*HEADER    HYDROLASE                               27-FEB-07   2OZW              
*TITLE     SOLUTION STRUCTURE OF HUMAN PHOSPHOHISTIDINE PHOSPHATASE 1            
*TITLE    2 WITH PHOSPHATE LIGAND                                                
*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: BL21DE3;                                   
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
*KEYWDS    ALPHA/BETA ARCHITECTURE, ADDITION OF PHOSPHATE LIGAND,                
*KEYWDS   2 HYDROLASE                                                            
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    W.GONG, G.CUI, C.JIN, B.XIA                                           
*REVDAT   1   25-MAR-08 2OZW    0                                                


# 1908 atoms read from pdb file sa_1_NE2.pdb.
# 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,
   rk2 =   50, rk3 =   50,    &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

# 79 ILE CHI1:  (79 ILE N)-(79 ILE CA)-(79 ILE CB)-(79 ILE CG1) -90.0 -30.0
 &rst     iat =  1166,  1168,  1170,  1176,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &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

# 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,
 &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 -109.0
 &rst     iat =   343,   345,   347,   362,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &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) 105.0 165.0
 &rst     iat =   587,   589,   607,   609,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 42 GLU PHI:  (41 LYS C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -169.0 -109.0
 &rst     iat =   607,   609,   611,   622,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &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) 115.0 155.0
 &rst     iat =   624,   626,   641,   643,
   r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
 &end

# 44 VAL PHI:  (43 ILE C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -159.0 -119.0
 &rst     iat =   641,   643,   645,   657,
   r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
 &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

#
#   105  SER  HN    104  ILE  QG2       3.5   (#     3:20  Unique)
 &rst
  ixpk= 3, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=1556,1557,1558,
 &end
#
#   104  ILE  HG1+  104  ILE  QG2       2.8   (#     4:20  Unique)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1560,1561,
 igr2=1556,1557,1558,
 &end
#
#   104  ILE  HA    104  ILE  QG2       2.8   (#     7:20  Unique)
 &rst
  ixpk= 7, 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       4.5   (#     8:20  Unique)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1622,1623,
 igr2=1556,1557,1558,
 &end
#
#   108  LYS  HE-   104  ILE  QG2       3.5   (#    11:20  Unique)
 &rst
  ixpk= 11, 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
#
#   104  ILE  HN    104  ILE  QG2       4.5   (#    12:20  Unique)
 &rst
  ixpk= 12, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1556,1557,1558,
 &end
#
#    10  PRO  HD-     9  ILE  QG2       4.5   (#    13:20  Unique)
 &rst
  ixpk= 13, 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
#
#     0  AMB  20-2:14   0  AMB  20-1:14     4.5   (#    14:20  Double)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1550, 117,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#   107  GLU  HN    104  ILE  QG2       5.5   (#    16:20  Unique)
 &rst
  ixpk= 16, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1556,1557,1558,
 &end
#
#     0  AMB  20-2:17   0  AMB  20-1:17     2.8   (#    17:20  Double)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1560,1561, 127, 128,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#     0  AMB  20-2:18   0  AMB  20-1:18     5.5   (#    18:20  Double)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  71,1573, 670, 671,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#     9  ILE  HA      9  ILE  QG2       3.5   (#    19:20  Unique)
 &rst
  ixpk= 19, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 123, 124, 125,
 &end
#
#    41  LYS  HE+     9  ILE  QG2       5.5   (#    20:20  Unique)
 &rst
  ixpk= 20, 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  20-2:21   0  AMB  20-1:21     4.5   (#    21:20  Double)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1616,1617,1619,1620, 598, 599,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#     9  ILE  HB      9  ILE  QG2       2.8   (#    22:20  Unique)
 &rst
  ixpk= 22, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 123, 124, 125,
 &end
#
#     0  AMB  20-2:23 104  ILE  QG2       2.8   (#    23:20  Single)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1554, 614, 615, 617, 618,
 igr2=1556,1557,1558,
 &end
#
#     0  AMB  20-2:24   0  AMB  20-1:24     3.5   (#    24:20  Double)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 974, 975, 976,1554, 614, 615,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#     0  AMB  20-2:25   9  ILE  QG2       5.5   (#    25:20  Single)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 140, 141,1023,
 igr2= 123, 124, 125,
 &end
#
#    42  GLU  HG+   104  ILE  QG2       4.5   (#    27:20  Unique)
 &rst
  ixpk= 27, 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
#
#     0  AMB  20-2:28 104  ILE  QG2       4.5   (#    28:20  Single)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 617, 618,1598,1599,
 igr2=1556,1557,1558,
 &end
#
#    41  LYS  HE-     9  ILE  QG2       4.5   (#    29:20  Unique)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 601, 602,
 igr2= 123, 124, 125,
 &end
#
#   107  GLU  HN    104  ILE  QG2       5.5   (#    30:20  Unique)
 &rst
  ixpk= 30, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1556,1557,1558,
 &end
#
#     0  AMB  20-2:32   9  ILE  QG2       4.5   (#    32:20  Single)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 635, 636, 595, 596, 923, 924, 925, 927, 928, 929,
      
 igr2= 123, 124, 125,
 &end
#
#     0  AMB  20-2:33   9  ILE  QG2       4.5   (#    33:20  Single)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 635, 636, 923, 924, 925, 927, 928, 929,
 igr2= 123, 124, 125,
 &end
#
#     0  AMB  20-2:34   0  AMB  20-1:34     4.5   (#    34:20  Double)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 353, 635, 636,  51,  52,  53,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#    24  LEU  HG    104  ILE  QG2       4.5   (#    35:20  Unique)
 &rst
  ixpk= 35, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1556,1557,1558,
 &end
#
#     0  AMB  20-2:36 104  ILE  QG2       3.5   (#    36:20  Single)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1560,1561,1619,1620,
 igr2=1556,1557,1558,
 &end
#
#     9  ILE  HG1-    9  ILE  QG2       3.5   (#    37:20  Unique)
 &rst
  ixpk= 37, 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
#
#     0  AMB  20-2:38 104  ILE  QG2       3.5   (#    38:20  Single)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 614, 615,1619,1620,
 igr2=1556,1557,1558,
 &end
#
#    10  PRO  HD+     9  ILE  QG2       4.5   (#    41:20  Unique)
 &rst
  ixpk= 41, 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
#
#    26  ARG  HN     25  ILE  QG2       4.5   (#    44:20  Unique)
 &rst
  ixpk= 44, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#    57  TYR  HE     25  ILE  QG2       3.5   (#    45:20  Unique)
 &rst
  ixpk= 45, 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
#
#    71  CYS  HA     25  ILE  QG2       4.5   (#    46:20  Unique)
 &rst
  ixpk= 46, nxpk= 20, iat=1068,  -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   (#    48:20  Unique)
 &rst
  ixpk= 48, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#     0  AMB  20-2:49  25  ILE  QG2       2.8   (#    49:20  Single)
 &rst
  ixpk= 49, 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
#
#    71  CYS  HB3    25  ILE  QG2       3.5   (#    50:20  Unique)
 &rst
  ixpk= 50, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#    27  VAL  HA     25  ILE  QG2       4.5   (#    51:20  Unique)
 &rst
  ixpk= 51, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#    43  ILE  HN     25  ILE  QG2       5.5   (#    52:20  Unique)
 &rst
  ixpk= 52, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#    71  CYS  HB2    25  ILE  QG2       3.5   (#    53:20  Unique)
 &rst
  ixpk= 53, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#    73  CYS  HA     25  ILE  QG2       5.5   (#    54:20  Unique)
 &rst
  ixpk= 54, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#    43  ILE  QD1    25  ILE  QG2       3.5   (#    55:20  Unique)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639, 640,
 igr2= 371, 372, 373,
 &end
#
#    57  TYR  HD     25  ILE  QG2       4.5   (#    56:20  Unique)
 &rst
  ixpk= 56, 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
#
#     0  AMB  20-2:57  25  ILE  QG2       5.5   (#    57:20  Single)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1081,1082, 629, 974, 975, 976,
 igr2= 371, 372, 373,
 &end
#
#     0  AMB  20-2:58  14  ILE  QG2       2.8   (#    58:20  Single)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 200, 201, 168, 169, 170, 172, 173, 174,
 igr2= 196, 197, 198,
 &end
#
#    25  ILE  HN     25  ILE  QG2       4.5   (#    59:20  Unique)
 &rst
  ixpk= 59, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#    14  ILE  HN     14  ILE  QG2       4.5   (#    60:20  Unique)
 &rst
  ixpk= 60, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 196, 197, 198,
 &end
#
#    14  ILE  QG2    12  VAL  HA         7.0   (#    61:20)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 196, 197, 198,
 &end
#
#    13  ASP  HN     14  ILE  QG2       4.5   (#    62:20  Unique)
 &rst
  ixpk= 62, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 196, 197, 198,
 &end
#
#    79  ILE  QD1    14  ILE  QG2       2.8   (#    64:20  Unique)
 &rst
  ixpk= 64, 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
#
#    14  ILE  HG1+   14  ILE  QG2       3.5   (#    66:20  Unique)
 &rst
  ixpk= 66, 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
#
#     0  AMB  20-2:67  14  ILE  QG2       2.8   (#    67:20  Single)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 192, 662,
 igr2= 196, 197, 198,
 &end
#
#    46  GLY  HN     14  ILE  QG2       3.5   (#    69:20  Unique)
 &rst
  ixpk= 69, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 196, 197, 198,
 &end
#
#     0  AMB  20-2:70  14  ILE  QG2       4.5   (#    70:20  Single)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 686, 687, 670, 671,
 igr2= 196, 197, 198,
 &end
#
#    14  ILE  HB     14  ILE  QG2       3.5   (#    72:20  Unique)
 &rst
  ixpk= 72, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 196, 197, 198,
 &end
#
#     0  AMB  20-2:74  14  ILE  QG2       4.5   (#    74:20  Single)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1173,1174,1175,1177,1178,
 igr2= 196, 197, 198,
 &end
#
#    88  ILE  HA     79  ILE  QG2       5.5   (#    75:20  Unique)
 &rst
  ixpk= 75, nxpk= 20, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#    79  ILE  HG1-   79  ILE  QG2       4.5   (#    76:20  Unique)
 &rst
  ixpk= 76, 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
#
#     0  AMB  20-2:77  79  ILE  QG2       2.8   (#    77:20  Single)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1321,1322,1323,1171,1357,1358,1359,1361,1362,1363,
      
 igr2=1173,1174,1175,
 &end
#
#    79  ILE  QD1    79  ILE  QG2       2.8   (#    79:20  Unique)
 &rst
  ixpk= 79, 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
#
#    80  SER  HN     79  ILE  QG2       4.5   (#    81:20  Unique)
 &rst
  ixpk= 81, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1173,1174,1175,
 &end
#
#    79  ILE  HN     79  ILE  QG2       5.5   (#    82:20  Unique)
 &rst
  ixpk= 82, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#    79  ILE  HA     79  ILE  QG2       3.5   (#    83:20  Unique)
 &rst
  ixpk= 83, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1173,1174,1175,
 &end
#
#   101  GLN  HB+   103  ALA  MB        4.5   (#    85:20  Unique)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1510,1511,
 igr2=1544,1545,1546,
 &end
#
#   110  LYS  HN    111  ALA  MB        5.5   (#    86:20  Unique)
 &rst
  ixpk= 86, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1676,1677,1678,
 &end
#
#     0  AMB  20-2:88 111  ALA  MB        2.8   (#    88:20  Single)
 &rst
  ixpk= 88, 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
#
#   113  TYR  HN    111  ALA  MB        5.5   (#    89:20  Unique)
 &rst
  ixpk= 89, nxpk= 20, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1676,1677,1678,
 &end
#
#   112  LYS  HN    111  ALA  MB        3.5   (#    90:20  Unique)
 &rst
  ixpk= 90, 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   (#    91:20  Unique)
 &rst
  ixpk= 91, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1676,1677,1678,
 &end
#
#    79  ILE  HA     79  ILE  QG2       5.5   (#    92:20  Unique)
 &rst
  ixpk= 92, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#   120  TRP  HD1   103  ALA  MB        5.5   (#    93:20  Unique)
 &rst
  ixpk= 93, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1544,1545,1546,
 &end
#
#   104  ILE  HG1-  103  ALA  MB        4.5   (#    96:20  Unique)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1560,1561,
 igr2=1544,1545,1546,
 &end
#
#   120  TRP  HE1   103  ALA  MB        3.5   (#    97:20  Unique)
 &rst
  ixpk= 97, nxpk= 20, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#   104  ILE  HN    103  ALA  MB        3.5   (#    98:20  Unique)
 &rst
  ixpk= 98, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#   103  ALA  HA    103  ALA  MB        2.8   (#    99:20  Unique)
 &rst
  ixpk= 99, nxpk= 20, iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1544,1545,1546,
 &end
#
#   103  ALA  HN    103  ALA  MB        3.5   (#   100:20  Unique)
 &rst
  ixpk= 100, nxpk= 20, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#   120  TRP  HZ2   103  ALA  MB        3.5   (#   101:20  Unique)
 &rst
  ixpk= 101, nxpk= 20, iat=1830,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#     8  LEU  MDY     7  ALA  MB        4.5   (#   103:20  Unique)
 &rst
  ixpk= 103, 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
#
#     7  ALA  HA      7  ALA  MB        2.8   (#   104:20  Unique)
 &rst
  ixpk= 104, nxpk= 20, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
#     0  AMB  20-2:105 103  ALA  MB        5.5   (#   105:20  Single)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1832,1594,1834,
 igr2=1544,1545,1546,
 &end
#
#     8  LEU  HN      7  ALA  MB        3.5   (#   106:20  Unique)
 &rst
  ixpk= 106, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#     7  ALA  HN      7  ALA  MB        2.8   (#   107:20  Unique)
 &rst
  ixpk= 107, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
#     8  LEU  HA      7  ALA  MB        4.5   (#   108:20  Unique)
 &rst
  ixpk= 108, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 &end
#
#     0  AMB  20-2:109 103  ALA  MB        4.5   (#   109:20  Single)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1513,1514,1598,1599,
 igr2=1544,1545,1546,
 &end
#
#     0  AMB  20-2:111   0  AMB  20-1:111     5.5   (#   111:20  Double)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 511,  69, 441,
 igr2= 456, 457, 458,  92,  93,  94,
 &end
#
#     0  AMB  20-2:113  30  ALA  MB        4.5   (#   113:20  Single)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 443, 478,
 igr2= 456, 457, 458,
 &end
#
#     8  LEU  MDX     7  ALA  MB        3.5   (#   115:20  Unique)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2=  92,  93,  94,
 &end
#
#    31  PRO  HB+    35  ALA  MB        5.5   (#   116:20  Unique)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 469, 470,
 igr2= 522, 523, 524,
 &end
#
#     0  AMB  20-2:117   0  AMB  20-1:117     5.5   (#   117:20  Double)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 472, 538,
 igr2= 522, 523, 524, 456, 457, 458,
 &end
#
#    87  LYS  HG-    88  ILE  QG2       5.5   (#   118:20  Unique)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1301,
 igr2=1321,1322,1323,
 &end
#
#   118  VAL  MGY    88  ILE  QG2       4.5   (#   119:20  Unique)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1321,1322,1323,
 &end
#
#     0  AMB  20-2:120  35  ALA  MB        3.5   (#   120:20  Single)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 463, 464, 529, 530,
 igr2= 522, 523, 524,
 &end
#
#    44  VAL  HN     43  ILE  QG2       4.5   (#   121:20  Unique)
 &rst
  ixpk= 121, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 631, 632, 633,
 &end
#
#    41  LYS  HD+    43  ILE  QG2       3.5   (#   122:20  Unique)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 598, 599,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:123  35  ALA  MB        3.5   (#   123:20  Single)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 463, 464, 529, 530,
 igr2= 522, 523, 524,
 &end
#
#    11  ASP  HA     43  ILE  QG2       2.8   (#   124:20  Unique)
 &rst
  ixpk= 124, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  HA     43  ILE  QG2       2.8   (#   125:20  Unique)
 &rst
  ixpk= 125, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#    41  LYS  HE+    43  ILE  QG2       3.5   (#   126:20  Unique)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602,
 igr2= 631, 632, 633,
 &end
#
#    42  GLU  HA     43  ILE  QG2       4.5   (#   127:20  Unique)
 &rst
  ixpk= 127, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:130  43  ILE  QG2       3.5   (#   130:20  Single)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 121, 592, 593, 412,
 igr2= 631, 632, 633,
 &end
#
#    28  HIS  HB3    30  ALA  MB        5.5   (#   132:20  Unique)
 &rst
  ixpk= 132, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 456, 457, 458,
 &end
#
#    41  LYS  HD-    43  ILE  QG2       4.5   (#   133:20  Unique)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 598, 599,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:135  43  ILE  QG2       2.8   (#   135:20  Single)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 595, 596, 635, 636,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  QD1    43  ILE  QG2       2.8   (#   136:20  Unique)
 &rst
  ixpk= 136, 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
#
#    43  ILE  HB     43  ILE  QG2       2.8   (#   137:20  Unique)
 &rst
  ixpk= 137, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#    41  LYS  HE-    43  ILE  QG2       3.5   (#   139:20  Unique)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602,
 igr2= 631, 632, 633,
 &end
#
#    45  ARG  HE     43  ILE  QG2       5.5   (#   140:20  Unique)
 &rst
  ixpk= 140, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 631, 632, 633,
 &end
#
#    43  ILE  HG1-   43  ILE  QG2       3.5   (#   141:20  Unique)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 635, 636,
 igr2= 631, 632, 633,
 &end
#
#     0  AMB  20-2:142  54  ALA  MB        5.5   (#   142:20  Single)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 883,1444,
 igr2= 825, 826, 827,
 &end
#
#    79  ILE  QG2    88  ILE  QG2       2.8   (#   144:20  Unique)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1173,1174,1175,
 igr2=1321,1322,1323,
 &end
#
#    88  ILE  HA     88  ILE  QG2       4.5   (#   145:20  Unique)
 &rst
  ixpk= 145, nxpk= 20, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1321,1322,1323,
 &end
#
#     0  AMB  20-2:146   0  AMB  20-1:146     2.8   (#   146:20  Double)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 520, 454,
 igr2= 522, 523, 524, 456, 457, 458,
 &end
#
#    52  TYR  HB-    54  ALA  MB        3.5   (#   148:20  Unique)
 &rst
  ixpk= 148, 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
#
#    52  TYR  HD     54  ALA  MB        5.5   (#   149:20  Unique)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 791, 800,
 igr2= 825, 826, 827,
 &end
#
#    43  ILE  HN     43  ILE  QG2       3.5   (#   150:20  Unique)
 &rst
  ixpk= 150, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 631, 632, 633,
 &end
#
#    57  TYR  HB3    54  ALA  MB        4.5   (#   151:20  Unique)
 &rst
  ixpk= 151, nxpk= 20, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 825, 826, 827,
 &end
#
#    97  TYR  HD     96  ALA  MB        5.5   (#   153:20  Unique)
 &rst
  ixpk= 153, 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
#
#     0  AMB  20-2:154  54  ALA  MB        5.5   (#   154:20  Single)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 793, 798, 870, 879,1462,1471,
 igr2= 825, 826, 827,
 &end
#
#    55  ASP  HA     54  ALA  MB        5.5   (#   155:20  Unique)
 &rst
  ixpk= 155, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 825, 826, 827,
 &end
#
#    54  ALA  HN     54  ALA  MB        2.8   (#   156:20  Unique)
 &rst
  ixpk= 156, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 825, 826, 827,
 &end
#
#    54  ALA  HA     54  ALA  MB        2.8   (#   158:20  Unique)
 &rst
  ixpk= 158, nxpk= 20, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 825, 826, 827,
 &end
#
#    35  ALA  HA     35  ALA  MB        2.8   (#   159:20  Unique)
 &rst
  ixpk= 159, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 522, 523, 524,
 &end
#
#     0  AMB  20-2:160  54  ALA  MB        4.5   (#   160:20  Single)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 787, 788,1434,1435,
 igr2= 825, 826, 827,
 &end
#
#    57  TYR  HN     54  ALA  MB        5.5   (#   161:20  Unique)
 &rst
  ixpk= 161, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 825, 826, 827,
 &end
#
#    55  ASP  HN     54  ALA  MB        3.5   (#   162:20  Unique)
 &rst
  ixpk= 162, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 825, 826, 827,
 &end
#
#     0  AMB  20-2:163  35  ALA  MB        2.8   (#   163:20  Single)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 463, 464, 529, 530,
 igr2= 522, 523, 524,
 &end
#
#    97  TYR  HE     54  ALA  MB        3.5   (#   164:20  Unique)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1464,1469,
 igr2= 825, 826, 827,
 &end
#
#    35  ALA  HN     35  ALA  MB        3.5   (#   165:20  Unique)
 &rst
  ixpk= 165, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 522, 523, 524,
 &end
#
#    96  ALA  MB     54  ALA  MB        3.5   (#   166:20  Unique)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1448,1449,1450,
 igr2= 825, 826, 827,
 &end
#
#    96  ALA  HN     96  ALA  MB        4.5   (#   167:20  Unique)
 &rst
  ixpk= 167, nxpk= 20, iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1448,1449,1450,
 &end
#
#    97  TYR  HE     96  ALA  MB        5.5   (#   168:20  Unique)
 &rst
  ixpk= 168, 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
#
#    54  ALA  MB     96  ALA  MB        4.5   (#   169:20  Unique)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 825, 826, 827,
 igr2=1448,1449,1450,
 &end
#
#    96  ALA  HA     96  ALA  MB        2.8   (#   170:20  Unique)
 &rst
  ixpk= 170, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1448,1449,1450,
 &end
#
#    97  TYR  HN     96  ALA  MB        4.5   (#   173:20  Unique)
 &rst
  ixpk= 173, nxpk= 20, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1448,1449,1450,
 &end
#
#    97  TYR  HA     96  ALA  MB        5.5   (#   174:20  Unique)
 &rst
  ixpk= 174, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1448,1449,1450,
 &end
#
#    31  PRO  HB+    35  ALA  MB        5.5   (#   175:20  Unique)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 469, 470,
 igr2= 522, 523, 524,
 &end
#
#     0  AMB  20-2:176  35  ALA  MB        4.5   (#   176:20  Single)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 472, 538,
 igr2= 522, 523, 524,
 &end
#
#    45  ARG  HN     56  ILE  QG2       5.5   (#   177:20  Unique)
 &rst
  ixpk= 177, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#    46  GLY  HA+    56  ILE  QG2       5.5   (#   178:20  Unique)
 &rst
  ixpk= 178, 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  HB2    56  ILE  QG2       3.5   (#   179:20  Unique)
 &rst
  ixpk= 179, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 849, 850, 851,
 &end
#
#    47  TYR  HE     56  ILE  QG2       3.5   (#   181:20  Unique)
 &rst
  ixpk= 181, 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   (#   182:20  Unique)
 &rst
  ixpk= 182, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 849, 850, 851,
 &end
#
#    47  TYR  HD     56  ILE  QG2       3.5   (#   183:20  Unique)
 &rst
  ixpk= 183, 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
#
#    56  ILE  HG1-    0  AMB  20-1:184     2.8   (#   184:20  Single)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 853, 854,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#    60  VAL  MGY    56  ILE  QG2       2.8   (#   185:20  Unique)
 &rst
  ixpk= 185, 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= 849, 850, 851,
 &end
#
#    47  TYR  HN      0  AMB  20-1:186     5.5   (#   186:20  Single)
 &rst
  ixpk= 186, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#    23  VAL  HN     56  ILE  QG2       5.5   (#   187:20  Unique)
 &rst
  ixpk= 187, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#    49  TRP  HZ3    50  ALA  MB        4.5   (#   188:20  Unique)
 &rst
  ixpk= 188, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 762, 763, 764,
 &end
#
#    57  TYR  HN     56  ILE  QG2       4.5   (#   189:20  Unique)
 &rst
  ixpk= 189, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 849, 850, 851,
 &end
#
#    56  ILE  HB     56  ILE  QG2       2.8   (#   190:20  Unique)
 &rst
  ixpk= 190, nxpk= 20, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:191 100  ALA  MB        5.5   (#   191:20  Single)
 &rst
  ixpk= 191, 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
#
#     0  AMB  20-2:193   0  AMB  20-1:193     3.5   (#   193:20  Double)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 853, 854, 853, 854,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#     0  AMB  20-2:194  56  ILE  QG2       4.5   (#   194:20  Single)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 665, 902, 903,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:195  56  ILE  QG2       5.5   (#   195:20  Single)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 667, 668, 291,
 igr2= 849, 850, 851,
 &end
#
#    60  VAL  HB     56  ILE  QG2       4.5   (#   196:20  Unique)
 &rst
  ixpk= 196, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 849, 850, 851,
 &end
#
#     0  AMB  20-2:197   0  AMB  20-1:197     5.5   (#   197:20  Double)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 311, 693,
 igr2= 849, 850, 851, 762, 763, 764,
 &end
#
#    75  GLY  HN    100  ALA  MB        4.5   (#   198:20  Unique)
 &rst
  ixpk= 198, nxpk= 20, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    99  PRO  HA    100  ALA  MB        4.5   (#   199:20  Unique)
 &rst
  ixpk= 199, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    60  VAL  HN     56  ILE  QG2       5.5   (#   200:20  Unique)
 &rst
  ixpk= 200, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#   102  HIS  HD2   100  ALA  MB        4.5   (#   201:20  Unique)
 &rst
  ixpk= 201, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:203 100  ALA  MB        3.5   (#   203:20  Single)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,1525,
 igr2=1500,1501,1502,
 &end
#
#    73  CYS  HB-   100  ALA  MB        5.5   (#   204:20  Unique)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1096,1097,
 igr2=1500,1501,1502,
 &end
#
#    77  GLY  HA+   100  ALA  MB        5.5   (#   205:20  Unique)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1138,1139,
 igr2=1500,1501,1502,
 &end
#
#   100  ALA  HA    100  ALA  MB        2.8   (#   208:20  Unique)
 &rst
  ixpk= 208, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1500,1501,1502,
 &end
#
#    23  VAL  HA    100  ALA  MB        4.5   (#   209:20  Unique)
 &rst
  ixpk= 209, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    56  ILE  HN      0  AMB  20-1:211     4.5   (#   211:20  Single)
 &rst
  ixpk= 211, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#   101  GLN  HN    100  ALA  MB        2.8   (#   212:20  Unique)
 &rst
  ixpk= 212, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1500,1501,1502,
 &end
#
#   100  ALA  HN    100  ALA  MB        2.8   (#   214:20  Unique)
 &rst
  ixpk= 214, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1500,1501,1502,
 &end
#
#    24  LEU  HB-   100  ALA  MB        2.8   (#   215:20  Unique)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 350, 351,
 igr2=1500,1501,1502,
 &end
#
#     2  ALA  HN      2  ALA  MB        4.5   (#   216:20  Unique)
 &rst
  ixpk= 216, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#   101  GLN  HG-   100  ALA  MB        4.5   (#   217:20  Unique)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1513,1514,
 igr2=1500,1501,1502,
 &end
#
#    49  TRP  HZ3     0  AMB  20-1:218     4.5   (#   218:20  Single)
 &rst
  ixpk= 218, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#    24  LEU  HA    100  ALA  MB        4.5   (#   219:20  Unique)
 &rst
  ixpk= 219, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    22  TYR  HE    100  ALA  MB        3.5   (#   220:20  Unique)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 319, 324,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:221 100  ALA  MB        3.5   (#   221:20  Single)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1131,1132,1124,1125,
 igr2=1500,1501,1502,
 &end
#
#    24  LEU  HB+   100  ALA  MB        3.5   (#   222:20  Unique)
 &rst
  ixpk= 222, 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
#
#   101  GLN  HB-   100  ALA  MB        4.5   (#   223:20  Unique)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1510,1511,
 igr2=1500,1501,1502,
 &end
#
#     0  AMB  20-2:224 100  ALA  MB        5.5   (#   224:20  Single)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1138,1139,1573,
 igr2=1500,1501,1502,
 &end
#
#     2  ALA  HA      2  ALA  MB        4.5   (#   226:20  Unique)
 &rst
  ixpk= 226, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#     0  AMB  20-2:227 100  ALA  MB        5.5   (#   227:20  Single)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1510,1511,1554,
 igr2=1500,1501,1502,
 &end
#
#    51  GLU  HB+    50  ALA  MB        5.5   (#   228:20  Unique)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 772, 773,
 igr2= 762, 763, 764,
 &end
#
#     3  VAL  HN      2  ALA  MB        4.5   (#   231:20  Unique)
 &rst
  ixpk= 231, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#   102  HIS  HN    100  ALA  MB        5.5   (#   233:20  Unique)
 &rst
  ixpk= 233, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1500,1501,1502,
 &end
#
#    76  GLY  HN    100  ALA  MB        4.5   (#   234:20  Unique)
 &rst
  ixpk= 234, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    55  ASP  HB3    50  ALA  MB        3.5   (#   235:20  Unique)
 &rst
  ixpk= 235, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#    43  ILE  QD1    64  MET  ME        2.8   (#   236:20  Unique)
 &rst
  ixpk= 236, 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
#
#     0  AMB  20-2:239  64  MET  ME        3.5   (#   239:20  Single)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1026,1027,1047,1024,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  HG-    64  MET  ME        3.5   (#   240:20  Unique)
 &rst
  ixpk= 240, 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
#
#    64  MET  HG+    64  MET  ME        2.8   (#   241:20  Unique)
 &rst
  ixpk= 241, 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
#
#     0  AMB  20-2:242  64  MET  ME        5.5   (#   242:20  Single)
 &rst
  ixpk= 242, 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
#
#    63  ASP  HB3    64  MET  ME        4.5   (#   243:20  Unique)
 &rst
  ixpk= 243, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#     0  AMB  20-2:244  64  MET  ME        4.5   (#   244:20  Single)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 919, 670, 671,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  HA     64  MET  ME        3.5   (#   245:20  Unique)
 &rst
  ixpk= 245, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 974, 975, 976,
 &end
#
#     0  AMB  20-2:246  64  MET  ME        2.8   (#   246:20  Single)
 &rst
  ixpk= 246, 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
#
#    67  GLN  HE2+   64  MET  ME        4.5   (#   247:20  Unique)
 &rst
  ixpk= 247, 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
#
#    67  GLN  HN     64  MET  ME        4.5   (#   248:20  Unique)
 &rst
  ixpk= 248, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#     0  AMB  20-2:249  64  MET  ME        5.5   (#   249:20  Single)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 980, 917,
 igr2= 974, 975, 976,
 &end
#
#    64  MET  HN     64  MET  ME        4.5   (#   250:20  Unique)
 &rst
  ixpk= 250, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#    60  VAL  MGX    64  MET  ME        2.8   (#   251:20  Unique)
 &rst
  ixpk= 251, 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
#
#     9  ILE  HG1+   64  MET  ME        3.5   (#   252:20  Unique)
 &rst
  ixpk= 252, 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
#
#     0  AMB  20-2:253   0  AMB  20-1:253     2.8   (#   253:20  Double)
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 544,  23,
 igr2= 546, 547, 548,  25,  26,  27,
 &end
#
#    47  TYR  HD     50  ALA  MB        5.5   (#   254:20  Unique)
 &rst
  ixpk= 254, 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  HN     50  ALA  MB        3.5   (#   256:20  Unique)
 &rst
  ixpk= 256, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#    50  ALA  HA     50  ALA  MB        2.8   (#   258:20  Unique)
 &rst
  ixpk= 258, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 762, 763, 764,
 &end
#
#     3  VAL  HA      2  ALA  MB        7.0   (#   259:20  Unique)
 &rst
  ixpk= 259, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  25,  26,  27,
 &end
#
#   119  THR  HN    119  THR  HB        4.5   (#   260:20  Unique)
 &rst
  ixpk= 260, nxpk= 20, iat=1803,1807, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    51  GLU  HN     50  ALA  MB        4.5   (#   262:20  Unique)
 &rst
  ixpk= 262, nxpk= 20, iat= 768,  -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   (#   264:20  Unique)
 &rst
  ixpk= 264, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 762, 763, 764,
 &end
#
#    52  TYR  HN     50  ALA  MB        5.5   (#   265:20  Unique)
 &rst
  ixpk= 265, nxpk= 20, iat= 783,  -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   (#   266:20  Unique)
 &rst
  ixpk= 266, nxpk= 20, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#    10  PRO  HD-    64  MET  ME        4.5   (#   267:20  Unique)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 137, 138,
 igr2= 974, 975, 976,
 &end
#
#   120  TRP  HN    119  THR  HB        2.8   (#   268:20  Unique)
 &rst
  ixpk= 268, nxpk= 20, iat=1817,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    56  ILE  HG1-   50  ALA  MB        2.8   (#   269:20  Unique)
 &rst
  ixpk= 269, 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
#
#    67  GLN  HE2-   64  MET  ME        5.5   (#   270:20  Unique)
 &rst
  ixpk= 270, 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
#
#    56  ILE  HG1+   50  ALA  MB        2.8   (#   271:20  Unique)
 &rst
  ixpk= 271, 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
#
#    60  VAL  MGY    64  MET  ME        4.5   (#   272:20  Unique)
 &rst
  ixpk= 272, 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
#
#   119  THR  MG2   119  THR  HB        2.8   (#   273:20  Unique)
 &rst
  ixpk= 273, 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   (#   274:20  Unique)
 &rst
  ixpk= 274, nxpk= 20, iat=1805,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    89  HIS  HE1   119  THR  HB        5.5   (#   277:20  Unique)
 &rst
  ixpk= 277, nxpk= 20, iat=1344,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    47  TYR  HN     50  ALA  MB        5.5   (#   279:20  Unique)
 &rst
  ixpk= 279, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 &end
#
#     0  AMB  20-2:283  50  ALA  MB        5.5   (#   283:20  Single)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 686, 687, 785,
 igr2= 762, 763, 764,
 &end
#
#     0  AMB  20-2:288   4  ALA  MB        4.5   (#   288:20  Single)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1021, 443,
 igr2=  51,  52,  53,
 &end
#
#     5  ASP  HN      4  ALA  MB        3.5   (#   290:20  Unique)
 &rst
  ixpk= 290, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#     4  ALA  HN      4  ALA  MB        2.8   (#   292:20  Unique)
 &rst
  ixpk= 292, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  51,  52,  53,
 &end
#
#     6  LEU  HN      4  ALA  MB        5.5   (#   293:20  Unique)
 &rst
  ixpk= 293, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#     4  ALA  HA      4  ALA  MB        2.8   (#   295:20  Unique)
 &rst
  ixpk= 295, nxpk= 20, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  51,  52,  53,
 &end
#
#     0  AMB  20-2:296  37  ALA  MB        5.5   (#   296:20  Single)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 569, 570, 569, 570,
 igr2= 546, 547, 548,
 &end
#
#     0  AMB  20-2:297  38  ALA  MB        5.5   (#   297:20  Single)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 569, 570, 569, 570, 535, 536,
 igr2= 556, 557, 558,
 &end
#
#    37  ALA  HA     37  ALA  MB        2.8   (#   299:20  Unique)
 &rst
  ixpk= 299, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 546, 547, 548,
 &end
#
#    36  PRO  HA     38  ALA  MB        5.5   (#   303:20  Unique)
 &rst
  ixpk= 303, nxpk= 20, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#     3  VAL  HA      4  ALA  MB        4.5   (#   304:20  Unique)
 &rst
  ixpk= 304, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    67  GLN  HB3     4  ALA  MB        3.5   (#   305:20  Unique)
 &rst
  ixpk= 305, nxpk= 20, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#     7  ALA  HN      4  ALA  MB        7.0   (#   306:20  Unique)
 &rst
  ixpk= 306, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#     0  AMB  20-2:307   4  ALA  MB        4.5   (#   307:20  Single)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 107, 108, 109, 111, 112, 113,  37,  38,  39,  41,
        42,  43,  37,  38,  39,  41,  42,  43,
 igr2=  51,  52,  53,
 &end
#
#    38  ALA  HN     37  ALA  MB        3.5   (#   308:20  Unique)
 &rst
  ixpk= 308, nxpk= 20, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 546, 547, 548,
 &end
#
#    29  SER  HN     38  ALA  MB        5.5   (#   309:20  Unique)
 &rst
  ixpk= 309, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#    37  ALA  HN     38  ALA  MB        5.5   (#   311:20  Unique)
 &rst
  ixpk= 311, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#    68  GLY  HA-     4  ALA  MB        7.0   (#   312:20  Unique)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1038,1039,
 igr2=  51,  52,  53,
 &end
#
#    38  ALA  HN     38  ALA  MB        2.8   (#   313:20  Unique)
 &rst
  ixpk= 313, nxpk= 20, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 556, 557, 558,
 &end
#
#    38  ALA  HA     38  ALA  MB        2.8   (#   314:20  Unique)
 &rst
  ixpk= 314, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 556, 557, 558,
 &end
#
#     0  AMB  20-2:316  37  ALA  MB        5.5   (#   316:20  Single)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  69, 441,
 igr2= 546, 547, 548,
 &end
#
#    39  GLU  HA     38  ALA  MB        5.5   (#   317:20  Unique)
 &rst
  ixpk= 317, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#    37  ALA  HN     37  ALA  MB        3.5   (#   318:20  Unique)
 &rst
  ixpk= 318, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 546, 547, 548,
 &end
#
#    28  HIS  HB3    38  ALA  MB        5.5   (#   319:20  Unique)
 &rst
  ixpk= 319, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#     0  AMB  20-2:320   4  ALA  MB        4.5   (#   320:20  Single)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 130, 131, 132, 107, 108, 109, 111, 112, 113,
 igr2=  51,  52,  53,
 &end
#
#     0  AMB  20-2:328 109  ILE  QG2       2.8   (#   328:20  Single)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1637,1638,1639,
 &end
#
#   109  ILE  QD1   109  ILE  QG2       3.5   (#   330:20  Unique)
 &rst
  ixpk= 330, 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
#
#   109  ILE  HN    109  ILE  QG2       5.5   (#   331:20  Unique)
 &rst
  ixpk= 331, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1637,1638,1639,
 &end
#
#   109  ILE  HA    109  ILE  QG2       4.5   (#   332:20  Unique)
 &rst
  ixpk= 332, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#   109  ILE  HB    109  ILE  QG2       4.5   (#   335:20  Unique)
 &rst
  ixpk= 335, nxpk= 20, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#   109  ILE  HG1+  109  ILE  QG2       5.5   (#   336:20  Unique)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,
 igr2=1637,1638,1639,
 &end
#
#    24  LEU  HN     23  VAL  MGY       5.5   (#   337:20  Unique)
 &rst
  ixpk= 337, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:339  23  VAL  MGY       5.5   (#   339:20  Single)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 862,1129,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    45  ARG  HB2    23  VAL  MGY       3.5   (#   340:20  Unique)
 &rst
  ixpk= 340, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:341  23  VAL  MGY       2.8   (#   341:20  Single)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 334, 847,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:342  23  VAL  MGY       3.5   (#   342:20  Single)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1096,1097, 923, 924, 925, 927, 928, 929,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    23  VAL  HA     23  VAL  MGY       4.5   (#   343:20  Unique)
 &rst
  ixpk= 343, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    57  TYR  HD     23  VAL  MGY       4.5   (#   344:20  Unique)
 &rst
  ixpk= 344, 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
#
#    23  VAL  HN     23  VAL  MGY       3.5   (#   345:20  Unique)
 &rst
  ixpk= 345, 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
#
#    60  VAL  HB     23  VAL  MGY       5.5   (#   347:20  Unique)
 &rst
  ixpk= 347, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    45  ARG  HN     23  VAL  MGY       4.5   (#   348:20  Unique)
 &rst
  ixpk= 348, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:349  23  VAL  MGY       4.5   (#   349:20  Single)
 &rst
  ixpk= 349, 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
#
#     0  AMB  20-2:350  23  VAL  MGY       3.5   (#   350:20  Single)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 375, 376, 853, 854,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    57  TYR  HB2    23  VAL  MGY       5.5   (#   351:20  Unique)
 &rst
  ixpk= 351, 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
#
#    22  TYR  HA     23  VAL  MGY       5.5   (#   352:20  Unique)
 &rst
  ixpk= 352, 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
#
#     0  AMB  20-2:354   3  VAL  MGX       5.5   (#   354:20  Single)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1038,1039, 529, 530, 463, 464,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    56  ILE  HG1+   23  VAL  MGY       5.5   (#   355:20  Unique)
 &rst
  ixpk= 355, 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
#
#    32  ARG  HG+     3  VAL  MGX       4.5   (#   356:20  Unique)
 &rst
  ixpk= 356, 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
#
#     3  VAL  HN      3  VAL  MGX       3.5   (#   359:20  Unique)
 &rst
  ixpk= 359, 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  HB      3  VAL  MGX       2.8   (#   361:20  Unique)
 &rst
  ixpk= 361, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#     2  ALA  HA      3  VAL  MGX       5.5   (#   362:20  Unique)
 &rst
  ixpk= 362, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    35  ALA  MB      3  VAL  MGX       3.5   (#   363:20  Unique)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523, 524,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    67  GLN  HB3     3  VAL  MGX       5.5   (#   364:20  Unique)
 &rst
  ixpk= 364, nxpk= 20, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#     3  VAL  HA      3  VAL  MGX       3.5   (#   367:20  Unique)
 &rst
  ixpk= 367, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#   105  SER  HA     44  VAL  MGX       5.5   (#   370:20  Unique)
 &rst
  ixpk= 370, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HB3    44  VAL  MGX       5.5   (#   372:20  Unique)
 &rst
  ixpk= 372, 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
#
#    45  ARG  HN     44  VAL  MGX       3.5   (#   373:20  Unique)
 &rst
  ixpk= 373, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    22  TYR  HD     44  VAL  MGX       5.5   (#   375:20  Unique)
 &rst
  ixpk= 375, 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
#
#    79  ILE  QD1    44  VAL  MGX       3.5   (#   376:20  Unique)
 &rst
  ixpk= 376, 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
#
#     0  AMB  20-2:378  44  VAL  MGX       5.5   (#   378:20  Single)
 &rst
  ixpk= 378, 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
#
#   109  ILE  QD1    44  VAL  MGX       2.8   (#   379:20  Unique)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1644,1645,1646,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    79  ILE  HG1-   44  VAL  MGX       5.5   (#   380:20  Unique)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1177,1178,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   102  HIS  HD2    44  VAL  MGX       5.5   (#   381:20  Unique)
 &rst
  ixpk= 381, 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
#
#    44  VAL  HN     44  VAL  MGX       4.5   (#   382:20  Unique)
 &rst
  ixpk= 382, 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
#
#    22  TYR  HB+    44  VAL  MGX       5.5   (#   385:20  Unique)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 313, 314,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    12  VAL  HA     44  VAL  MGX       4.5   (#   386:20  Unique)
 &rst
  ixpk= 386, 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
#
#    20  PHE  HN     19  VAL  MG2       4.5   (#   388:20  Unique)
 &rst
  ixpk= 388, nxpk= 20, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 261, 262, 263,
 &end
#
#     0  AMB  20-2:389  44  VAL  MGX       2.8   (#   389:20  Single)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 648,1554,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    20  PHE  HA     19  VAL  MG2       7.0   (#   390:20  Unique)
 &rst
  ixpk= 390, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 261, 262, 263,
 &end
#
#    19  VAL  HN     19  VAL  MG2       3.5   (#   391:20  Unique)
 &rst
  ixpk= 391, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 261, 262, 263,
 &end
#
#    19  VAL  HA     19  VAL  MG2       2.8   (#   392:20  Unique)
 &rst
  ixpk= 392, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 261, 262, 263,
 &end
#
#     0  AMB  20-2:393   0  AMB  20-1:393     5.5   (#   393:20  Double)
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 478, 332,1021,
 igr2=  37,  38,  39,  41,  42,  43, 650, 651, 652, 654,
       655, 656,
 &end
#
#    80  SER  HB+    19  VAL  MG2       3.5   (#   396:20  Unique)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,
 igr2= 261, 262, 263,
 &end
#
#     0  AMB  20-2:397   0  AMB  20-1:397     2.8   (#   397:20  Double)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 480, 481, 469, 470, 648, 255,
 igr2=  37,  38,  39,  41,  42,  43, 650, 651, 652, 654,
       655, 656, 261, 262, 263,
 &end
#
#    13  ASP  HN     44  VAL  MGX       5.5   (#   399:20  Unique)
 &rst
  ixpk= 399, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:401   0  AMB  20-1:401     2.8   (#   401:20  Double)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  35, 847,
 igr2=  37,  38,  39,  41,  42,  43, 923, 924, 925, 927,
       928, 929,
 &end
#
#     3  VAL  HN      3  VAL  MGY       4.5   (#   402:20  Unique)
 &rst
  ixpk= 402, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    78  ARG  HD-    19  VAL  MG1       4.5   (#   404:20  Unique)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1153,1154,
 igr2= 257, 258, 259,
 &end
#
#    91  TYR  HE     19  VAL  MG1       5.5   (#   406:20  Unique)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1377,1382,
 igr2= 257, 258, 259,
 &end
#
#   119  THR  HA    118  VAL  MGY       5.5   (#   407:20  Unique)
 &rst
  ixpk= 407, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:408  90  VAL  MGY       4.5   (#   408:20  Single)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     3  VAL  HA      3  VAL  MGY       3.5   (#   409:20  Unique)
 &rst
  ixpk= 409, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    78  ARG  HD+    19  VAL  MG1       5.5   (#   410:20  Unique)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1153,1154,
 igr2= 257, 258, 259,
 &end
#
#    26  ARG  HB2    74  LEU  MDY       4.5   (#   411:20  Unique)
 &rst
  ixpk= 411, 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
#
#    88  ILE  HN    118  VAL  MGY       4.5   (#   412:20  Unique)
 &rst
  ixpk= 412, nxpk= 20, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    19  VAL  HA     19  VAL  MG1       3.5   (#   416:20  Unique)
 &rst
  ixpk= 416, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 257, 258, 259,
 &end
#
#    91  TYR  HN     90  VAL  MGY       5.5   (#   417:20  Unique)
 &rst
  ixpk= 417, 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
#
#    78  ARG  HG+    19  VAL  MG1       3.5   (#   418:20  Unique)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1150,1151,
 igr2= 257, 258, 259,
 &end
#
#     0  AMB  20-2:419  90  VAL  MGY       4.5   (#   419:20  Single)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1821,1822,1821,1822, 313, 314,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:421   0  AMB  20-1:421     2.8   (#   421:20  Double)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 255,1660,1661,
 igr2= 257, 258, 259,1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:422   0  AMB  20-1:422     4.5   (#   422:20  Double)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1351, 251,
 igr2=1793,1794,1795,1797,1798,1799, 257, 258, 259,
 &end
#
#    20  PHE  HA     19  VAL  MG1       5.5   (#   425:20  Unique)
 &rst
  ixpk= 425, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 257, 258, 259,
 &end
#
#    20  PHE  HN     19  VAL  MG1       3.5   (#   426:20  Unique)
 &rst
  ixpk= 426, nxpk= 20, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 257, 258, 259,
 &end
#
#    74  LEU  HB2    74  LEU  MDY       3.5   (#   427:20  Unique)
 &rst
  ixpk= 427, 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
#
#   106  THR  HA     90  VAL  MGY       5.5   (#   429:20  Unique)
 &rst
  ixpk= 429, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:430   0  AMB  20-1:430     4.5   (#   430:20  Double)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 935,1038,1039,
 igr2= 923, 924, 925, 927, 928, 929,  37,  38,  39,  41,
        42,  43,
 &end
#
#     0  AMB  20-2:431   0  AMB  20-1:431     3.5   (#   431:20  Double)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 667, 668, 522, 523, 524,1616,1617,
 igr2= 923, 924, 925, 927, 928, 929,  37,  38,  39,  41,
        42,  43, 650, 651, 652, 654, 655, 656,
 &end
#
#    90  VAL  HB     90  VAL  MGY       3.5   (#   432:20  Unique)
 &rst
  ixpk= 432, 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
#
#     0  AMB  20-2:433  74  LEU  MDY       2.8   (#   433:20  Single)
 &rst
  ixpk= 433, 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
#
#    79  ILE  QD1    90  VAL  MGY       3.5   (#   434:20  Unique)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1180,1181,1182,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    26  ARG  HD+    74  LEU  MDY       5.5   (#   435:20  Unique)
 &rst
  ixpk= 435, 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
#
#    74  LEU  HN     74  LEU  MDY       4.5   (#   436:20  Unique)
 &rst
  ixpk= 436, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   106  THR  MG2    90  VAL  MGY       3.5   (#   438:20  Unique)
 &rst
  ixpk= 438, 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   (#   439:20  Unique)
 &rst
  ixpk= 439, 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
#
#    74  LEU  HG     74  LEU  MDY       2.8   (#   441:20  Unique)
 &rst
  ixpk= 441, 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
#
#   109  ILE  QD1    90  VAL  MGY       2.8   (#   443:20  Unique)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1644,1645,1646,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  HN     90  VAL  MGY       3.5   (#   444:20  Unique)
 &rst
  ixpk= 444, 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
#
#    74  LEU  HA     74  LEU  MDY       2.8   (#   445:20  Unique)
 &rst
  ixpk= 445, 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
#
#    72  GLU  HB+    74  LEU  MDY       3.5   (#   447:20  Unique)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1081,1082,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:448   0  AMB  20-1:448     3.5   (#   448:20  Double)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 480, 481, 664,
 igr2=  37,  38,  39,  41,  42,  43, 923, 924, 925, 927,
       928, 929,
 &end
#
#     0  AMB  20-2:449  74  LEU  MDY       3.5   (#   449:20  Single)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1084,1085,1084,1085,1513,1514,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    90  VAL  HA     90  VAL  MGY       3.5   (#   450:20  Unique)
 &rst
  ixpk= 450, 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
#
#    64  MET  HB2    60  VAL  MGX       5.5   (#   451:20  Unique)
 &rst
  ixpk= 451, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    79  ILE  HG1-   90  VAL  MGY       5.5   (#   452:20  Unique)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1177,1178,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:453   0  AMB  20-1:453     4.5   (#   453:20  Double)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 472, 164,
 igr2=  37,  38,  39,  41,  42,  43, 650, 651, 652, 654,
       655, 656,
 &end
#
#   102  HIS  HA     90  VAL  MGY       4.5   (#   454:20  Unique)
 &rst
  ixpk= 454, nxpk= 20, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    44  VAL  HA     44  VAL  MGY       2.8   (#   455:20  Unique)
 &rst
  ixpk= 455, nxpk= 20, iat= 646,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    44  VAL  HN     44  VAL  MGY       3.5   (#   456:20  Unique)
 &rst
  ixpk= 456, 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
#
#     0  AMB  20-2:458  60  VAL  MGX       2.8   (#   458:20  Single)
 &rst
  ixpk= 458, 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
#
#   120  TRP  HA     90  VAL  MGY       5.5   (#   459:20  Unique)
 &rst
  ixpk= 459, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    26  ARG  HN     74  LEU  MDY       4.5   (#   460:20  Unique)
 &rst
  ixpk= 460, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:462  60  VAL  MGX       3.5   (#   462:20  Single)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 902, 903, 665,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   105  SER  HB3    44  VAL  MGY       3.5   (#   463:20  Unique)
 &rst
  ixpk= 463, 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  20-2:464   0  AMB  20-1:464     3.5   (#   464:20  Double)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 963, 511,
 igr2= 923, 924, 925, 927, 928, 929,  37,  38,  39,  41,
        42,  43,
 &end
#
#   109  ILE  QD1    44  VAL  MGY       4.5   (#   465:20  Unique)
 &rst
  ixpk= 465, 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
#
#     0  AMB  20-2:466   0  AMB  20-1:466     2.8   (#   466:20  Double)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 667, 668, 483, 484,1619,1620,1616,1617,
 igr2= 923, 924, 925, 927, 928, 929,  37,  38,  39,  41,
        42,  43, 650, 651, 652, 654, 655, 656,
 &end
#
#   102  HIS  HD2    44  VAL  MGY       5.5   (#   467:20  Unique)
 &rst
  ixpk= 467, 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
#
#     0  AMB  20-2:469   0  AMB  20-1:469     3.5   (#   469:20  Double)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1571, 670, 671,
 igr2= 650, 651, 652, 654, 655, 656, 923, 924, 925, 927,
       928, 929,
 &end
#
#     0  AMB  20-2:471   0  AMB  20-1:471     3.5   (#   471:20  Double)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1190,1191,1652,
 igr2= 257, 258, 259,1793,1794,1795,1797,1798,1799,
 &end
#
#    64  MET  HG+    60  VAL  MGX       3.5   (#   472:20  Unique)
 &rst
  ixpk= 472, 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
#
#    64  MET  HG-    60  VAL  MGX       3.5   (#   473:20  Unique)
 &rst
  ixpk= 473, 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
#
#    60  VAL  HN     60  VAL  MGX       4.5   (#   474:20  Unique)
 &rst
  ixpk= 474, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:475   0  AMB  20-1:475     2.8   (#   475:20  Double)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 638, 639, 640,1641,1642,
 igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
       655, 656,
 &end
#
#   117  GLU  HA    118  VAL  MGY       4.5   (#   476:20  Unique)
 &rst
  ixpk= 476, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:477  27  VAL  MGY       4.5   (#   477:20  Single)
 &rst
  ixpk= 477, 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
#
#    43  ILE  HN     27  VAL  MGY       5.5   (#   478:20  Unique)
 &rst
  ixpk= 478, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   118  VAL  HN    119  THR  MG2       5.5   (#   481:20  Unique)
 &rst
  ixpk= 481, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1809,1810,1811,
 &end
#
#    61  SER  HN     60  VAL  MGX       4.5   (#   484:20  Unique)
 &rst
  ixpk= 484, 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
#
#   119  THR  MG2   117  GLU  HG+        3.5   (#   485:20)
 &rst
  ixpk= 485, 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
#
#   117  GLU  HG-   119  THR  MG2       3.5   (#   486:20  Unique)
 &rst
  ixpk= 486, 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
#
#    27  VAL  HN     27  VAL  MGY       2.8   (#   487:20  Unique)
 &rst
  ixpk= 487, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    64  MET  HG+    27  VAL  MGY       4.5   (#   488:20  Unique)
 &rst
  ixpk= 488, 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  HB    118  VAL  MGY       2.8   (#   489:20  Unique)
 &rst
  ixpk= 489, 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
#
#   119  THR  HN    119  THR  MG2       3.5   (#   490:20  Unique)
 &rst
  ixpk= 490, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1809,1810,1811,
 &end
#
#    71  CYS  HA     27  VAL  MGY       5.5   (#   491:20  Unique)
 &rst
  ixpk= 491, 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
#
#   117  GLU  HA    119  THR  MG2       5.5   (#   492:20  Unique)
 &rst
  ixpk= 492, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1809,1810,1811,
 &end
#
#   119  THR  HB    119  THR  MG2       2.8   (#   493:20  Unique)
 &rst
  ixpk= 493, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1809,1810,1811,
 &end
#
#   118  VAL  HN    118  VAL  MGY       3.5   (#   494:20  Unique)
 &rst
  ixpk= 494, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:495  27  VAL  MGY       4.5   (#   495:20  Single)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 441,  69, 963,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   119  THR  HA    119  THR  MG2       2.8   (#   496:20  Unique)
 &rst
  ixpk= 496, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1809,1810,1811,
 &end
#
#   120  TRP  HN    119  THR  MG2       3.5   (#   497:20  Unique)
 &rst
  ixpk= 497, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1809,1810,1811,
 &end
#
#    27  VAL  HB     27  VAL  MGY       2.8   (#   499:20  Unique)
 &rst
  ixpk= 499, nxpk= 20, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   118  VAL  HA    118  VAL  MGY       3.5   (#   500:20  Unique)
 &rst
  ixpk= 500, 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
#
#     0  AMB  20-2:501   0  AMB  20-1:501     2.8   (#   501:20  Double)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1321,1322,1323,1357,1358,1359,1361,1362,1363, 638,
       639, 640,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#   110  LYS  HA    118  VAL  MGX       4.5   (#   502:20  Unique)
 &rst
  ixpk= 502, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:503  27  VAL  MGY       4.5   (#   503:20  Single)
 &rst
  ixpk= 503, 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
#
#    41  LYS  HB+    27  VAL  MGY       3.5   (#   504:20  Unique)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 592, 593,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  20-2:505   0  AMB  20-1:505     4.5   (#   505:20  Double)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 967,1776,1777,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   118  VAL  HA    119  THR  MG2       4.5   (#   506:20  Unique)
 &rst
  ixpk= 506, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1809,1810,1811,
 &end
#
#    69  CYS  HB2    27  VAL  MGY       3.5   (#   507:20  Unique)
 &rst
  ixpk= 507, 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
#
#    27  VAL  HA     27  VAL  MGY       3.5   (#   509:20  Unique)
 &rst
  ixpk= 509, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#     6  LEU  MDY    27  VAL  MGY       2.8   (#   510:20  Unique)
 &rst
  ixpk= 510, 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
#
#    69  CYS  HB3    27  VAL  MGY       3.5   (#   511:20  Unique)
 &rst
  ixpk= 511, nxpk= 20, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    71  CYS  HA     27  VAL  MGY       5.5   (#   512:20  Unique)
 &rst
  ixpk= 512, 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
#
#    64  MET  HG-    27  VAL  MGY       4.5   (#   515:20  Unique)
 &rst
  ixpk= 515, 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
#
#     0  AMB  20-2:516   0  AMB  20-1:516     2.8   (#   516:20  Double)
 &rst
  ixpk= 516, 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
#
#     0  AMB  20-2:517   0  AMB  20-1:517     2.8   (#   517:20  Double)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1635,1657,1658, 598, 599,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#     0  AMB  20-2:518 118  VAL  MGX       7.0   (#   518:20  Single)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1351,1631,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    43  ILE  HG1-   27  VAL  MGY       3.5   (#   521:20  Unique)
 &rst
  ixpk= 521, 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
#
#    41  LYS  HN     27  VAL  MGY       4.5   (#   522:20  Unique)
 &rst
  ixpk= 522, 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
#
#     0  AMB  20-2:523   0  AMB  20-1:523     2.8   (#   523:20  Double)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1586,1587,1588, 635, 636,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#     0  AMB  20-2:527   0  AMB  20-1:527     3.5   (#   527:20  Double)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1657,1658, 598, 599,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#     0  AMB  20-2:528   0  AMB  20-1:528     5.5   (#   528:20  Double)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 579,1295,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   118  VAL  MGX   118  VAL  HB         7.0   (#   529:20)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   106  THR  HB    118  VAL  MGX       3.5   (#   530:20  Unique)
 &rst
  ixpk= 530, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   118  VAL  HA    118  VAL  MGX       2.8   (#   531:20  Unique)
 &rst
  ixpk= 531, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   109  ILE  QD1   118  VAL  MGX       4.5   (#   532:20  Unique)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1644,1645,1646,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   106  THR  HA    118  VAL  MGX       3.5   (#   533:20  Unique)
 &rst
  ixpk= 533, 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
#
#   119  THR  HN    118  VAL  MGX       4.5   (#   534:20  Unique)
 &rst
  ixpk= 534, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     4  ALA  MB      8  LEU  MDY       4.5   (#   537:20  Unique)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  51,  52,  53,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    47  TYR  HE     60  VAL  MGY       4.5   (#   538:20  Unique)
 &rst
  ixpk= 538, 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
#
#    61  SER  HN     60  VAL  MGY       4.5   (#   542:20  Unique)
 &rst
  ixpk= 542, 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   (#   545:20  Unique)
 &rst
  ixpk= 545, 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
#
#    45  ARG  HG-    60  VAL  MGY       2.8   (#   546:20  Unique)
 &rst
  ixpk= 546, 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  HD-    60  VAL  MGY       5.5   (#   547:20  Unique)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 670, 671,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:548  60  VAL  MGY       2.8   (#   548:20  Single)
 &rst
  ixpk= 548, 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
#
#    45  ARG  HG+    60  VAL  MGY       3.5   (#   549:20  Unique)
 &rst
  ixpk= 549, 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
#
#    59  LYS  HB+    60  VAL  MGY       3.5   (#   550:20  Unique)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 899, 900,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    60  VAL  HB     60  VAL  MGY       2.8   (#   552:20  Unique)
 &rst
  ixpk= 552, 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
#
#    45  ARG  HB2    60  VAL  MGY       3.5   (#   553:20  Unique)
 &rst
  ixpk= 553, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  20-2:554 106  THR  MG2       5.5   (#   554:20  Single)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1841,
 igr2=1586,1587,1588,
 &end
#
#     7  ALA  MB      8  LEU  MDY       3.5   (#   555:20  Unique)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,  94,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     8  LEU  HN      8  LEU  MDY       3.5   (#   558:20  Unique)
 &rst
  ixpk= 558, 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   (#   559:20  Unique)
 &rst
  ixpk= 559, 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
#
#     0  AMB  20-2:560 106  THR  MG2       5.5   (#   560:20  Single)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1351,1631,
 igr2=1586,1587,1588,
 &end
#
#     0  AMB  20-2:562  60  VAL  MGY       3.5   (#   562:20  Single)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 902, 903, 665,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#     8  LEU  HG      8  LEU  MDY       2.8   (#   564:20  Unique)
 &rst
  ixpk= 564, 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
#
#     8  LEU  HB-     8  LEU  MDY       3.5   (#   565:20  Unique)
 &rst
  ixpk= 565, 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  20-2:567  60  VAL  MGY       4.5   (#   567:20  Single)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 895, 751,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   118  VAL  MGX   106  THR  MG2       2.8   (#   569:20  Unique)
 &rst
  ixpk= 569, 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  HB    106  THR  MG2       3.5   (#   571:20  Unique)
 &rst
  ixpk= 571, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1586,1587,1588,
 &end
#
#     0  AMB  20-2:572 106  THR  MG2       3.5   (#   572:20  Single)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1660,1661,1657,1658,1635,
 igr2=1586,1587,1588,
 &end
#
#   106  THR  HN    106  THR  MG2       3.5   (#   573:20  Unique)
 &rst
  ixpk= 573, nxpk= 20, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1586,1587,1588,
 &end
#
#   105  SER  HN    106  THR  MG2       5.5   (#   574:20  Unique)
 &rst
  ixpk= 574, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#   120  TRP  HD1   106  THR  MG2       2.8   (#   575:20  Unique)
 &rst
  ixpk= 575, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#     5  ASP  HB+     8  LEU  MDY       5.5   (#   576:20  Unique)
 &rst
  ixpk= 576, 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
#
#   106  THR  HB    106  THR  MG2       2.8   (#   577:20  Unique)
 &rst
  ixpk= 577, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#   118  VAL  HB    106  THR  MG2       4.5   (#   578:20  Unique)
 &rst
  ixpk= 578, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1586,1587,1588,
 &end
#
#   106  THR  HA    106  THR  MG2       2.8   (#   579:20  Unique)
 &rst
  ixpk= 579, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#   110  LYS  HG-   106  THR  MG2       4.5   (#   580:20  Unique)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1657,1658,
 igr2=1586,1587,1588,
 &end
#
#    90  VAL  MGY   106  THR  MG2       3.5   (#   581:20  Unique)
 &rst
  ixpk= 581, 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
#
#   102  HIS  HB3   106  THR  MG2       5.5   (#   582:20  Unique)
 &rst
  ixpk= 582, nxpk= 20, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#   120  TRP  HA    106  THR  MG2       5.5   (#   583:20  Unique)
 &rst
  ixpk= 583, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#   109  ILE  QD1   106  THR  MG2       5.5   (#   584:20  Unique)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1644,1645,1646,
 igr2=1586,1587,1588,
 &end
#
#     0  AMB  20-2:585 106  THR  MG2       2.8   (#   585:20  Single)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1821,1822,1821,1822,
 igr2=1586,1587,1588,
 &end
#
#   109  ILE  QD1    12  VAL  MGX       4.5   (#   586:20  Unique)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1644,1645,1646,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:588 106  THR  MG2       4.5   (#   588:20  Single)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1594,1344,
 igr2=1586,1587,1588,
 &end
#
#    90  VAL  MGX   106  THR  MG2       3.5   (#   589:20  Unique)
 &rst
  ixpk= 589, 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
#
#   120  TRP  HE1   106  THR  MG2       5.5   (#   590:20  Unique)
 &rst
  ixpk= 590, nxpk= 20, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#    90  VAL  HN     90  VAL  MGX       5.5   (#   591:20  Unique)
 &rst
  ixpk= 591, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    91  TYR  HN     90  VAL  MGX       3.5   (#   592:20  Unique)
 &rst
  ixpk= 592, 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  HB3    90  VAL  MGX       4.5   (#   593:20  Unique)
 &rst
  ixpk= 593, 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  20-2:594  90  VAL  MGX       4.5   (#   594:20  Single)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1821,1822,1821,1822,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    44  VAL  HN     12  VAL  MGX       4.5   (#   595:20  Unique)
 &rst
  ixpk= 595, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   109  ILE  QG2   106  THR  MG2       5.5   (#   599:20  Unique)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1637,1638,1639,
 igr2=1586,1587,1588,
 &end
#
#    79  ILE  QD1    90  VAL  MGX       4.5   (#   600:20  Unique)
 &rst
  ixpk= 600, 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
#
#    42  GLU  HA     24  LEU  MDY       5.5   (#   602:20  Unique)
 &rst
  ixpk= 602, 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
#
#    43  ILE  HN     24  LEU  MDY       4.5   (#   603:20  Unique)
 &rst
  ixpk= 603, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    90  VAL  HA     90  VAL  MGX       3.5   (#   605:20  Unique)
 &rst
  ixpk= 605, 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  HB     90  VAL  MGX       2.8   (#   606:20  Unique)
 &rst
  ixpk= 606, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   102  HIS  HD2    90  VAL  MGX       3.5   (#   607:20  Unique)
 &rst
  ixpk= 607, 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
#
#   106  THR  MG2    90  VAL  MGX       5.5   (#   608:20  Unique)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1586,1587,1588,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   102  HIS  HA     90  VAL  MGX       3.5   (#   609:20  Unique)
 &rst
  ixpk= 609, nxpk= 20, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:611  90  VAL  MGX       3.5   (#   611:20  Single)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1177,1178,1173,1174,1175,1644,1645,1646,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   105  SER  HB2    90  VAL  MGX       4.5   (#   614:20  Unique)
 &rst
  ixpk= 614, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   105  SER  HB3    90  VAL  MGX       4.5   (#   615:20  Unique)
 &rst
  ixpk= 615, nxpk= 20, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    24  LEU  HA     24  LEU  MDY       2.8   (#   616:20  Unique)
 &rst
  ixpk= 616, 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
#
#    24  LEU  HG     24  LEU  MDY       2.8   (#   617:20  Unique)
 &rst
  ixpk= 617, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:618  24  LEU  MDY       2.8   (#   618:20  Single)
 &rst
  ixpk= 618, 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
#
#     0  AMB  20-2:619  24  LEU  MDY       4.5   (#   619:20  Single)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1571,1552,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:620  12  VAL  MGX       3.5   (#   620:20  Single)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1695,1696, 154, 155,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    11  ASP  HB-    12  VAL  MGX       4.5   (#   621:20  Unique)
 &rst
  ixpk= 621, 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
#
#   109  ILE  HA     12  VAL  MGX       2.8   (#   622:20  Unique)
 &rst
  ixpk= 622, 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  20-2:623  12  VAL  MGX       3.5   (#   623:20  Single)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 162, 190,1631,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    12  VAL  HA     12  VAL  MGX       2.8   (#   624:20  Unique)
 &rst
  ixpk= 624, 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
#
#    25  ILE  HN     24  LEU  MDY       3.5   (#   625:20  Unique)
 &rst
  ixpk= 625, 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
#
#     0  AMB  20-2:627  12  VAL  MGX       2.8   (#   627:20  Single)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 166,1613,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:628  24  LEU  MDY       2.8   (#   628:20  Single)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1554, 614, 615, 617, 618,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:629  90  VAL  MGX       4.5   (#   629:20  Single)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1527,1371,1372,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:630  12  VAL  MGX       4.5   (#   630:20  Single)
 &rst
  ixpk= 630, 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
#
#    44  VAL  MGY    12  VAL  MGX       3.5   (#   631:20  Unique)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 650, 651, 652, 654, 655, 656,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   105  SER  HN     24  LEU  MDY       5.5   (#   632:20  Unique)
 &rst
  ixpk= 632, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    44  VAL  MGY    24  LEU  MDY       2.8   (#   633:20  Unique)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 650, 651, 652, 654, 655, 656,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   112  LYS  HD+    12  VAL  MGX       3.5   (#   634:20  Unique)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1692,1693,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:635  12  VAL  MGX       2.8   (#   635:20  Single)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1614,1619,1620,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   112  LYS  HN     12  VAL  MGX       5.5   (#   637:20  Unique)
 &rst
  ixpk= 637, 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
#
#     0  AMB  20-2:638  24  LEU  MDY       3.5   (#   638:20  Single)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 646, 367,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    13  ASP  HN     12  VAL  MGX       4.5   (#   639:20  Unique)
 &rst
  ixpk= 639, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   108  LYS  HN     12  VAL  MGX       5.5   (#   640:20  Unique)
 &rst
  ixpk= 640, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   102  HIS  HD2    24  LEU  MDY       4.5   (#   641:20  Unique)
 &rst
  ixpk= 641, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   109  ILE  HA     12  VAL  MGY       4.5   (#   644:20  Unique)
 &rst
  ixpk= 644, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    13  ASP  HA     12  VAL  MGY       5.5   (#   645:20  Unique)
 &rst
  ixpk= 645, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    41  LYS  HE-    41  LYS  HG+       5.5   (#   647:20  Unique)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#    12  VAL  HA     12  VAL  MGY       3.5   (#   649:20  Unique)
 &rst
  ixpk= 649, 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  20-2:650  12  VAL  MGY       2.8   (#   650:20  Single)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 166,1613,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    13  ASP  HN     12  VAL  MGY       4.5   (#   651:20  Unique)
 &rst
  ixpk= 651, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:652  12  VAL  MGY       3.5   (#   652:20  Single)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 200, 201,1692,1693,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:656  12  VAL  MGY       4.5   (#   656:20  Single)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 162, 190,1631,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    41  LYS  HE+    41  LYS  HG+       5.5   (#   659:20  Unique)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#     0  AMB  20-2:660   0  AMB  20-1:660     5.5   (#   660:20  Double)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 601, 602, 154, 155,
 igr2= 595, 596, 168, 169, 170, 172, 173, 174,
 &end
#
#    91  TYR  HB+   121  ALA  MB        4.5   (#   661:20  Unique)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1371,1372,
 igr2=1845,1846,1847,
 &end
#
#   123  ASP  HN    121  ALA  MB        3.5   (#   662:20  Unique)
 &rst
  ixpk= 662, 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   (#   663:20  Unique)
 &rst
  ixpk= 663, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1845,1846,1847,
 &end
#
#   121  ALA  HA    121  ALA  MB        2.8   (#   666:20  Unique)
 &rst
  ixpk= 666, nxpk= 20, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1845,1846,1847,
 &end
#
#     0  AMB  20-2:667 121  ALA  MB        2.8   (#   667:20  Single)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1851,1841,
 igr2=1845,1846,1847,
 &end
#
#   123  ASP  HB+   121  ALA  MB        3.5   (#   668:20  Unique)
 &rst
  ixpk= 668, 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
#
#   123  ASP  HA    121  ALA  MB        5.5   (#   669:20  Unique)
 &rst
  ixpk= 669, nxpk= 20, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1845,1846,1847,
 &end
#
#    41  LYS  HD-    41  LYS  HG-       4.5   (#   671:20  Unique)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 595, 596,
 &end
#
#    91  TYR  HB-   121  ALA  MB        4.5   (#   672:20  Unique)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1371,1372,
 igr2=1845,1846,1847,
 &end
#
#   122  ASN  HA    121  ALA  MB        5.5   (#   675:20  Unique)
 &rst
  ixpk= 675, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1845,1846,1847,
 &end
#
#    41  LYS  HE-    41  LYS  HG+       5.5   (#   676:20  Unique)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#     0  AMB  20-2:677   0  AMB  20-1:677     4.5   (#   677:20  Double)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 592, 593, 592, 593,
 igr2= 595, 596, 595, 596,
 &end
#
#   120  TRP  HA    121  ALA  MB        4.5   (#   678:20  Unique)
 &rst
  ixpk= 678, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1845,1846,1847,
 &end
#
#    41  LYS  HD-    41  LYS  HG+       4.5   (#   679:20  Unique)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 595, 596,
 &end
#
#    41  LYS  HD+    41  LYS  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= 598, 599,
 igr2= 595, 596,
 &end
#
#     0  AMB  20-2:681   0  AMB  20-1:681     3.5   (#   681:20  Double)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  78,  79,  80,  82,  83,  84, 123, 124, 125,
 igr2= 595, 596, 595, 596,
 &end
#
#     6  LEU  MDY    41  LYS  HG+       4.5   (#   683:20  Unique)
 &rst
  ixpk= 683, 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= 595, 596,
 &end
#
#    41  LYS  HB-    41  LYS  HG+       4.5   (#   684:20  Unique)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 592, 593,
 igr2= 595, 596,
 &end
#
#    29  SER  HB-     6  LEU  MDY       4.5   (#   686:20  Unique)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HG+     6  LEU  MDY       4.5   (#   687:20  Unique)
 &rst
  ixpk= 687, 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
#
#     0  AMB  20-2:688   6  LEU  MDY       5.5   (#   688:20  Single)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1048, 601, 602,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:689   6  LEU  MDY       4.5   (#   689:20  Single)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441,  69,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HN      6  LEU  MDY       5.5   (#   690:20  Unique)
 &rst
  ixpk= 690, 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
#
#     0  AMB  20-2:691   6  LEU  MDY       3.5   (#   691:20  Single)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  73, 412,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     9  ILE  QD1     6  LEU  MDY       2.8   (#   692:20  Unique)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 130, 131, 132,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    29  SER  HB+     6  LEU  MDY       4.5   (#   694:20  Unique)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    29  SER  HA      6  LEU  MDY       4.5   (#   695:20  Unique)
 &rst
  ixpk= 695, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HA      6  LEU  MDY       2.8   (#   696:20  Unique)
 &rst
  ixpk= 696, 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  HB3     6  LEU  MDY       3.5   (#   697:20  Unique)
 &rst
  ixpk= 697, 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
#
#     0  AMB  20-2:698   6  LEU  MDY       4.5   (#   698:20  Single)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 598, 599, 127, 128,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HG      6  LEU  MDY       2.8   (#   699:20  Unique)
 &rst
  ixpk= 699, 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
#
#    40  SER  HA      6  LEU  MDY       4.5   (#   701:20  Unique)
 &rst
  ixpk= 701, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    28  HIS  HA      6  LEU  MDY       5.5   (#   702:20  Unique)
 &rst
  ixpk= 702, 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
#
#     0  AMB  20-2:703   6  LEU  MDY       4.5   (#   703:20  Single)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 592, 593, 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    39  GLU  HB+     6  LEU  MDY       5.5   (#   704:20  Unique)
 &rst
  ixpk= 704, 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
#
#    57  TYR  HB2    23  VAL  MGX       5.5   (#   706:20  Unique)
 &rst
  ixpk= 706, 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
#
#    76  GLY  HA-    23  VAL  MGX       4.5   (#   707:20  Unique)
 &rst
  ixpk= 707, 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
#
#    97  TYR  HD     23  VAL  MGX       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=1462,1471,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    53  HIS  HB+    23  VAL  MGX       4.5   (#   710:20  Unique)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 808, 809,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    57  TYR  HB3    23  VAL  MGX       5.5   (#   711:20  Unique)
 &rst
  ixpk= 711, nxpk= 20, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    23  VAL  HN     23  VAL  MGX       4.5   (#   712:20  Unique)
 &rst
  ixpk= 712, 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
#
#    22  TYR  HE     23  VAL  MGX       4.5   (#   713:20  Unique)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 319, 324,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    23  VAL  HA     23  VAL  MGX       3.5   (#   715:20  Unique)
 &rst
  ixpk= 715, 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
#
#    53  HIS  HB-    23  VAL  MGX       3.5   (#   716:20  Unique)
 &rst
  ixpk= 716, 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  20-2:717  23  VAL  MGX       2.8   (#   717:20  Single)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 334, 847,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    24  LEU  HN     23  VAL  MGX       4.5   (#   719:20  Unique)
 &rst
  ixpk= 719, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:720  23  VAL  MGX       4.5   (#   720:20  Single)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 862,1129,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    56  ILE  HG1+   23  VAL  MGX       4.5   (#   721:20  Unique)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 853, 854,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#     0  AMB  20-2:722  23  VAL  MGX       4.5   (#   722:20  Single)
 &rst
  ixpk= 722, 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
#
#    97  TYR  HE     23  VAL  MGX       4.5   (#   723:20  Unique)
 &rst
  ixpk= 723, 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
#
#    76  GLY  HA+    23  VAL  MGX       4.5   (#   724:20  Unique)
 &rst
  ixpk= 724, 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
#
#    14  ILE  QG2    14  ILE  HG1+      3.5   (#   725:20  Unique)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 196, 197, 198,
 igr2= 200, 201,
 &end
#
#    14  ILE  QD1    14  ILE  HG1+      3.5   (#   729:20  Unique)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205,
 igr2= 200, 201,
 &end
#
#    14  ILE  HN     14  ILE  HG1+      4.5   (#   730:20  Unique)
 &rst
  ixpk= 730, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 200, 201,
 &end
#
#    14  ILE  HN     14  ILE  HG1-      4.5   (#   732:20  Unique)
 &rst
  ixpk= 732, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 200, 201,
 &end
#
#    14  ILE  QD1    14  ILE  HG1-      4.5   (#   733:20  Unique)
 &rst
  ixpk= 733, 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
#
#    14  ILE  QG2    14  ILE  HG1-      3.5   (#   734:20  Unique)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 196, 197, 198,
 igr2= 200, 201,
 &end
#
#    14  ILE  HG1+   14  ILE  HB         7.0   (#   737:20)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 200, 201,
 &end
#
#   109  ILE  HN    108  LYS  HG-       5.5   (#   738:20  Unique)
 &rst
  ixpk= 738, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1616,1617,
 &end
#
#   108  LYS  HE+   108  LYS  HG+       5.5   (#   739:20  Unique)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#   108  LYS  HB2   108  LYS  HG+       3.5   (#   740:20  Unique)
 &rst
  ixpk= 740, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#     0  AMB  20-2:741   0  AMB  20-1:741     3.5   (#   741:20  Double)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,
 igr2=1616,1617, 200, 201,
 &end
#
#    49  TRP  HZ2    59  LYS  HG+       4.5   (#   744:20  Unique)
 &rst
  ixpk= 744, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 902, 903,
 &end
#
#   108  LYS  HA    108  LYS  HG+       5.5   (#   746:20  Unique)
 &rst
  ixpk= 746, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1616,1617,
 &end
#
#   108  LYS  HA    108  LYS  HG-       4.5   (#   748:20  Unique)
 &rst
  ixpk= 748, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1616,1617,
 &end
#
#   108  LYS  HB2   108  LYS  HG-       2.8   (#   749:20  Unique)
 &rst
  ixpk= 749, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1616,1617,
 &end
#
#   108  LYS  HE-   108  LYS  HG-       4.5   (#   750:20  Unique)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#   108  LYS  HE+   108  LYS  HG+       5.5   (#   754:20  Unique)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#   108  LYS  HN    108  LYS  HG+       3.5   (#   755:20  Unique)
 &rst
  ixpk= 755, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#    60  VAL  MGY    59  LYS  HG+       4.5   (#   758:20  Unique)
 &rst
  ixpk= 758, 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  HN    108  LYS  HG-       3.5   (#   759:20  Unique)
 &rst
  ixpk= 759, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#    59  LYS  HE+    59  LYS  HG+       3.5   (#   760:20  Unique)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 908, 909,
 igr2= 902, 903,
 &end
#
#    59  LYS  HA     59  LYS  HG+       3.5   (#   763:20  Unique)
 &rst
  ixpk= 763, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 902, 903,
 &end
#
#    59  LYS  HB+    59  LYS  HG+       2.8   (#   764:20  Unique)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 899, 900,
 igr2= 902, 903,
 &end
#
#    49  TRP  HH2    59  LYS  HG+       3.5   (#   765:20  Unique)
 &rst
  ixpk= 765, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 902, 903,
 &end
#
#    45  ARG  HG+    59  LYS  HG+       5.5   (#   766:20  Unique)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 667, 668,
 igr2= 902, 903,
 &end
#
#    59  LYS  HD+    59  LYS  HG+       2.8   (#   767:20  Unique)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 905, 906,
 igr2= 902, 903,
 &end
#
#    60  VAL  HN     59  LYS  HG+       5.5   (#   768:20  Unique)
 &rst
  ixpk= 768, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 902, 903,
 &end
#
#   108  LYS  HE+   108  LYS  HG-       5.5   (#   769:20  Unique)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#   119  THR  MG2    87  LYS  HG-       4.5   (#   774:20  Unique)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1809,1810,1811,
 igr2=1300,1301,
 &end
#
#     0  AMB  20-2:777   0  AMB  20-1:777     4.5   (#   777:20  Double)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1622,1623,1306,1307,
 igr2=1616,1617,1300,1301,
 &end
#
#     0  AMB  20-2:779  87  LYS  HG-       4.5   (#   779:20  Single)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1306,1307,1338,1339,
 igr2=1300,1301,
 &end
#
#    44  VAL  MGY   108  LYS  HG+       5.5   (#   780:20  Unique)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 650, 651, 652, 654, 655, 656,
 igr2=1616,1617,
 &end
#
#    87  LYS  HG-   117  GLU  HB+        4.5   (#   781:20)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#    87  LYS  HB+    87  LYS  HG-       3.5   (#   783:20  Unique)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#     0  AMB  20-2:786  87  LYS  HG-       3.5   (#   786:20  Single)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1303,1304,1303,1304,
 igr2=1300,1301,
 &end
#
#     0  AMB  20-2:787   0  AMB  20-1:787     4.5   (#   787:20  Double)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1622,1623,1306,1307,
 igr2=1616,1617,1300,1301,
 &end
#
#   112  LYS  HB-   112  LYS  HG+       3.5   (#   789:20  Unique)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1686,1687,
 igr2=1689,1690,
 &end
#
#     0  AMB  20-2:790  87  LYS  HG-       2.8   (#   790:20  Single)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1297,1298,1303,1304,
 igr2=1300,1301,
 &end
#
#     0  AMB  20-2:791   0  AMB  20-1:791     5.5   (#   791:20  Double)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 902, 903, 902, 903,
 &end
#
#    12  VAL  HB    112  LYS  HG+       5.5   (#   792:20  Unique)
 &rst
  ixpk= 792, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1689,1690,
 &end
#
#    87  LYS  HA     87  LYS  HG-       4.5   (#   793:20  Unique)
 &rst
  ixpk= 793, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1300,1301,
 &end
#
#   104  ILE  QG2   108  LYS  HG+       4.5   (#   795:20  Unique)
 &rst
  ixpk= 795, 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
#
#    12  VAL  MGY   112  LYS  HG+       3.5   (#   796:20  Unique)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1689,1690,
 &end
#
#    87  LYS  HB+    87  LYS  HG+       4.5   (#   797:20  Unique)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#   112  LYS  HE-   112  LYS  HG+       3.5   (#   798:20  Unique)
 &rst
  ixpk= 798, 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  20-2:799   0  AMB  20-1:799     2.8   (#   799:20  Double)
 &rst
  ixpk= 799, 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  HA    112  LYS  HG+       4.5   (#   800:20  Unique)
 &rst
  ixpk= 800, nxpk= 20, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1689,1690,
 &end
#
#    87  LYS  HA     87  LYS  HG+       4.5   (#   803:20  Unique)
 &rst
  ixpk= 803, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1300,1301,
 &end
#
#   112  LYS  HE+   112  LYS  HG+       3.5   (#   804:20  Unique)
 &rst
  ixpk= 804, 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  HD+   112  LYS  HG+       4.5   (#   805:20  Unique)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1692,1693,
 igr2=1689,1690,
 &end
#
#   117  GLU  HB-    87  LYS  HG-       4.5   (#   807:20  Unique)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1776,1777,
 igr2=1300,1301,
 &end
#
#     5  ASP  HA      8  LEU  MDX       5.5   (#   808:20  Unique)
 &rst
  ixpk= 808, 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
#
#     0  AMB  20-2:812   0  AMB  20-1:812     5.5   (#   812:20  Double)
 &rst
  ixpk= 812, 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
#
#     5  ASP  HN      8  LEU  MDX       5.5   (#   813:20  Unique)
 &rst
  ixpk= 813, 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
#
#     0  AMB  20-2:814   6  LEU  MDX       5.5   (#   814:20  Single)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1048, 601, 602,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   110  LYS  HA    110  LYS  HG-       4.5   (#   815:20  Unique)
 &rst
  ixpk= 815, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#     8  LEU  HN      8  LEU  MDX       4.5   (#   816:20  Unique)
 &rst
  ixpk= 816, 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
#
#    29  SER  HB+     6  LEU  MDX       4.5   (#   818:20  Unique)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     8  LEU  HG      8  LEU  MDX       2.8   (#   819:20  Unique)
 &rst
  ixpk= 819, 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
#
#     8  LEU  HA      8  LEU  MDX       4.5   (#   820:20  Unique)
 &rst
  ixpk= 820, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  20-2:823   8  LEU  MDX       2.8   (#   823:20  Single)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 102, 103, 102, 103,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     5  ASP  HB+     8  LEU  MDX       3.5   (#   824:20  Unique)
 &rst
  ixpk= 824, 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
#
#    63  ASP  HA     66  LYS  HG+       4.5   (#   825:20  Unique)
 &rst
  ixpk= 825, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#     6  LEU  HG      6  LEU  MDX       2.8   (#   828:20  Unique)
 &rst
  ixpk= 828, 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
#
#     5  ASP  HB-     8  LEU  MDX       3.5   (#   830:20  Unique)
 &rst
  ixpk= 830, 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
#
#    28  HIS  HA      6  LEU  MDX       4.5   (#   831:20  Unique)
 &rst
  ixpk= 831, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:833   6  LEU  MDX       3.5   (#   833:20  Single)
 &rst
  ixpk= 833, 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
#
#    40  SER  HN      6  LEU  MDX       5.5   (#   834:20  Unique)
 &rst
  ixpk= 834, nxpk= 20, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    41  LYS  HG+     6  LEU  MDX       3.5   (#   835:20  Unique)
 &rst
  ixpk= 835, 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
#
#     6  LEU  HB2     6  LEU  MDX       2.8   (#   836:20  Unique)
 &rst
  ixpk= 836, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    39  GLU  HB+     6  LEU  MDX       3.5   (#   839:20  Unique)
 &rst
  ixpk= 839, 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
#
#     0  AMB  20-2:840   6  LEU  MDX       4.5   (#   840:20  Single)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 598, 599, 127, 128,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HB3     6  LEU  MDX       2.8   (#   841:20  Unique)
 &rst
  ixpk= 841, 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
#
#    29  SER  HB-     6  LEU  MDX       4.5   (#   842:20  Unique)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HA      6  LEU  MDX       4.5   (#   843:20  Unique)
 &rst
  ixpk= 843, 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
#
#   110  LYS  HE+   110  LYS  HG-       4.5   (#   844:20  Unique)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#    29  SER  HA      6  LEU  MDX       4.5   (#   845:20  Unique)
 &rst
  ixpk= 845, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    66  LYS  HN     66  LYS  HG+       3.5   (#   846:20  Unique)
 &rst
  ixpk= 846, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1004,1005,
 &end
#
#     9  ILE  HG1+    6  LEU  MDX       4.5   (#   847:20  Unique)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 127, 128,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    66  LYS  HE+    66  LYS  HG+       3.5   (#   848:20  Unique)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1010,1011,
 igr2=1004,1005,
 &end
#
#     0  AMB  20-2:849   6  LEU  MDX       4.5   (#   849:20  Single)
 &rst
  ixpk= 849, 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  20-2:850   6  LEU  MDX       5.5   (#   850:20  Single)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 590,  59,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    40  SER  HA      6  LEU  MDX       3.5   (#   851:20  Unique)
 &rst
  ixpk= 851, 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
#
#     0  AMB  20-2:852   6  LEU  MDX       3.5   (#   852:20  Single)
 &rst
  ixpk= 852, 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
#
#    41  LYS  HN      6  LEU  MDX       4.5   (#   853:20  Unique)
 &rst
  ixpk= 853, 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
#
#    66  LYS  HA     66  LYS  HG+       4.5   (#   857:20  Unique)
 &rst
  ixpk= 857, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#   118  VAL  HB    110  LYS  HG+       4.5   (#   858:20  Unique)
 &rst
  ixpk= 858, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#     4  ALA  MB      8  LEU  MDX       4.5   (#   861:20  Unique)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  51,  52,  53,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#     0  AMB  20-2:862   0  AMB  20-1:862     2.8   (#   862:20  Double)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1791,1001,1002,
 igr2=1657,1658,1004,1005,
 &end
#
#     0  AMB  20-2:863   0  AMB  20-1:863     3.5   (#   863:20  Double)
 &rst
  ixpk= 863, 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
#
#    66  LYS  HB+    66  LYS  HG+       2.8   (#   864:20  Unique)
 &rst
  ixpk= 864, 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  HA     66  LYS  HG-       3.5   (#   865:20  Unique)
 &rst
  ixpk= 865, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1004,1005,
 &end
#
#   110  LYS  HD+   110  LYS  HG-       3.5   (#   867:20  Unique)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1660,1661,
 igr2=1657,1658,
 &end
#
#   110  LYS  HN    110  LYS  HG+       4.5   (#   869:20  Unique)
 &rst
  ixpk= 869, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#   110  LYS  HA    110  LYS  HG+       4.5   (#   870:20  Unique)
 &rst
  ixpk= 870, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#   110  LYS  HA    110  LYS  HG+       4.5   (#   871:20  Unique)
 &rst
  ixpk= 871, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#   107  GLU  HA    110  LYS  HG-       5.5   (#   872:20  Unique)
 &rst
  ixpk= 872, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1657,1658,
 &end
#
#     0  AMB  20-2:873   0  AMB  20-1:873     3.5   (#   873:20  Double)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1660,1661,1654,1655,
 igr2=1657,1658,1657,1658,
 &end
#
#    66  LYS  HN     66  LYS  HG-       4.5   (#   874:20  Unique)
 &rst
  ixpk= 874, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#   110  LYS  HN    110  LYS  HG-       4.5   (#   877:20  Unique)
 &rst
  ixpk= 877, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#   110  LYS  HA    110  LYS  HG-       5.5   (#   878:20  Unique)
 &rst
  ixpk= 878, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1657,1658,
 &end
#
#   110  LYS  HE+   110  LYS  HG+       4.5   (#   879:20  Unique)
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#   110  LYS  HB-   110  LYS  HG+       3.5   (#   880:20  Unique)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1654,1655,
 igr2=1657,1658,
 &end
#
#   110  LYS  HA    110  LYS  HG-       4.5   (#   881:20  Unique)
 &rst
  ixpk= 881, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#   110  LYS  HE+   110  LYS  HG-       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=1663,1664,
 igr2=1657,1658,
 &end
#
#   118  VAL  MGY   110  LYS  HG-       3.5   (#   883:20  Unique)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1657,1658,
 &end
#
#    42  GLU  HA     74  LEU  MDX       5.5   (#   884:20  Unique)
 &rst
  ixpk= 884, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   118  VAL  MGY   110  LYS  HG+       3.5   (#   887:20  Unique)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1657,1658,
 &end
#
#    26  ARG  HD+    74  LEU  MDX       5.5   (#   888:20  Unique)
 &rst
  ixpk= 888, 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
#
#     0  AMB  20-2:889  74  LEU  MDX       4.5   (#   889:20  Single)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1084,1085,1084,1085,1513,1514,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    26  ARG  HN      0  AMB  20-1:890     4.5   (#   890:20  Single)
 &rst
  ixpk= 890, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#    26  ARG  HA      0  AMB  20-1:891     5.5   (#   891:20  Single)
 &rst
  ixpk= 891, 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
#
#     0  AMB  20-2:892   0  AMB  20-1:892     3.5   (#   892:20  Double)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 617, 618, 617, 618,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#     0  AMB  20-2:893  74  LEU  MDX       2.8   (#   893:20  Single)
 &rst
  ixpk= 893, 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
#
#    43  ILE  HN     24  LEU  MDX       5.5   (#   894:20  Unique)
 &rst
  ixpk= 894, 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
#
#    74  LEU  HN      0  AMB  20-1:895     5.5   (#   895:20  Single)
 &rst
  ixpk= 895, nxpk= 20, iat=1103,  -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
#
#     0  AMB  20-2:896  24  LEU  MDX       2.8   (#   896:20  Single)
 &rst
  ixpk= 896, 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
#
#     0  AMB  20-2:897   0  AMB  20-1:897     2.8   (#   897:20  Double)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1554, 614, 615, 388, 617, 618,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#     0  AMB  20-2:898   0  AMB  20-1:898     2.8   (#   898:20  Double)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 353,1107,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#     0  AMB  20-2:900   0  AMB  20-1:900     4.5   (#   900:20  Double)
 &rst
  ixpk= 900, 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
#
#    74  LEU  HA     74  LEU  MDX       4.5   (#   901:20  Unique)
 &rst
  ixpk= 901, 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
#
#    24  LEU  HA     24  LEU  MDX       4.5   (#   902:20  Unique)
 &rst
  ixpk= 902, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:903  24  LEU  MDX       5.5   (#   903:20  Single)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1525,1508,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:904  24  LEU  MDX       3.5   (#   904:20  Single)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 650, 651, 652, 654, 655, 656, 350, 351,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:905  24  LEU  MDX       3.5   (#   905:20  Single)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1506, 346,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   105  SER  HN     24  LEU  MDX       4.5   (#   906:20  Unique)
 &rst
  ixpk= 906, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   100  ALA  HA     24  LEU  MDX       5.5   (#   907:20  Unique)
 &rst
  ixpk= 907, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   104  ILE  HN     24  LEU  MDX       5.5   (#   909:20  Unique)
 &rst
  ixpk= 909, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    43  ILE  QD1    45  ARG  HG+       5.5   (#   910:20  Unique)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640,
 igr2= 667, 668,
 &end
#
#   102  HIS  HD2    24  LEU  MDX       5.5   (#   911:20  Unique)
 &rst
  ixpk= 911, 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
#
#    43  ILE  HB     43  ILE  HG1-      5.5   (#   912:20  Unique)
 &rst
  ixpk= 912, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 635, 636,
 &end
#
#    43  ILE  HN     43  ILE  HG1+      4.5   (#   913:20  Unique)
 &rst
  ixpk= 913, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 635, 636,
 &end
#
#     0  AMB  20-2:914  24  LEU  MDX       5.5   (#   914:20  Single)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1571,1552,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:916  43  ILE  HG1-      3.5   (#   916:20  Single)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 369, 667, 668,
 igr2= 635, 636,
 &end
#
#    43  ILE  HN     43  ILE  HG1-      4.5   (#   918:20  Unique)
 &rst
  ixpk= 918, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 635, 636,
 &end
#
#     0  AMB  20-2:919  43  ILE  HG1-      3.5   (#   919:20  Single)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
 igr2= 635, 636,
 &end
#
#    43  ILE  QD1    43  ILE  HG1-      3.5   (#   920:20  Unique)
 &rst
  ixpk= 920, 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
#
#     0  AMB  20-2:921   0  AMB  20-1:921     3.5   (#   921:20  Double)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 369, 667, 668,
 igr2= 635, 636, 635, 636,
 &end
#
#   102  HIS  HN    101  GLN  HB+       5.5   (#   922:20  Unique)
 &rst
  ixpk= 922, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1510,1511,
 &end
#
#    43  ILE  QD1    43  ILE  HG1+      3.5   (#   923:20  Unique)
 &rst
  ixpk= 923, 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
#
#   104  ILE  HN    101  GLN  HB+       4.5   (#   924:20  Unique)
 &rst
  ixpk= 924, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1510,1511,
 &end
#
#   101  GLN  HN    101  GLN  HB+       3.5   (#   925:20  Unique)
 &rst
  ixpk= 925, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#     0  AMB  20-2:928  43  ILE  HG1-      3.5   (#   928:20  Single)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 631, 632, 633, 378, 379, 380,
 igr2= 635, 636,
 &end
#
#   104  ILE  HG1-  101  GLN  HB+       5.5   (#   929:20  Unique)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#    25  ILE  QD1    45  ARG  HG+       4.5   (#   930:20  Unique)
 &rst
  ixpk= 930, 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
#
#    45  ARG  HB2    45  ARG  HG+       4.5   (#   931:20  Unique)
 &rst
  ixpk= 931, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 667, 668,
 &end
#
#   101  GLN  HA    101  GLN  HB+       3.5   (#   933:20  Unique)
 &rst
  ixpk= 933, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#     0  AMB  20-2:934   0  AMB  20-1:934     3.5   (#   934:20  Double)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
 igr2= 635, 636, 635, 636,
 &end
#
#   104  ILE  HN    101  GLN  HB+       5.5   (#   935:20  Unique)
 &rst
  ixpk= 935, nxpk= 20, iat=1550,  -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   (#   936:20  Unique)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#    60  VAL  MGX    45  ARG  HG+       4.5   (#   938:20  Unique)
 &rst
  ixpk= 938, 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
#
#   101  GLN  HG-   101  GLN  HB-       3.5   (#   939:20  Unique)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#     0  AMB  20-2:942 101  GLN  HB-       2.8   (#   942:20  Single)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1510,1511,
 &end
#
#   101  GLN  HG+   101  GLN  HB-       3.5   (#   943:20  Unique)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#    60  VAL  MGY    45  ARG  HG+       4.5   (#   945:20  Unique)
 &rst
  ixpk= 945, 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
#
#   101  GLN  HA    101  GLN  HB-       3.5   (#   946:20  Unique)
 &rst
  ixpk= 946, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#     0  AMB  20-2:947   0  AMB  20-1:947     2.8   (#   947:20  Double)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1510,1511,1510,1511,
 &end
#
#    43  ILE  HG1+   45  ARG  HG+       4.5   (#   948:20  Unique)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 635, 636,
 igr2= 667, 668,
 &end
#
#   101  GLN  HN    101  GLN  HB-       2.8   (#   949:20  Unique)
 &rst
  ixpk= 949, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1510,1511,
 &end
#
#   101  GLN  HG-   101  GLN  HB+       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=1513,1514,
 igr2=1510,1511,
 &end
#
#    43  ILE  QD1    45  ARG  HG+       5.5   (#   951:20  Unique)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640,
 igr2= 667, 668,
 &end
#
#   104  ILE  HG1+  101  GLN  HB+       4.5   (#   952:20  Unique)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#   101  GLN  HG+   101  GLN  HB+       3.5   (#   954:20  Unique)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#     0  AMB  20-2:955  45  ARG  HG-       3.5   (#   955:20  Single)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 923, 924, 925, 927, 928, 929, 635, 636,
 igr2= 667, 668,
 &end
#
#   104  ILE  HG1-  101  GLN  HB+       5.5   (#   956:20  Unique)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#    23  VAL  HB     73  CYS  HB-       4.5   (#   957:20  Unique)
 &rst
  ixpk= 957, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#    74  LEU  HB2    74  LEU  HG        3.5   (#   959:20  Unique)
 &rst
  ixpk= 959, nxpk= 20, iat=1107,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    26  ARG  HN     74  LEU  HG        4.5   (#   961:20  Unique)
 &rst
  ixpk= 961, nxpk= 20, iat= 384,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    73  CYS  HN     73  CYS  HB-       4.5   (#   962:20  Unique)
 &rst
  ixpk= 962, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#    74  LEU  HB3    74  LEU  HG        3.5   (#   964:20  Unique)
 &rst
  ixpk= 964, nxpk= 20, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  MDY    74  LEU  HG        2.8   (#   965:20  Unique)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    74  LEU  HN     74  LEU  HG        4.5   (#   968:20  Unique)
 &rst
  ixpk= 968, nxpk= 20, iat=1103,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  HA     74  LEU  HG        4.5   (#   970:20  Unique)
 &rst
  ixpk= 970, nxpk= 20, iat=1105,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HD     73  CYS  HB+       5.5   (#   975:20  Unique)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2=1096,1097,
 &end
#
#    73  CYS  HN     73  CYS  HB+       4.5   (#   976:20  Unique)
 &rst
  ixpk= 976, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#    56  ILE  HG1+   73  CYS  HB+       5.5   (#   978:20  Unique)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 853, 854,
 igr2=1096,1097,
 &end
#
#    56  ILE  HG1+   73  CYS  HB+       5.5   (#   979:20  Unique)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 853, 854,
 igr2=1096,1097,
 &end
#
#    57  TYR  HE     73  CYS  HB+       5.5   (#   980:20  Unique)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#    57  TYR  HE     73  CYS  HB-       5.5   (#   986:20  Unique)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#    73  CYS  HA     73  CYS  HB-       4.5   (#   988:20  Unique)
 &rst
  ixpk= 988, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#    97  TYR  HD     73  CYS  HB+       5.5   (#   989:20  Unique)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2=1096,1097,
 &end
#
#    97  TYR  HE     73  CYS  HB+       5.5   (#   990:20  Unique)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2=1096,1097,
 &end
#
#    32  ARG  HD+    32  ARG  HG+       3.5   (#   992:20  Unique)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 486, 487,
 igr2= 483, 484,
 &end
#
#    57  TYR  HE     73  CYS  HB+       5.5   (#   995:20  Unique)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#    99  PRO  HB+    99  PRO  HG-       3.5   (#   996:20  Unique)
 &rst
  ixpk= 996, 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  HD-    99  PRO  HG+       4.5   (#   997:20  Unique)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#     7  ALA  MB      8  LEU  HG        4.5   (#   999:20  Unique)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 &end
#
#    99  PRO  HD+    99  PRO  HG-       4.5   (#  1003:20  Unique)
 &rst
  ixpk= 1003, 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-       3.5   (#  1004:20  Unique)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#     8  LEU  MDX     8  LEU  HG        2.8   (#  1006:20  Unique)
 &rst
  ixpk= 1006, 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
#
#    32  ARG  HB+    32  ARG  HG+       3.5   (#  1007:20  Unique)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 480, 481,
 igr2= 483, 484,
 &end
#
#    99  PRO  HD+    99  PRO  HG+       3.5   (#  1008:20  Unique)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#    99  PRO  HB+    99  PRO  HG+       3.5   (#  1009:20  Unique)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1489,1490,
 igr2=1486,1487,
 &end
#
#     5  ASP  HB+     8  LEU  HG        4.5   (#  1012:20  Unique)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#     9  ILE  HB      9  ILE  HG1-      3.5   (#  1013:20  Unique)
 &rst
  ixpk= 1013, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#     8  LEU  HB-     8  LEU  HG        2.8   (#  1014:20  Unique)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 102, 103,
 &end
#
#     6  LEU  HA      9  ILE  HG1-      4.5   (#  1018:20  Unique)
 &rst
  ixpk= 1018, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#    73  CYS  HA     73  CYS  HB+       4.5   (#  1019:20  Unique)
 &rst
  ixpk= 1019, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#     8  LEU  HA      8  LEU  HG        3.5   (#  1020:20  Unique)
 &rst
  ixpk= 1020, nxpk= 20, iat= 100, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  MDY     8  LEU  HG        2.8   (#  1021:20  Unique)
 &rst
  ixpk= 1021, 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
#
#     8  LEU  HN      8  LEU  HG        3.5   (#  1022:20  Unique)
 &rst
  ixpk= 1022, nxpk= 20, iat=  98, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HA      9  ILE  HG1+      5.5   (#  1024:20  Unique)
 &rst
  ixpk= 1024, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 127, 128,
 &end
#
#    41  LYS  HG+     9  ILE  HG1-      5.5   (#  1025:20  Unique)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596,
 igr2= 127, 128,
 &end
#
#     9  ILE  HA      9  ILE  HG1+      3.5   (#  1026:20  Unique)
 &rst
  ixpk= 1026, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#     0  AMB  20-2:1027   9  ILE  HG1-      5.5   (#  1027:20  Single)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  51,  52,  53,  74,
 igr2= 127, 128,
 &end
#
#     0  AMB  20-2:1028   9  ILE  HG1-      5.5   (#  1028:20  Single)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 414, 415, 416, 418, 419, 420, 107, 108, 109, 111,
       112, 113, 595, 596,
 igr2= 127, 128,
 &end
#
#     0  AMB  20-2:1030   6  LEU  HG        4.5   (#  1030:20  Single)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  71, 463, 464,
 &end
#
#     9  ILE  HN      9  ILE  HG1-      3.5   (#  1034:20  Unique)
 &rst
  ixpk= 1034, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#     9  ILE  HB      9  ILE  HG1+      3.5   (#  1035:20  Unique)
 &rst
  ixpk= 1035, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#     0  AMB  20-2:1036   0  AMB  20-1:1036     2.8   (#  1036:20  Double)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 130, 131, 132, 123, 124, 125,
 igr2= 127, 128, 127, 128,
 &end
#
#     0  AMB  20-2:1037   9  ILE  HG1-      2.8   (#  1037:20  Single)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 130, 131, 132, 123, 124, 125,
 igr2= 127, 128,
 &end
#
#     0  AMB  20-2:1038   0  AMB  20-1:1038     4.5   (#  1038:20  Double)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 445, 446, 504, 505, 513, 514,
 igr2=  76, 483, 484, 483, 484,
 &end
#
#     6  LEU  HN      6  LEU  HG        3.5   (#  1039:20  Unique)
 &rst
  ixpk= 1039, nxpk= 20, iat=  69,  76, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  MDX     6  LEU  HG        3.5   (#  1040:20  Unique)
 &rst
  ixpk= 1040, 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  HB3     6  LEU  HG        3.5   (#  1042:20  Unique)
 &rst
  ixpk= 1042, nxpk= 20, iat=  74,  76, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1043   0  AMB  20-1:1043     4.5   (#  1043:20  Double)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 478, 443,
 igr2= 483, 484,  76,
 &end
#
#     9  ILE  HA      9  ILE  HG1-      4.5   (#  1044:20  Unique)
 &rst
  ixpk= 1044, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#     8  LEU  HB-     9  ILE  HG1+      5.5   (#  1045:20  Unique)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 102, 103,
 igr2= 127, 128,
 &end
#
#     6  LEU  MDY     6  LEU  HG        3.5   (#  1046:20  Unique)
 &rst
  ixpk= 1046, 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
#
#     0  AMB  20-2:1048   0  AMB  20-1:1048     5.5   (#  1048:20  Double)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01,
 igr1= 414, 415, 416, 418, 419, 420, 107, 108, 109, 111,
       112, 113, 595, 596,
 igr2= 127, 128, 127, 128, 127, 128,
 &end
#
#     9  ILE  HN      9  ILE  HG1+      3.5   (#  1049:20  Unique)
 &rst
  ixpk= 1049, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#     0  AMB  20-2:1050   0  AMB  20-1:1050     5.5   (#  1050:20  Double)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 445, 446, 513, 514,
 igr2=  76, 483, 484,
 &end
#
#    79  ILE  HN     78  ARG  HG+       5.5   (#  1051:20  Unique)
 &rst
  ixpk= 1051, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1150,1151,
 &end
#
#     0  AMB  20-2:1053   0  AMB  20-1:1053     4.5   (#  1053:20  Double)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1153,1154, 300, 301,
 igr2=1150,1151,1150,1151,
 &end
#
#     0  AMB  20-2:1054   0  AMB  20-1:1054     5.5   (#  1054:20  Double)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1153,1154, 300, 301,
 igr2=1150,1151,1150,1151,
 &end
#
#    79  ILE  HN     78  ARG  HG+       5.5   (#  1055:20  Unique)
 &rst
  ixpk= 1055, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1150,1151,
 &end
#
#    78  ARG  HB-    78  ARG  HG+       4.5   (#  1056:20  Unique)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1147,1148,
 igr2=1150,1151,
 &end
#
#    78  ARG  HD+    78  ARG  HG+       4.5   (#  1058:20  Unique)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#    35  ALA  HA      0  AMB  20-1:1063     4.5   (#  1063:20  Single)
 &rst
  ixpk= 1063, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 532, 533, 466, 467,
 &end
#
#    36  PRO  HG+    35  ALA  MB         7.0   (#  1064:20)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 532, 533,
 igr2= 522, 523, 524,
 &end
#
#     0  AMB  20-2:1065   0  AMB  20-1:1065     2.8   (#  1065:20  Double)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 463, 464, 529, 530,
 igr2= 466, 467, 532, 533,
 &end
#
#     0  AMB  20-2:1070   0  AMB  20-1:1070     3.5   (#  1070:20  Double)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 472, 146,
 igr2= 466, 467, 140, 141,
 &end
#
#    10  PRO  HD+    10  PRO  HG+       2.8   (#  1071:20  Unique)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 137, 138,
 igr2= 140, 141,
 &end
#
#    10  PRO  HG+    10  PRO  HB+        7.0   (#  1072:20)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 140, 141,
 igr2= 143, 144,
 &end
#
#     0  AMB  20-2:1073   0  AMB  20-1:1073     3.5   (#  1073:20  Double)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 463, 464, 529, 530,
 igr2= 466, 467, 532, 533,
 &end
#
#     0  AMB  20-2:1074   0  AMB  20-1:1074     4.5   (#  1074:20  Double)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 119,  49,
 igr2= 140, 141, 466, 467,
 &end
#
#     0  AMB  20-2:1075   0  AMB  20-1:1075     4.5   (#  1075:20  Double)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 472, 146,
 igr2= 466, 467, 140, 141,
 &end
#
#    31  PRO  HA     31  PRO  HG-       4.5   (#  1076:20  Unique)
 &rst
  ixpk= 1076, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#     0  AMB  20-2:1078   0  AMB  20-1:1078     3.5   (#  1078:20  Double)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 463, 464, 529, 530,
 igr2= 466, 467, 532, 533,
 &end
#
#     0  AMB  20-2:1079   0  AMB  20-1:1079     2.8   (#  1079:20  Double)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 469, 470, 535, 536,
 igr2= 466, 467, 532, 533,
 &end
#
#    25  ILE  HN     24  LEU  HG        5.5   (#  1080:20  Unique)
 &rst
  ixpk= 1080, nxpk= 20, iat= 365, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    24  LEU  HB+    24  LEU  HG        3.5   (#  1081:20  Unique)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#     9  ILE  HA     10  PRO  HG+       4.5   (#  1082:20  Unique)
 &rst
  ixpk= 1082, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 140, 141,
 &end
#
#    26  ARG  HA     26  ARG  HG-       5.5   (#  1083:20  Unique)
 &rst
  ixpk= 1083, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#     0  AMB  20-2:1084   0  AMB  20-1:1084     3.5   (#  1084:20  Double)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 463, 464, 529, 530,
 igr2= 466, 467, 532, 533,
 &end
#
#     0  AMB  20-2:1086  24  LEU  HG        2.8   (#  1086:20  Single)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1112,
      1113,1114,1116,1117,1118,
 &end
#
#    24  LEU  HB-    24  LEU  HG        3.5   (#  1089:20  Unique)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#    26  ARG  HB3    26  ARG  HG+       4.5   (#  1091:20  Unique)
 &rst
  ixpk= 1091, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#    26  ARG  HB2    26  ARG  HG-       5.5   (#  1092:20  Unique)
 &rst
  ixpk= 1092, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#    26  ARG  HB2    26  ARG  HG+       5.5   (#  1093:20  Unique)
 &rst
  ixpk= 1093, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#    31  PRO  HB+    31  PRO  HG+       2.8   (#  1094:20  Unique)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 469, 470,
 igr2= 466, 467,
 &end
#
#     0  AMB  20-2:1095   0  AMB  20-1:1095     2.8   (#  1095:20  Double)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1221,1222, 143, 144,
 igr2=1218,1219, 140, 141,
 &end
#
#    26  ARG  HD+    26  ARG  HG-       4.5   (#  1099:20  Unique)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#    26  ARG  HA     26  ARG  HG+       4.5   (#  1100:20  Unique)
 &rst
  ixpk= 1100, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#    26  ARG  HA     26  ARG  HG-       7.0   (#  1101:20  Unique)
 &rst
  ixpk= 1101, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 391, 392,
 &end
#
#    26  ARG  HD+    26  ARG  HG+       4.5   (#  1103:20  Unique)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#    24  LEU  HA     24  LEU  HG        5.5   (#  1104:20  Unique)
 &rst
  ixpk= 1104, nxpk= 20, iat= 348, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   104  ILE  HG1-   24  LEU  HG        4.5   (#  1107:20  Unique)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
#    25  ILE  HN     25  ILE  HG1+      5.5   (#  1112:20  Unique)
 &rst
  ixpk= 1112, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 375, 376,
 &end
#
#    26  ARG  HB2    26  ARG  HG+       5.5   (#  1115:20  Unique)
 &rst
  ixpk= 1115, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#    66  LYS  HB+    65  GLN  HB2       5.5   (#  1117:20  Unique)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1001,1002,
 &end
#
#    27  VAL  HN     26  ARG  HG-       4.5   (#  1118:20  Unique)
 &rst
  ixpk= 1118, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#   104  ILE  HN    104  ILE  HG1+      3.5   (#  1121:20  Unique)
 &rst
  ixpk= 1121, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#    82  GLN  HA      0  AMB  20-1:1122     2.8   (#  1122:20  Single)
 &rst
  ixpk= 1122, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1218,1219,1218,1219,
 &end
#
#   104  ILE  HA    104  ILE  HG1+      3.5   (#  1124:20  Unique)
 &rst
  ixpk= 1124, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#    57  TYR  HD     25  ILE  HG1+      4.5   (#  1127:20  Unique)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 870, 879,
 igr2= 375, 376,
 &end
#
#     0  AMB  20-2:1129   0  AMB  20-1:1129     3.5   (#  1129:20  Double)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1510,1511,1554,
 igr2=1560,1561,1560,1561,
 &end
#
#     0  AMB  20-2:1130   0  AMB  20-1:1130     2.8   (#  1130:20  Double)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1563,1564,1565,1556,1557,1558, 355, 356, 357, 359,
       360, 361,
 igr2=1560,1561,1560,1561,1560,1561,
 &end
#
#   104  ILE  HA    104  ILE  HG1-      3.5   (#  1132:20  Unique)
 &rst
  ixpk= 1132, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#     0  AMB  20-2:1133 104  ILE  HG1-      2.8   (#  1133:20  Single)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1563,1564,1565,1556,1557,1558, 355, 356, 357, 359,
       360, 361,
 igr2=1560,1561,
 &end
#
#    73  CYS  HA     25  ILE  HG1-      7.0   (#  1134:20  Unique)
 &rst
  ixpk= 1134, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 375, 376,
 &end
#
#     0  AMB  20-2:1137  25  ILE  HG1-      2.8   (#  1137:20  Single)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 336, 337, 338, 340, 341, 342, 378, 379, 380,
 igr2= 375, 376,
 &end
#
#    82  GLN  HN      0  AMB  20-1:1138     3.5   (#  1138:20  Single)
 &rst
  ixpk= 1138, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1218,1219,1218,1219,
 &end
#
#    57  TYR  HD     25  ILE  HG1-      4.5   (#  1142:20  Unique)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 870, 879,
 igr2= 375, 376,
 &end
#
#     0  AMB  20-2:1143 104  ILE  HG1-      4.5   (#  1143:20  Single)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 igr2=1560,1561,
 &end
#
#    73  CYS  HA     25  ILE  HG1-      5.5   (#  1144:20  Unique)
 &rst
  ixpk= 1144, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 375, 376,
 &end
#
#     0  AMB  20-2:1146 104  ILE  HG1-      2.8   (#  1146:20  Single)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1510,1511,1554,
 igr2=1560,1561,
 &end
#
#   104  ILE  HN    104  ILE  HG1-      3.5   (#  1147:20  Unique)
 &rst
  ixpk= 1147, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#    64  MET  HB2    65  GLN  HB2       4.5   (#  1149:20  Unique)
 &rst
  ixpk= 1149, nxpk= 20, iat= 967, 984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1150   0  AMB  20-1:1150     2.8   (#  1150:20  Double)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 336, 337, 338, 340, 341, 342, 378, 379, 380,
 igr2= 375, 376, 375, 376,
 &end
#
#     0  AMB  20-2:1151  26  ARG  HG-       5.5   (#  1151:20  Single)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 412, 592, 593,
 igr2= 391, 392,
 &end
#
#    57  TYR  HE     25  ILE  HG1-      5.5   (#  1152:20  Unique)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2= 375, 376,
 &end
#
#     0  AMB  20-2:1155   0  AMB  20-1:1155     4.5   (#  1155:20  Double)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 igr2=1560,1561,1560,1561,
 &end
#
#    66  LYS  HB+    65  GLN  HB3       5.5   (#  1156:20  Unique)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1001,1002,
 &end
#
#    25  ILE  HN     25  ILE  HG1-      5.5   (#  1160:20  Unique)
 &rst
  ixpk= 1160, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 375, 376,
 &end
#
#   101  GLN  HB-   104  ILE  HG1-      4.5   (#  1161:20  Unique)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1510,1511,
 igr2=1560,1561,
 &end
#
#    62  GLY  HA-    65  GLN  HB2       4.5   (#  1162:20  Unique)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 946, 947,
 &end
#
#    65  GLN  HG+    65  GLN  HB3       4.5   (#  1166:20  Unique)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
#     0  AMB  20-2:1167   0  AMB  20-1:1167     5.5   (#  1167:20  Double)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 667, 668, 635, 636,
 igr2= 375, 376, 375, 376,
 &end
#
#    65  GLN  HG-    65  GLN  HB2       2.8   (#  1169:20  Unique)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 987, 988,
 &end
#
#    66  LYS  HN     65  GLN  HB2       3.5   (#  1170:20  Unique)
 &rst
  ixpk= 1170, nxpk= 20, iat= 997, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1172  65  GLN  HB2       4.5   (#  1172:20  Single)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 999, 935,1038,1039,
 &end
#
#    65  GLN  HA     65  GLN  HB3       2.8   (#  1173:20  Unique)
 &rst
  ixpk= 1173, nxpk= 20, iat= 982, 985, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    65  GLN  HN     65  GLN  HB2       2.8   (#  1175:20  Unique)
 &rst
  ixpk= 1175, nxpk= 20, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    65  GLN  HG-    65  GLN  HB3       2.8   (#  1176:20  Unique)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 987, 988,
 &end
#
#    65  GLN  HA     65  GLN  HB2       3.5   (#  1178:20  Unique)
 &rst
  ixpk= 1178, nxpk= 20, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    65  GLN  HG+    65  GLN  HB2       3.5   (#  1179:20  Unique)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#    65  GLN  HN     65  GLN  HB3       3.5   (#  1180:20  Unique)
 &rst
  ixpk= 1180, 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   (#  1181:20  Unique)
 &rst
  ixpk= 1181, nxpk= 20, iat= 997, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    24  LEU  HG    104  ILE  HG1-      4.5   (#  1182:20  Unique)
 &rst
  ixpk= 1182, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1560,1561,
 &end
#
#    62  GLY  HA-    65  GLN  HB3       4.5   (#  1183:20  Unique)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 946, 947,
 &end
#
#    62  GLY  HA+    65  GLN  HB3       5.5   (#  1184:20  Unique)
 &rst
  ixpk= 1184, 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   (#  1185:20  Unique)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#     0  AMB  20-2:1187  65  GLN  HB3       5.5   (#  1187:20  Single)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 999,1038,1039,
 &end
#
#   108  LYS  HB2   108  LYS  HD+       4.5   (#  1188:20  Unique)
 &rst
  ixpk= 1188, nxpk= 20, iat=1613,  -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   (#  1191:20  Unique)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#     0  AMB  20-2:1193   0  AMB  20-1:1193     5.5   (#  1193:20  Double)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1= 650, 651, 652, 654, 655, 656,1556,1557,1558, 168,
       169, 170, 172, 173, 174,
 igr2=1619,1620,1619,1620,1619,1620,
 &end
#
#     0  AMB  20-2:1194 108  LYS  HD-       3.5   (#  1194:20  Single)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 154, 155,1622,1623,
 igr2=1619,1620,
 &end
#
#   108  LYS  HA    108  LYS  HD+       4.5   (#  1195:20  Unique)
 &rst
  ixpk= 1195, 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   (#  1196:20  Unique)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#   108  LYS  HA    108  LYS  HD-       4.5   (#  1197:20  Unique)
 &rst
  ixpk= 1197, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1619,1620,
 &end
#
#    79  ILE  HA     79  ILE  HG1+      5.5   (#  1200:20  Unique)
 &rst
  ixpk= 1200, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
#     0  AMB  20-2:1202  79  ILE  HG1-      3.5   (#  1202:20  Single)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1357,1358,1359,1361,1362,1363,1171,
 igr2=1177,1178,
 &end
#
#    79  ILE  QD1    79  ILE  HG1+      3.5   (#  1203:20  Unique)
 &rst
  ixpk= 1203, 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
#
#    12  VAL  HB    112  LYS  HD+       4.5   (#  1204:20  Unique)
 &rst
  ixpk= 1204, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1692,1693,
 &end
#
#    79  ILE  QD1    79  ILE  HG1-      3.5   (#  1205:20  Unique)
 &rst
  ixpk= 1205, 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
#
#    90  VAL  MGY    79  ILE  HG1-      4.5   (#  1207:20  Unique)
 &rst
  ixpk= 1207, 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  20-2:1210   0  AMB  20-1:1210     3.5   (#  1210:20  Double)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1357,1358,1359,1361,1362,1363,1171,
 igr2=1177,1178,1177,1178,
 &end
#
#    49  TRP  HE3    49  TRP  HB-       5.5   (#  1211:20  Unique)
 &rst
  ixpk= 1211, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 738, 739,
 &end
#
#     0  AMB  20-2:1212   0  AMB  20-1:1212     5.5   (#  1212:20  Double)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1353, 289,
 igr2=1177,1178,1177,1178,
 &end
#
#    79  ILE  HA     79  ILE  HG1+      4.5   (#  1215:20  Unique)
 &rst
  ixpk= 1215, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1177,1178,
 &end
#
#     0  AMB  20-2:1216   0  AMB  20-1:1216     4.5   (#  1216:20  Double)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1684, 770,
 igr2=1692,1693, 297, 298,
 &end
#
#    49  TRP  HD1    49  TRP  HB-       4.5   (#  1217:20  Unique)
 &rst
  ixpk= 1217, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#     0  AMB  20-2:1218   0  AMB  20-1:1218     3.5   (#  1218:20  Double)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1684, 770,
 igr2=1692,1693, 297, 298,
 &end
#
#     0  AMB  20-2:1219 112  LYS  HD-       3.5   (#  1219:20  Single)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,
 &end
#
#    90  VAL  MGY    79  ILE  HG1+      3.5   (#  1220:20  Unique)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1177,1178,
 &end
#
#     0  AMB  20-2:1223   0  AMB  20-1:1223     4.5   (#  1223:20  Double)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1695,1696, 300, 301,
 igr2=1692,1693, 297, 298,
 &end
#
#     0  AMB  20-2:1225   0  AMB  20-1:1225     2.8   (#  1225:20  Double)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,1692,1693,
 &end
#
#    49  TRP  HA     49  TRP  HB+       2.8   (#  1229:20  Unique)
 &rst
  ixpk= 1229, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 738, 739,
 &end
#
#    49  TRP  HD1    49  TRP  HB+       4.5   (#  1231:20  Unique)
 &rst
  ixpk= 1231, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#    79  ILE  HA     79  ILE  HG1-      5.5   (#  1232:20  Unique)
 &rst
  ixpk= 1232, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
#    56  ILE  HB     56  ILE  HG1+      5.5   (#  1233:20  Unique)
 &rst
  ixpk= 1233, nxpk= 20, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 853, 854,
 &end
#
#    56  ILE  HB     56  ILE  HG1+      7.0   (#  1234:20  Unique)
 &rst
  ixpk= 1234, nxpk= 20, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 853, 854,
 &end
#
#    12  VAL  MGY   112  LYS  HD+       4.5   (#  1236:20  Unique)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,
 &end
#
#    49  TRP  HA     49  TRP  HB-       2.8   (#  1237:20  Unique)
 &rst
  ixpk= 1237, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 738, 739,
 &end
#
#    49  TRP  HE3    49  TRP  HB-       7.0   (#  1238:20  Unique)
 &rst
  ixpk= 1238, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 738, 739,
 &end
#
#    49  TRP  HE3    49  TRP  HB+       4.5   (#  1241:20  Unique)
 &rst
  ixpk= 1241, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#     0  AMB  20-2:1242   0  AMB  20-1:1242     4.5   (#  1242:20  Double)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1695,1696, 300, 301,
 igr2=1692,1693, 297, 298,
 &end
#
#     0  AMB  20-2:1247   0  AMB  20-1:1247     3.5   (#  1247:20  Double)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1695,1696, 300, 301,
 igr2=1692,1693, 297, 298,
 &end
#
#    56  ILE  HN     56  ILE  HG1+      4.5   (#  1254:20  Unique)
 &rst
  ixpk= 1254, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 853, 854,
 &end
#
#    56  ILE  HN     56  ILE  HG1-      3.5   (#  1255:20  Unique)
 &rst
  ixpk= 1255, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 853, 854,
 &end
#
#    56  ILE  QD1    56  ILE  HG1+      3.5   (#  1256:20  Unique)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858,
 igr2= 853, 854,
 &end
#
#     0  AMB  20-2:1258   0  AMB  20-1:1258     2.8   (#  1258:20  Double)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 853, 854, 853, 854, 853, 854,
 &end
#
#     0  AMB  20-2:1262  56  ILE  HG1-      2.8   (#  1262:20  Single)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 853, 854,
 &end
#
#    56  ILE  HA     56  ILE  HG1+      4.5   (#  1263:20  Unique)
 &rst
  ixpk= 1263, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 853, 854,
 &end
#
#     0  AMB  20-2:1266   0  AMB  20-1:1266     2.8   (#  1266:20  Double)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 908, 909,1695,1696, 300, 301,
 igr2= 905, 906,1692,1693, 297, 298,
 &end
#
#    49  TRP  HH2    59  LYS  HD+       4.5   (#  1268:20  Unique)
 &rst
  ixpk= 1268, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 905, 906,
 &end
#
#    59  LYS  HA     59  LYS  HD+       4.5   (#  1269:20  Unique)
 &rst
  ixpk= 1269, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 905, 906,
 &end
#
#    49  TRP  HZ2    59  LYS  HD+       4.5   (#  1270:20  Unique)
 &rst
  ixpk= 1270, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 905, 906,
 &end
#
#    59  LYS  HB+    59  LYS  HD+       2.8   (#  1272:20  Unique)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 899, 900,
 igr2= 905, 906,
 &end
#
#    59  LYS  HG+    59  LYS  HD+       2.8   (#  1274:20  Unique)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 902, 903,
 igr2= 905, 906,
 &end
#
#     0  AMB  20-2:1276   0  AMB  20-1:1276     3.5   (#  1276:20  Double)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1616,1617,1619,1620,1660,1661,
 igr2=1598,1599,1598,1599,1598,1599,
 &end
#
#     0  AMB  20-2:1277   0  AMB  20-1:1277     3.5   (#  1277:20  Double)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1654,1655,1660,1661,1613,1554,
 igr2=1598,1599,1598,1599,1598,1599,1598,1599,
 &end
#
#     0  AMB  20-2:1278   0  AMB  20-1:1278     3.5   (#  1278:20  Double)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 847,1791,
 igr2= 853, 854,1660,1661,
 &end
#
#     0  AMB  20-2:1279   0  AMB  20-1:1279     3.5   (#  1279:20  Double)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 845,1652, 787, 788,
 igr2= 853, 854, 905, 906,1660,1661, 297, 298,
 &end
#
#    66  LYS  HA     66  LYS  HD+       4.5   (#  1280:20  Unique)
 &rst
  ixpk= 1280, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1007,1008,
 &end
#
#   104  ILE  QG2   107  GLU  HB+       4.5   (#  1283:20  Unique)
 &rst
  ixpk= 1283, 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
#
#    63  ASP  HA     66  LYS  HD+       4.5   (#  1284:20  Unique)
 &rst
  ixpk= 1284, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1007,1008,
 &end
#
#   104  ILE  HA    107  GLU  HB+       3.5   (#  1286:20  Unique)
 &rst
  ixpk= 1286, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1598,1599,
 &end
#
#    66  LYS  HG-    66  LYS  HD+       2.8   (#  1287:20  Unique)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#   107  GLU  HN    107  GLU  HB+       2.8   (#  1288:20  Unique)
 &rst
  ixpk= 1288, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1598,1599,
 &end
#
#     0  AMB  20-2:1289   0  AMB  20-1:1289     5.5   (#  1289:20  Double)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1=1619,1620,1676,1677,1678,1560,1561,
 igr2=1598,1599,1598,1599,1598,1599,
 &end
#
#   107  GLU  HG-   107  GLU  HB+       2.8   (#  1290:20  Unique)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1601,1602,
 igr2=1598,1599,
 &end
#
#    66  LYS  HE+    66  LYS  HD+       2.8   (#  1291:20  Unique)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1010,1011,
 igr2=1007,1008,
 &end
#
#   107  GLU  HG+   107  GLU  HB+       2.8   (#  1292:20  Unique)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1601,1602,
 igr2=1598,1599,
 &end
#
#   107  GLU  HA    107  GLU  HB+       2.8   (#  1294:20  Unique)
 &rst
  ixpk= 1294, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1598,1599,
 &end
#
#    66  LYS  HB+    66  LYS  HD+       2.8   (#  1295:20  Unique)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1001,1002,
 igr2=1007,1008,
 &end
#
#    87  LYS  HB+    87  LYS  HD+       2.8   (#  1296:20  Unique)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1297,1298,
 igr2=1303,1304,
 &end
#
#   108  LYS  HA    107  GLU  HB+       5.5   (#  1297:20  Unique)
 &rst
  ixpk= 1297, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1598,1599,
 &end
#
#     0  AMB  20-2:1298   0  AMB  20-1:1298     5.5   (#  1298:20  Double)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1586,1587,1588, 923, 924, 925, 927, 928, 929,1809,
      1810,1811,
 igr2=1660,1661, 905, 906,
 &end
#
#    66  LYS  HN     66  LYS  HD+       4.5   (#  1301:20  Unique)
 &rst
  ixpk= 1301, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1007,1008,
 &end
#
#   110  LYS  HE-   110  LYS  HD-       4.5   (#  1302:20  Unique)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1660,1661,
 &end
#
#   110  LYS  HG-   110  LYS  HD+       3.5   (#  1303:20  Unique)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1660,1661,
 &end
#
#   108  LYS  HG+   107  GLU  HB+       5.5   (#  1311:20  Unique)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1616,1617,
 igr2=1598,1599,
 &end
#
#   118  VAL  MGY   110  LYS  HD+       4.5   (#  1313:20  Unique)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1660,1661,
 &end
#
#   110  LYS  HN    110  LYS  HD-       5.5   (#  1314:20  Unique)
 &rst
  ixpk= 1314, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1660,1661,
 &end
#
#   110  LYS  HA    110  LYS  HD+       5.5   (#  1315:20  Unique)
 &rst
  ixpk= 1315, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1660,1661,
 &end
#
#   110  LYS  HE+   110  LYS  HD-       3.5   (#  1317:20  Unique)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1663,1664,
 igr2=1660,1661,
 &end
#
#   110  LYS  HE-   110  LYS  HD+       4.5   (#  1318:20  Unique)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1660,1661,
 &end
#
#    87  LYS  HG-    87  LYS  HD+       2.8   (#  1319:20  Unique)
 &rst
  ixpk= 1319, 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+       2.8   (#  1321:20  Unique)
 &rst
  ixpk= 1321, 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-       2.8   (#  1325:20  Unique)
 &rst
  ixpk= 1325, 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  HE+    87  LYS  HD+       3.5   (#  1326:20  Unique)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1306,1307,
 igr2=1303,1304,
 &end
#
#    87  LYS  HE+    87  LYS  HD-       2.8   (#  1327:20  Unique)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1306,1307,
 igr2=1303,1304,
 &end
#
#    87  LYS  HG-    87  LYS  HD-       3.5   (#  1328:20  Unique)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#     4  ALA  MB     67  GLN  HB3       4.5   (#  1330:20  Unique)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#    54  ALA  HN     53  HIS  HB+       5.5   (#  1331:20  Unique)
 &rst
  ixpk= 1331, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#    97  TYR  HD     53  HIS  HB-       5.5   (#  1332:20  Unique)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#    67  GLN  HN     67  GLN  HB3       4.5   (#  1333:20  Unique)
 &rst
  ixpk= 1333, nxpk= 20, iat=1019,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    64  MET  HA     67  GLN  HB2       4.5   (#  1336:20  Unique)
 &rst
  ixpk= 1336, nxpk= 20, iat= 965,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    67  GLN  HA     67  GLN  HB2       3.5   (#  1337:20  Unique)
 &rst
  ixpk= 1337, nxpk= 20, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HA     67  GLN  HB3       2.8   (#  1338:20  Unique)
 &rst
  ixpk= 1338, 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   (#  1339:20  Unique)
 &rst
  ixpk= 1339, nxpk= 20, iat=1019,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    68  GLY  HN     67  GLN  HB2       5.5   (#  1340:20  Unique)
 &rst
  ixpk= 1340, nxpk= 20, iat=1036,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    53  HIS  HA     53  HIS  HB-       3.5   (#  1342:20  Unique)
 &rst
  ixpk= 1342, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 808, 809,
 &end
#
#     0  AMB  20-2:1344   0  AMB  20-1:1344     3.5   (#  1344:20  Double)
 &rst
  ixpk= 1344, 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= 808, 809, 808, 809,
 &end
#
#    97  TYR  HE     53  HIS  HB+       5.5   (#  1345:20  Unique)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2= 808, 809,
 &end
#
#    53  HIS  HA     53  HIS  HB+       5.5   (#  1346:20  Unique)
 &rst
  ixpk= 1346, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#    97  TYR  HE     53  HIS  HB-       5.5   (#  1352:20  Unique)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2= 808, 809,
 &end
#
#     0  AMB  20-2:1353  53  HIS  HB-       3.5   (#  1353:20  Single)
 &rst
  ixpk= 1353, 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= 808, 809,
 &end
#
#    54  ALA  HN     53  HIS  HB-       5.5   (#  1357:20  Unique)
 &rst
  ixpk= 1357, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#    97  TYR  HD     53  HIS  HB-       5.5   (#  1358:20  Unique)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#    64  MET  HA     67  GLN  HB3       5.5   (#  1359:20  Unique)
 &rst
  ixpk= 1359, nxpk= 20, iat= 965,1024, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    97  TYR  HD     53  HIS  HB+       4.5   (#  1360:20  Unique)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#    53  HIS  HA     53  HIS  HB+       4.5   (#  1361:20  Unique)
 &rst
  ixpk= 1361, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#    42  GLU  HG+    42  GLU  HB-       3.5   (#  1364:20  Unique)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 617, 618,
 igr2= 614, 615,
 &end
#
#    42  GLU  HA     42  GLU  HB-       3.5   (#  1366:20  Unique)
 &rst
  ixpk= 1366, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#    43  ILE  HN     41  LYS  HD-       5.5   (#  1367:20  Unique)
 &rst
  ixpk= 1367, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 598, 599,
 &end
#
#     9  ILE  QD1    41  LYS  HD-       2.8   (#  1368:20  Unique)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 130, 131, 132,
 igr2= 598, 599,
 &end
#
#    43  ILE  HN     42  GLU  HB-       5.5   (#  1369:20  Unique)
 &rst
  ixpk= 1369, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#    41  LYS  HE-    41  LYS  HD+       4.5   (#  1370:20  Unique)
 &rst
  ixpk= 1370, 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  HE+    41  LYS  HD+       4.5   (#  1371:20  Unique)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#    43  ILE  HN     42  GLU  HB+       5.5   (#  1372:20  Unique)
 &rst
  ixpk= 1372, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#   108  LYS  HE+    42  GLU  HB-       5.5   (#  1373:20  Unique)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2= 614, 615,
 &end
#
#   108  LYS  HE+    42  GLU  HB+       5.5   (#  1374:20  Unique)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2= 614, 615,
 &end
#
#    24  LEU  MDY    42  GLU  HB+       4.5   (#  1375:20  Unique)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 614, 615,
 &end
#
#    42  GLU  HN     42  GLU  HB+       3.5   (#  1376:20  Unique)
 &rst
  ixpk= 1376, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#    43  ILE  HN     42  GLU  HB+       5.5   (#  1377:20  Unique)
 &rst
  ixpk= 1377, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#    41  LYS  HE-    41  LYS  HD-       4.5   (#  1378:20  Unique)
 &rst
  ixpk= 1378, 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  HA     42  GLU  HB+       4.5   (#  1379:20  Unique)
 &rst
  ixpk= 1379, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#     0  AMB  20-2:1381   0  AMB  20-1:1381     3.5   (#  1381:20  Double)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,
 igr2= 614, 615, 614, 615,
 &end
#
#    42  GLU  HN     42  GLU  HB-       4.5   (#  1382:20  Unique)
 &rst
  ixpk= 1382, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#     0  AMB  20-2:1383   0  AMB  20-1:1383     3.5   (#  1383:20  Double)
 &rst
  ixpk= 1383, 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= 598, 599, 598, 599,
 &end
#
#    41  LYS  HG+    41  LYS  HD-       4.5   (#  1384:20  Unique)
 &rst
  ixpk= 1384, 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  HE+    41  LYS  HD-       4.5   (#  1385:20  Unique)
 &rst
  ixpk= 1385, 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   (#  1386:20  Unique)
 &rst
  ixpk= 1386, 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  20-2:1389  69  CYS  HB2       4.5   (#  1389:20  Single)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 982,
 &end
#
#    64  MET  HB2    69  CYS  HB2       4.5   (#  1390:20  Unique)
 &rst
  ixpk= 1390, nxpk= 20, iat= 967,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    41  LYS  HA     41  LYS  HD-       5.5   (#  1392:20  Unique)
 &rst
  ixpk= 1392, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 598, 599,
 &end
#
#     0  AMB  20-2:1393 117  GLU  HB-       4.5   (#  1393:20  Single)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1303,1304,1303,1304,
 igr2=1776,1777,
 &end
#
#    27  VAL  MGY    69  CYS  HB3       2.8   (#  1395:20  Unique)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    27  VAL  MGY    69  CYS  HB2       3.5   (#  1396:20  Unique)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    64  MET  HB2    69  CYS  HB3       4.5   (#  1397:20  Unique)
 &rst
  ixpk= 1397, nxpk= 20, iat= 967,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    64  MET  HB3    69  CYS  HB2       3.5   (#  1399:20  Unique)
 &rst
  ixpk= 1399, nxpk= 20, iat= 968,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    70  ASP  HN     69  CYS  HB3       4.5   (#  1400:20  Unique)
 &rst
  ixpk= 1400, nxpk= 20, iat=1054,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    69  CYS  HA     69  CYS  HB3       2.8   (#  1406:20  Unique)
 &rst
  ixpk= 1406, nxpk= 20, iat=1045,1048, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    69  CYS  HA     69  CYS  HB2       3.5   (#  1407:20  Unique)
 &rst
  ixpk= 1407, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1410  69  CYS  HB2       5.5   (#  1410:20  Single)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#    64  MET  HB3    69  CYS  HB3       3.5   (#  1411:20  Unique)
 &rst
  ixpk= 1411, nxpk= 20, iat= 968,1048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    69  CYS  HN     69  CYS  HB2       3.5   (#  1412:20  Unique)
 &rst
  ixpk= 1412, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    69  CYS  HN     69  CYS  HB3       4.5   (#  1414:20  Unique)
 &rst
  ixpk= 1414, nxpk= 20, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1421   0  AMB  20-1:1421     3.5   (#  1421:20  Double)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 igr2=1641,1642,1641,1642,
 &end
#
#    51  GLU  HN     51  GLU  HB+       3.5   (#  1427:20  Unique)
 &rst
  ixpk= 1427, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#    51  GLU  HA     51  GLU  HB+       3.5   (#  1428:20  Unique)
 &rst
  ixpk= 1428, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#    52  TYR  HD     51  GLU  HB+       4.5   (#  1429:20  Unique)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 800,
 igr2= 772, 773,
 &end
#
#   109  ILE  HA    109  ILE  HG1+      5.5   (#  1434:20  Unique)
 &rst
  ixpk= 1434, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#   109  ILE  QD1   109  ILE  HG1-      3.5   (#  1435:20  Unique)
 &rst
  ixpk= 1435, 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
#
#    52  TYR  HE     51  GLU  HB+       5.5   (#  1436:20  Unique)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 793, 798,
 igr2= 772, 773,
 &end
#
#    87  LYS  HB+   117  GLU  HB+       4.5   (#  1437:20  Unique)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1776,1777,
 &end
#
#   117  GLU  HG-   117  GLU  HB-       2.8   (#  1444:20  Unique)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1779,1780,
 igr2=1776,1777,
 &end
#
#    51  GLU  HA     51  GLU  HB-       2.8   (#  1445:20  Unique)
 &rst
  ixpk= 1445, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 772, 773,
 &end
#
#     0  AMB  20-2:1446   0  AMB  20-1:1446     5.5   (#  1446:20  Double)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 760, 736,
 igr2= 772, 773, 772, 773,
 &end
#
#   117  GLU  HA    117  GLU  HB+       3.5   (#  1447:20  Unique)
 &rst
  ixpk= 1447, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#   117  GLU  HA    117  GLU  HB-       3.5   (#  1448:20  Unique)
 &rst
  ixpk= 1448, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#    52  TYR  HE     51  GLU  HB-       5.5   (#  1449:20  Unique)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 793, 798,
 igr2= 772, 773,
 &end
#
#    52  TYR  HD     51  GLU  HB-       4.5   (#  1450:20  Unique)
 &rst
  ixpk= 1450, 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  HN     51  GLU  HB-       3.5   (#  1451:20  Unique)
 &rst
  ixpk= 1451, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#   118  VAL  HN    117  GLU  HB-       4.5   (#  1453:20  Unique)
 &rst
  ixpk= 1453, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1776,1777,
 &end
#
#    51  GLU  HN     51  GLU  HB-       3.5   (#  1454:20  Unique)
 &rst
  ixpk= 1454, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#    87  LYS  HG-   117  GLU  HB-       4.5   (#  1455:20  Unique)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#    87  LYS  HG+   117  GLU  HB+       5.5   (#  1456:20  Unique)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#     0  AMB  20-2:1457   0  AMB  20-1:1457     5.5   (#  1457:20  Double)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1303,1304,1303,1304,
 igr2=1776,1777,1776,1777,
 &end
#
#     0  AMB  20-2:1459 109  ILE  HG1-      3.5   (#  1459:20  Single)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 igr2=1641,1642,
 &end
#
#   109  ILE  HN    109  ILE  HG1+      4.5   (#  1460:20  Unique)
 &rst
  ixpk= 1460, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1641,1642,
 &end
#
#     0  AMB  20-2:1461 109  ILE  HG1-      4.5   (#  1461:20  Single)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1633,1574,
 igr2=1641,1642,
 &end
#
#   117  GLU  HG+   117  GLU  HB-       3.5   (#  1462:20  Unique)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1779,1780,
 igr2=1776,1777,
 &end
#
#   109  ILE  QD1   109  ILE  HG1+      3.5   (#  1463:20  Unique)
 &rst
  ixpk= 1463, 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
#
#    12  VAL  MGY   109  ILE  HG1-      4.5   (#  1464:20  Unique)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1641,1642,
 &end
#
#     0  AMB  20-2:1465 109  ILE  HG1-      4.5   (#  1465:20  Single)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1635,1614,
 igr2=1641,1642,
 &end
#
#   109  ILE  HA    109  ILE  HG1+      5.5   (#  1466:20  Unique)
 &rst
  ixpk= 1466, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#   109  ILE  HN    109  ILE  HG1-      5.5   (#  1468:20  Unique)
 &rst
  ixpk= 1468, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#    87  LYS  HG-   117  GLU  HB+       4.5   (#  1470:20  Unique)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#   118  VAL  HN    117  GLU  HB+       5.5   (#  1472:20  Unique)
 &rst
  ixpk= 1472, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    52  TYR  HN     51  GLU  HB+       3.5   (#  1475:20  Unique)
 &rst
  ixpk= 1475, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#     0  AMB  20-2:1476  51  GLU  HB-       4.5   (#  1476:20  Single)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 760, 736,
 igr2= 772, 773,
 &end
#
#     0  AMB  20-2:1481   0  AMB  20-1:1481     5.5   (#  1481:20  Double)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 760, 736,
 igr2= 772, 773, 772, 773,
 &end
#
#   102  HIS  HA    102  HIS  HB3       3.5   (#  1489:20  Unique)
 &rst
  ixpk= 1489, nxpk= 20, iat=1525,1528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1492 102  HIS  HB2       5.5   (#  1492:20  Single)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1821,1822,1821,1822,
 &end
#
#     0  AMB  20-2:1493 102  HIS  HB3       5.5   (#  1493:20  Single)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1834,1832,1496,1594,
 &end
#
#     0  AMB  20-2:1494 102  HIS  HB2       5.5   (#  1494:20  Single)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1834,1832,
 &end
#
#    90  VAL  MGX   102  HIS  HB3       3.5   (#  1498:20  Unique)
 &rst
  ixpk= 1498, 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
#
#    90  VAL  MGX   102  HIS  HB2       5.5   (#  1499:20  Unique)
 &rst
  ixpk= 1499, 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
#
#   102  HIS  HA    102  HIS  HB2       3.5   (#  1500:20  Unique)
 &rst
  ixpk= 1500, nxpk= 20, iat=1525,1527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   102  HIS  HN    102  HIS  HB2       4.5   (#  1501:20  Unique)
 &rst
  ixpk= 1501, nxpk= 20, iat=1523,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   102  HIS  HN    102  HIS  HB3       4.5   (#  1504:20  Unique)
 &rst
  ixpk= 1504, nxpk= 20, iat=1523,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    93  TYR  HB+    99  PRO  HB+       4.5   (#  1505:20  Unique)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1399,1400,
 igr2=1489,1490,
 &end
#
#     0  AMB  20-2:1506 102  HIS  HB2       4.5   (#  1506:20  Single)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1821,1822,1821,1822,
 &end
#
#    90  VAL  HB    102  HIS  HB3       5.5   (#  1507:20  Unique)
 &rst
  ixpk= 1507, nxpk= 20, iat=1355,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:1510 102  HIS  HB2       5.5   (#  1510:20  Single)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1834,1832,
 &end
#
#    99  PRO  HA     99  PRO  HB+       4.5   (#  1519:20  Unique)
 &rst
  ixpk= 1519, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
#   100  ALA  HN     99  PRO  HB-       5.5   (#  1520:20  Unique)
 &rst
  ixpk= 1520, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1489,1490,
 &end
#
#    99  PRO  HA     99  PRO  HB-       4.5   (#  1523:20  Unique)
 &rst
  ixpk= 1523, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
#   108  LYS  HA    108  LYS  HB2       4.5   (#  1524:20  Unique)
 &rst
  ixpk= 1524, nxpk= 20, iat=1611,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   108  LYS  HG+   108  LYS  HB3       5.5   (#  1525:20  Unique)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1616,1617,
 &end
#
#   108  LYS  HD-   108  LYS  HB2       4.5   (#  1526:20  Unique)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1619,1620,
 &end
#
#   108  LYS  HG+   108  LYS  HB2       3.5   (#  1527:20  Unique)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1616,1617,
 &end
#
#   108  LYS  HD-   108  LYS  HB3       4.5   (#  1528:20  Unique)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1619,1620,
 &end
#
#   108  LYS  HG+   108  LYS  HB3       3.5   (#  1533:20  Unique)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1616,1617,
 &end
#
#    44  VAL  MGY   108  LYS  HB3       5.5   (#  1535:20  Unique)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   108  LYS  HN    108  LYS  HB3       5.5   (#  1536:20  Unique)
 &rst
  ixpk= 1536, nxpk= 20, iat=1609,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    81  HIS  HA     81  HIS  HB-       5.5   (#  1539:20  Unique)
 &rst
  ixpk= 1539, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1201,1202,
 &end
#
#   108  LYS  HA    108  LYS  HB3       3.5   (#  1540:20  Unique)
 &rst
  ixpk= 1540, nxpk= 20, iat=1611,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   108  LYS  HN    108  LYS  HB2       3.5   (#  1541:20  Unique)
 &rst
  ixpk= 1541, nxpk= 20, iat=1609,1613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1542 108  LYS  HB3       3.5   (#  1542:20  Single)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,1614, 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
#
#   108  LYS  HN    108  LYS  HB3       4.5   (#  1551:20  Unique)
 &rst
  ixpk= 1551, nxpk= 20, iat=1609,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1557   0  AMB  20-1:1557     3.5   (#  1557:20  Double)
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1112,1113,1114,1116,1117,1118, 650, 651, 652, 654,
       655, 656, 168, 169, 170, 172, 173, 174,
 igr2= 388,1613,
 &end
#
#   108  LYS  HA    108  LYS  HB2       4.5   (#  1559:20  Unique)
 &rst
  ixpk= 1559, nxpk= 20, iat=1611,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10  PRO  HD+    10  PRO  HB-       5.5   (#  1561:20  Unique)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#    81  HIS  HA     81  HIS  HB+       4.5   (#  1562:20  Unique)
 &rst
  ixpk= 1562, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1201,1202,
 &end
#
#     0  AMB  20-2:1565   0  AMB  20-1:1565     3.5   (#  1565:20  Double)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1112,1113,1114,1116,1117,1118, 123, 124, 125,
 igr2= 389, 143, 144,
 &end
#
#    26  ARG  HN     26  ARG  HB3       4.5   (#  1566:20  Unique)
 &rst
  ixpk= 1566, nxpk= 20, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    95  MET  HG-    95  MET  HB+       4.5   (#  1568:20  Unique)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1435,
 igr2=1431,1432,
 &end
#
#    26  ARG  HN     26  ARG  HB2       4.5   (#  1569:20  Unique)
 &rst
  ixpk= 1569, nxpk= 20, iat= 384, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    95  MET  HG+    95  MET  HB-       4.5   (#  1571:20  Unique)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1435,
 igr2=1431,1432,
 &end
#
#     6  LEU  MDX    39  GLU  HB+       3.5   (#  1575:20  Unique)
 &rst
  ixpk= 1575, 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
#
#    95  MET  HA     95  MET  HB+       5.5   (#  1580:20  Unique)
 &rst
  ixpk= 1580, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1431,1432,
 &end
#
#    81  HIS  HA     81  HIS  HB-       5.5   (#  1581:20  Unique)
 &rst
  ixpk= 1581, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1201,1202,
 &end
#
#     0  AMB  20-2:1582   0  AMB  20-1:1582     3.5   (#  1582:20  Double)
 &rst
  ixpk= 1582, 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
#
#    26  ARG  HA     26  ARG  HB3       5.5   (#  1583:20  Unique)
 &rst
  ixpk= 1583, nxpk= 20, iat= 386, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    74  LEU  MDY    26  ARG  HB3       4.5   (#  1585:20  Unique)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    39  GLU  HB-     6  LEU  MDX        7.0   (#  1587:20)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    95  MET  HG+    95  MET  HB+       4.5   (#  1589:20  Unique)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1435,
 igr2=1431,1432,
 &end
#
#     0  AMB  20-2:1590   0  AMB  20-1:1590     4.5   (#  1590:20  Double)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1429, 965,
 igr2=1431,1432, 967,
 &end
#
#    35  ALA  MB     31  PRO  HB-       4.5   (#  1593:20  Unique)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 522, 523, 524,
 igr2= 469, 470,
 &end
#
#     0  AMB  20-2:1595   0  AMB  20-1:1595     3.5   (#  1595:20  Double)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 463, 464, 529, 530,
 igr2= 469, 470, 535, 536,
 &end
#
#     0  AMB  20-2:1597   0  AMB  20-1:1597     4.5   (#  1597:20  Double)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 984, 985,
 igr2=1001,1002,1001,1002,
 &end
#
#     0  AMB  20-2:1598   0  AMB  20-1:1598     3.5   (#  1598:20  Double)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 577, 562, 476,
 igr2= 566, 567, 480, 481,
 &end
#
#    26  ARG  HA     26  ARG  HB2       4.5   (#  1599:20  Unique)
 &rst
  ixpk= 1599, nxpk= 20, iat= 386, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    26  ARG  HG+    26  ARG  HB3       5.5   (#  1600:20  Unique)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    35  ALA  MB     31  PRO  HB+       4.5   (#  1602:20  Unique)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 522, 523, 524,
 igr2= 469, 470,
 &end
#
#    39  GLU  HA     39  GLU  HB+       3.5   (#  1603:20  Unique)
 &rst
  ixpk= 1603, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 567,
 &end
#
#     0  AMB  20-2:1605   0  AMB  20-1:1605     4.5   (#  1605:20  Double)
 &rst
  ixpk= 1605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 463, 464, 529, 530,
 igr2= 469, 470, 535, 536,
 &end
#
#     6  LEU  MDY    39  GLU  HB-       5.5   (#  1606:20  Unique)
 &rst
  ixpk= 1606, 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= 566, 567,
 &end
#
#     0  AMB  20-2:1607   0  AMB  20-1:1607     3.5   (#  1607:20  Double)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 463, 464, 529, 530,
 igr2= 469, 470, 535, 536,
 &end
#
#    27  VAL  MGY    64  MET  HB3       5.5   (#  1609:20  Unique)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    32  ARG  HB-    31  PRO  HB+       7.0   (#  1610:20  Unique)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 480, 481,
 igr2= 469, 470,
 &end
#
#    65  GLN  HN     64  MET  HB3       5.5   (#  1611:20  Unique)
 &rst
  ixpk= 1611, nxpk= 20, iat= 980, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    32  ARG  HD+    32  ARG  HB-       5.5   (#  1612:20  Unique)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 486, 487,
 igr2= 480, 481,
 &end
#
#    26  ARG  HA     26  ARG  HB3       5.5   (#  1614:20  Unique)
 &rst
  ixpk= 1614, nxpk= 20, iat= 386, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:1616   0  AMB  20-1:1616     2.8   (#  1616:20  Double)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 538, 472,
 igr2= 535, 536, 469, 470,
 &end
#
#    26  ARG  HG-    26  ARG  HB3       4.5   (#  1619:20  Unique)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#    10  PRO  HD-    10  PRO  HB-       4.5   (#  1620:20  Unique)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#     0  AMB  20-2:1621   0  AMB  20-1:1621     2.8   (#  1621:20  Double)
 &rst
  ixpk= 1621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 466, 467, 532, 533,  35,
 igr2= 469, 470, 535, 536, 469, 470,
 &end
#
#    10  PRO  HD+    10  PRO  HB-       4.5   (#  1622:20  Unique)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#    69  CYS  HB2    64  MET  HB2       4.5   (#  1624:20  Unique)
 &rst
  ixpk= 1624, nxpk= 20, iat=1047, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10  PRO  HD+    10  PRO  HB+       4.5   (#  1625:20  Unique)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 137, 138,
 igr2= 143, 144,
 &end
#
#     9  ILE  HB     10  PRO  HB-       5.5   (#  1626:20  Unique)
 &rst
  ixpk= 1626, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 143, 144,
 &end
#
#     0  AMB  20-2:1627   0  AMB  20-1:1627     2.8   (#  1627:20  Double)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 538, 472,
 igr2= 535, 536, 469, 470,
 &end
#
#     0  AMB  20-2:1628   0  AMB  20-1:1628     3.5   (#  1628:20  Double)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 564, 478,
 igr2= 566, 567, 480, 481,
 &end
#
#    37  ALA  HN      0  AMB  20-1:1629     5.5   (#  1629:20  Single)
 &rst
  ixpk= 1629, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 535, 536, 469, 470,
 &end
#
#    40  SER  HN     39  GLU  HB+       3.5   (#  1630:20  Unique)
 &rst
  ixpk= 1630, nxpk= 20, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 567,
 &end
#
#    25  ILE  QD1    60  VAL  HB        3.5   (#  1631:20  Unique)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 378, 379, 380,
 &end
#
#     9  ILE  HA     10  PRO  HB-       5.5   (#  1633:20  Unique)
 &rst
  ixpk= 1633, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 143, 144,
 &end
#
#    60  VAL  MGX    60  VAL  HB        2.8   (#  1634:20  Unique)
 &rst
  ixpk= 1634, 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  20-2:1635   0  AMB  20-1:1635     4.5   (#  1635:20  Double)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 463, 464, 529, 530,
 igr2= 469, 470, 535, 536,
 &end
#
#    60  VAL  MGY    60  VAL  HB        2.8   (#  1637:20  Unique)
 &rst
  ixpk= 1637, 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
#
#    69  CYS  HB2    64  MET  HB2       4.5   (#  1638:20  Unique)
 &rst
  ixpk= 1638, nxpk= 20, iat=1047, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    60  VAL  HN     60  VAL  HB        3.5   (#  1639:20  Unique)
 &rst
  ixpk= 1639, nxpk= 20, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HN     64  MET  HB3       5.5   (#  1640:20  Unique)
 &rst
  ixpk= 1640, nxpk= 20, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:1642  60  VAL  HB        3.5   (#  1642:20  Single)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 919, 864,
 &end
#
#    26  ARG  HG+    26  ARG  HB3       5.5   (#  1643:20  Unique)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    64  MET  HA     64  MET  HB3       4.5   (#  1644:20  Unique)
 &rst
  ixpk= 1644, nxpk= 20, iat= 965, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10  PRO  HA     10  PRO  HB+       3.5   (#  1645:20  Unique)
 &rst
  ixpk= 1645, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 143, 144,
 &end
#
#    32  ARG  HA     32  ARG  HB-       5.5   (#  1646:20  Unique)
 &rst
  ixpk= 1646, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 480, 481,
 &end
#
#    64  MET  HN     64  MET  HB3       5.5   (#  1647:20  Unique)
 &rst
  ixpk= 1647, nxpk= 20, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10  PRO  HA     10  PRO  HB-       2.8   (#  1648:20  Unique)
 &rst
  ixpk= 1648, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 143, 144,
 &end
#
#     0  AMB  20-2:1652  64  MET  HB2       4.5   (#  1652:20  Single)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 970, 971, 987, 988,
 &end
#
#    64  MET  HN     64  MET  HB2       4.5   (#  1653:20  Unique)
 &rst
  ixpk= 1653, nxpk= 20, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    61  SER  HN     60  VAL  HB        3.5   (#  1654:20  Unique)
 &rst
  ixpk= 1654, nxpk= 20, iat= 933, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    72  GLU  HB+    26  ARG  HB3       2.8   (#  1655:20  Unique)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1081,1082,
 &end
#
#     0  AMB  20-2:1656  64  MET  HB2       4.5   (#  1656:20  Single)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 982,
 &end
#
#    69  CYS  HB3    64  MET  HB3       4.5   (#  1658:20  Unique)
 &rst
  ixpk= 1658, nxpk= 20, iat=1048, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    61  SER  HA     64  MET  HB2       5.5   (#  1660:20  Unique)
 &rst
  ixpk= 1660, nxpk= 20, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    42  GLU  HG+    26  ARG  HB3       5.5   (#  1661:20  Unique)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 617, 618,
 &end
#
#    64  MET  HG-    64  MET  HB3       3.5   (#  1662:20  Unique)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#    64  MET  HG+    64  MET  HB3       4.5   (#  1665:20  Unique)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 970, 971,
 &end
#
#    69  CYS  HB2    64  MET  HB3       4.5   (#  1667:20  Unique)
 &rst
  ixpk= 1667, nxpk= 20, iat=1047, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    64  MET  HN     64  MET  HB2       4.5   (#  1668:20  Unique)
 &rst
  ixpk= 1668, nxpk= 20, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    65  GLN  HN     64  MET  HB2       5.5   (#  1669:20  Unique)
 &rst
  ixpk= 1669, nxpk= 20, iat= 980, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:1670   0  AMB  20-1:1670     5.5   (#  1670:20  Double)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1010,1011,1663,1664,
 igr2=1001,1002,1791,
 &end
#
#    66  LYS  HA     66  LYS  HB+       2.8   (#  1671:20  Unique)
 &rst
  ixpk= 1671, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1001,1002,
 &end
#
#    61  SER  HA     64  MET  HB2       5.5   (#  1672:20  Unique)
 &rst
  ixpk= 1672, nxpk= 20, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    63  ASP  HA     66  LYS  HB+       3.5   (#  1673:20  Unique)
 &rst
  ixpk= 1673, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1001,1002,
 &end
#
#    67  GLN  HN     66  LYS  HB+       3.5   (#  1674:20  Unique)
 &rst
  ixpk= 1674, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1001,1002,
 &end
#
#    66  LYS  HN     66  LYS  HB+       2.8   (#  1675:20  Unique)
 &rst
  ixpk= 1675, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1001,1002,
 &end
#
#     0  AMB  20-2:1676   0  AMB  20-1:1676     2.8   (#  1676:20  Double)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1004,1005,1007,1008,
 igr2=1001,1002,1001,1002,
 &end
#
#     0  AMB  20-2:1677   0  AMB  20-1:1677     5.5   (#  1677:20  Double)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1010,1011,1663,1664,
 igr2=1001,1002,1791,
 &end
#
#     0  AMB  20-2:1678   0  AMB  20-1:1678     3.5   (#  1678:20  Double)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1660,1661,1657,1658,
 igr2=1654,1655,1654,1655,
 &end
#
#     0  AMB  20-2:1679   0  AMB  20-1:1679     2.8   (#  1679:20  Double)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1657,1658,1004,1005,
 igr2=1791,1001,1002,
 &end
#
#     0  AMB  20-2:1680 110  LYS  HB-       5.5   (#  1680:20  Single)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1779,1780,1598,1599,
 igr2=1654,1655,
 &end
#
#   118  VAL  HN    118  VAL  HB        4.5   (#  1681:20  Unique)
 &rst
  ixpk= 1681, nxpk= 20, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    65  GLN  HG+    71  CYS  HB2       5.5   (#  1682:20  Unique)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987, 988,
 &end
#
#   118  VAL  HA    118  VAL  HB        4.5   (#  1685:20  Unique)
 &rst
  ixpk= 1685, nxpk= 20, iat=1789,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1686 118  VAL  HB        2.8   (#  1686:20  Single)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,1791, 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
#
#    12  VAL  MGY   112  LYS  HB-       4.5   (#  1687:20  Unique)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1686,1687,
 &end
#
#   118  VAL  HN    118  VAL  HB        4.5   (#  1689:20  Unique)
 &rst
  ixpk= 1689, nxpk= 20, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1690 110  LYS  HB-       2.8   (#  1690:20  Single)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1660,1661,1657,1658,
 igr2=1654,1655,
 &end
#
#   111  ALA  HN    110  LYS  HB+       4.5   (#  1691:20  Unique)
 &rst
  ixpk= 1691, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#    12  VAL  MGY   112  LYS  HB+       5.5   (#  1692:20  Unique)
 &rst
  ixpk= 1692, 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=1686,1687,
 &end
#
#   110  LYS  HG-   110  LYS  HB-       3.5   (#  1693:20  Unique)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1654,1655,
 &end
#
#    72  GLU  HN     71  CYS  HB3       4.5   (#  1697:20  Unique)
 &rst
  ixpk= 1697, nxpk= 20, iat=1077,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HA    110  LYS  HB-       3.5   (#  1698:20  Unique)
 &rst
  ixpk= 1698, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#    72  GLU  HN     71  CYS  HB2       4.5   (#  1699:20  Unique)
 &rst
  ixpk= 1699, nxpk= 20, iat=1077,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HN    110  LYS  HB+       3.5   (#  1700:20  Unique)
 &rst
  ixpk= 1700, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#   112  LYS  HA    112  LYS  HB+       3.5   (#  1702:20  Unique)
 &rst
  ixpk= 1702, nxpk= 20, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#   112  LYS  HA    112  LYS  HB-       3.5   (#  1704:20  Unique)
 &rst
  ixpk= 1704, nxpk= 20, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#    61  SER  HB+    71  CYS  HB2       5.5   (#  1705:20  Unique)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#    57  TYR  HE     71  CYS  HB2       4.5   (#  1706:20  Unique)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 872, 877,
 &end
#
#   110  LYS  HN    110  LYS  HB-       3.5   (#  1707:20  Unique)
 &rst
  ixpk= 1707, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#    57  TYR  HE     71  CYS  HB3       4.5   (#  1708:20  Unique)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 872, 877,
 &end
#
#    71  CYS  HN     71  CYS  HB3       4.5   (#  1709:20  Unique)
 &rst
  ixpk= 1709, nxpk= 20, iat=1066,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    71  CYS  HA     71  CYS  HB3       3.5   (#  1710:20  Unique)
 &rst
  ixpk= 1710, nxpk= 20, iat=1068,1071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   111  ALA  HN    110  LYS  HB-       4.5   (#  1711:20  Unique)
 &rst
  ixpk= 1711, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#     0  AMB  20-2:1714  71  CYS  HB2       3.5   (#  1714:20  Single)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420,
 &end
#
#   107  GLU  HA    110  LYS  HB-       3.5   (#  1715:20  Unique)
 &rst
  ixpk= 1715, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#    71  CYS  HA     71  CYS  HB2       3.5   (#  1716:20  Unique)
 &rst
  ixpk= 1716, nxpk= 20, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    25  ILE  QG2    71  CYS  HB3       2.8   (#  1717:20  Unique)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 371, 372, 373,
 &end
#
#    61  SER  HB+    71  CYS  HB3       5.5   (#  1719:20  Unique)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   113  TYR  HN    112  LYS  HB+       5.5   (#  1722:20  Unique)
 &rst
  ixpk= 1722, nxpk= 20, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1686,1687,
 &end
#
#    71  CYS  HN     71  CYS  HB2       3.5   (#  1723:20  Unique)
 &rst
  ixpk= 1723, nxpk= 20, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   112  LYS  HN    112  LYS  HB-       3.5   (#  1724:20  Unique)
 &rst
  ixpk= 1724, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#    61  SER  HB-    71  CYS  HB3       5.5   (#  1725:20  Unique)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   118  VAL  MGY   110  LYS  HB-       4.5   (#  1726:20  Unique)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1654,1655,
 &end
#
#   112  LYS  HN    112  LYS  HB+       3.5   (#  1727:20  Unique)
 &rst
  ixpk= 1727, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#   106  THR  MG2   120  TRP  HB+       4.5   (#  1728:20  Unique)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1586,1587,1588,
 igr2=1821,1822,
 &end
#
#   112  LYS  HG+   112  LYS  HB-       2.8   (#  1729:20  Unique)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1689,1690,
 igr2=1686,1687,
 &end
#
#    64  MET  HB2    71  CYS  HB2       4.5   (#  1731:20  Unique)
 &rst
  ixpk= 1731, nxpk= 20, iat= 967,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:1732 112  LYS  HB-       4.5   (#  1732:20  Single)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 166,1641,1642,
 igr2=1686,1687,
 &end
#
#   112  LYS  HG+   112  LYS  HB+       2.8   (#  1733:20  Unique)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1689,1690,
 igr2=1686,1687,
 &end
#
#    61  SER  HB-    71  CYS  HB2       5.5   (#  1734:20  Unique)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#    90  VAL  HB    120  TRP  HB-       5.5   (#  1735:20  Unique)
 &rst
  ixpk= 1735, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#   112  LYS  HD+   112  LYS  HB-       4.5   (#  1736:20  Unique)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1692,1693,
 igr2=1686,1687,
 &end
#
#    90  VAL  MGX   120  TRP  HB+       5.5   (#  1738:20  Unique)
 &rst
  ixpk= 1738, 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=1821,1822,
 &end
#
#     0  AMB  20-2:1740   0  AMB  20-1:1740     5.5   (#  1740:20  Double)
 &rst
  ixpk= 1740, 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
#
#     0  AMB  20-2:1741  71  CYS  HB3       4.5   (#  1741:20  Single)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 967,1084,1085,
 &end
#
#   120  TRP  HD1     0  AMB  20-1:1742     4.5   (#  1742:20  Single)
 &rst
  ixpk= 1742, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1821,1822,1821,1822,
 &end
#
#   102  HIS  HB2   120  TRP  HB-       4.5   (#  1744:20  Unique)
 &rst
  ixpk= 1744, nxpk= 20, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1821,1822,
 &end
#
#     0  AMB  20-2:1745 112  LYS  HB-       5.5   (#  1745:20  Single)
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 166,1641,1642,
 igr2=1686,1687,
 &end
#
#     0  AMB  20-2:1746   0  AMB  20-1:1746     5.5   (#  1746:20  Double)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1584,1525,
 igr2=1821,1822,1821,1822,1821,1822,
 &end
#
#   106  THR  MG2   120  TRP  HB-       4.5   (#  1747:20  Unique)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1586,1587,1588,
 igr2=1821,1822,
 &end
#
#   120  TRP  HA    120  TRP  HB-       3.5   (#  1748:20  Unique)
 &rst
  ixpk= 1748, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#   121  ALA  HN    120  TRP  HB-       5.5   (#  1749:20  Unique)
 &rst
  ixpk= 1749, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#   120  TRP  HA    120  TRP  HB+       3.5   (#  1750:20  Unique)
 &rst
  ixpk= 1750, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#    90  VAL  HN    120  TRP  HB+       5.5   (#  1751:20  Unique)
 &rst
  ixpk= 1751, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#    95  MET  HB-    95  MET  HG+       4.5   (#  1753:20  Unique)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#     0  AMB  20-2:1756   0  AMB  20-1:1756     4.5   (#  1756:20  Double)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1344,1834,1832,
 igr2=1821,1822,1821,1822,1821,1822,
 &end
#
#    90  VAL  HB      0  AMB  20-1:1758     4.5   (#  1758:20  Single)
 &rst
  ixpk= 1758, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1821,1822,1821,1822,
 &end
#
#    90  VAL  MGX   120  TRP  HB+       5.5   (#  1759:20  Unique)
 &rst
  ixpk= 1759, 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=1821,1822,
 &end
#
#   102  HIS  HB3   120  TRP  HB-       3.5   (#  1760:20  Unique)
 &rst
  ixpk= 1760, nxpk= 20, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#    90  VAL  MGY   120  TRP  HB+       5.5   (#  1761:20  Unique)
 &rst
  ixpk= 1761, 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=1821,1822,
 &end
#
#   121  ALA  HN    120  TRP  HB+       4.5   (#  1762:20  Unique)
 &rst
  ixpk= 1762, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1821,1822,
 &end
#
#    90  VAL  HB    120  TRP  HB+       4.5   (#  1765:20  Unique)
 &rst
  ixpk= 1765, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1821,1822,
 &end
#
#    60  VAL  MGY    59  LYS  HB+       5.5   (#  1768:20  Unique)
 &rst
  ixpk= 1768, 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= 899, 900,
 &end
#
#   106  THR  MG2     0  AMB  20-1:1770     4.5   (#  1770:20  Single)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1586,1587,1588,
 igr2=1821,1822,1821,1822,
 &end
#
#    97  TYR  HD     95  MET  HG-       5.5   (#  1771:20  Unique)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2=1434,1435,
 &end
#
#     3  VAL  HA      3  VAL  HB        3.5   (#  1772:20  Unique)
 &rst
  ixpk= 1772, nxpk= 20, iat=  33,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1773   0  AMB  20-1:1773     3.5   (#  1773:20  Double)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1527,1058,1059,
 igr2=1821,1822, 429,
 &end
#
#    49  TRP  HZ2    59  LYS  HB+       5.5   (#  1775:20  Unique)
 &rst
  ixpk= 1775, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#    59  LYS  HD+    59  LYS  HB+       3.5   (#  1776:20  Unique)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 905, 906,
 igr2= 899, 900,
 &end
#
#    95  MET  HB-    95  MET  HG-       4.5   (#  1778:20  Unique)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#    95  MET  HB+    95  MET  HG-       3.5   (#  1781:20  Unique)
 &rst
  ixpk= 1781, 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  20-2:1783   3  VAL  HB        2.8   (#  1783:20  Single)
 &rst
  ixpk= 1783, 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
#
#    95  MET  HA     95  MET  HG+       4.5   (#  1784:20  Unique)
 &rst
  ixpk= 1784, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1434,1435,
 &end
#
#     3  VAL  HN      3  VAL  HB        3.5   (#  1787:20  Unique)
 &rst
  ixpk= 1787, nxpk= 20, iat=  31,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    70  ASP  HB+    28  HIS  HB2       4.5   (#  1788:20  Unique)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1058,1059,
 &end
#
#     0  AMB  20-2:1789  90  VAL  HB        3.5   (#  1789:20  Single)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1821,1822,1821,1822,
 &end
#
#    29  SER  HN     28  HIS  HB3       5.5   (#  1790:20  Unique)
 &rst
  ixpk= 1790, nxpk= 20, iat= 441, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    95  MET  HA     95  MET  HG-       5.5   (#  1791:20  Unique)
 &rst
  ixpk= 1791, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1434,1435,
 &end
#
#     0  AMB  20-2:1792  90  VAL  HB        4.5   (#  1792:20  Single)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1821,1822,1821,1822,
 &end
#
#    28  HIS  HN     28  HIS  HB3       4.5   (#  1793:20  Unique)
 &rst
  ixpk= 1793, nxpk= 20, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    28  HIS  HN     28  HIS  HB2       4.5   (#  1794:20  Unique)
 &rst
  ixpk= 1794, nxpk= 20, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    56  ILE  HA     59  LYS  HB+       4.5   (#  1795:20  Unique)
 &rst
  ixpk= 1795, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#    95  MET  HB+    95  MET  HG+       3.5   (#  1796:20  Unique)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#     4  ALA  HN      3  VAL  HB        4.5   (#  1799:20  Unique)
 &rst
  ixpk= 1799, nxpk= 20, iat=  47,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  MGY    90  VAL  HB        3.5   (#  1802:20  Unique)
 &rst
  ixpk= 1802, 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
#
#    59  LYS  HA     59  LYS  HB+       2.8   (#  1803:20  Unique)
 &rst
  ixpk= 1803, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#    59  LYS  HN     59  LYS  HB+       2.8   (#  1805:20  Unique)
 &rst
  ixpk= 1805, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#    97  TYR  HD     95  MET  HG+       5.5   (#  1806:20  Unique)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2=1434,1435,
 &end
#
#     1  MET  HA      1  MET  HB+       4.5   (#  1807:20  Unique)
 &rst
  ixpk= 1807, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#    28  HIS  HA     28  HIS  HB2       3.5   (#  1808:20  Unique)
 &rst
  ixpk= 1808, nxpk= 20, iat= 426, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  MGX    90  VAL  HB        3.5   (#  1809:20  Unique)
 &rst
  ixpk= 1809, 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
#
#    70  ASP  HB-    28  HIS  HB3       5.5   (#  1810:20  Unique)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
#    59  LYS  HG+    59  LYS  HB+       2.8   (#  1811:20  Unique)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#     0  AMB  20-2:1812  28  HIS  HB3       5.5   (#  1812:20  Single)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#     1  MET  HA      1  MET  HB-       4.5   (#  1813:20  Unique)
 &rst
  ixpk= 1813, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#    60  VAL  HN     59  LYS  HB+       3.5   (#  1814:20  Unique)
 &rst
  ixpk= 1814, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#    64  MET  HB2    64  MET  HG+       3.5   (#  1815:20  Unique)
 &rst
  ixpk= 1815, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#     0  AMB  20-2:1816   0  AMB  20-1:1816     5.5   (#  1816:20  Double)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1047,1026,1027,
 igr2= 970, 971, 970, 971,
 &end
#
#     0  AMB  20-2:1817  28  HIS  HB2       5.5   (#  1817:20  Single)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#    60  VAL  MGY    59  LYS  HB+       5.5   (#  1818:20  Unique)
 &rst
  ixpk= 1818, 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= 899, 900,
 &end
#
#    64  MET  HN     64  MET  HG-       4.5   (#  1820:20  Unique)
 &rst
  ixpk= 1820, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#    28  HIS  HA     28  HIS  HB3       3.5   (#  1821:20  Unique)
 &rst
  ixpk= 1821, nxpk= 20, iat= 426, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    89  HIS  HA     90  VAL  HB        5.5   (#  1822:20  Unique)
 &rst
  ixpk= 1822, nxpk= 20, iat=1336,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    90  VAL  HN     90  VAL  HB        3.5   (#  1823:20  Unique)
 &rst
  ixpk= 1823, nxpk= 20, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1824   0  AMB  20-1:1824     3.5   (#  1824:20  Double)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929, 414, 415, 416, 418,
       419, 420, 371, 372, 373,
 igr2= 970, 971, 970, 971, 970, 971,
 &end
#
#    70  ASP  HB-    28  HIS  HB2       5.5   (#  1825:20  Unique)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
#    64  MET  HB3    64  MET  HG+       4.5   (#  1826:20  Unique)
 &rst
  ixpk= 1826, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#    64  MET  HN     64  MET  HG+       3.5   (#  1827:20  Unique)
 &rst
  ixpk= 1827, 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-       3.5   (#  1828:20  Unique)
 &rst
  ixpk= 1828, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#   120  TRP  HA     90  VAL  HB        5.5   (#  1829:20  Unique)
 &rst
  ixpk= 1829, nxpk= 20, iat=1819,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:1831  64  MET  HG-       3.5   (#  1831:20  Single)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 924, 925, 927, 928, 929, 414, 415, 416, 418,
       419, 420, 371, 372, 373,
 igr2= 970, 971,
 &end
#
#     0  AMB  20-2:1832   0  AMB  20-1:1832     5.5   (#  1832:20  Double)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 899, 900, 899, 900,
 &end
#
#    64  MET  HB2    64  MET  HG-       3.5   (#  1834:20  Unique)
 &rst
  ixpk= 1834, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#     0  AMB  20-2:1836   0  AMB  20-1:1836     5.5   (#  1836:20  Double)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 130, 131, 132, 378, 379, 380, 631, 632, 633,
 igr2= 970, 971, 970, 971, 970, 971,
 &end
#
#     0  AMB  20-2:1837   0  AMB  20-1:1837     5.5   (#  1837:20  Double)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 899, 900, 899, 900,
 &end
#
#    64  MET  ME     64  MET  HG+       4.5   (#  1839:20  Unique)
 &rst
  ixpk= 1839, 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+       4.5   (#  1840:20  Unique)
 &rst
  ixpk= 1840, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#    64  MET  HA     64  MET  HG-       5.5   (#  1841:20  Unique)
 &rst
  ixpk= 1841, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#    78  ARG  HG+    78  ARG  HB-       5.5   (#  1850:20  Unique)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#     0  AMB  20-2:1857  21  LYS  HB3       5.5   (#  1857:20  Single)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 856, 857, 858,1147,1148,
 &end
#
#   104  ILE  HN    101  GLN  HG+       5.5   (#  1858:20  Unique)
 &rst
  ixpk= 1858, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#    21  LYS  HN     21  LYS  HB2       5.5   (#  1860:20  Unique)
 &rst
  ixpk= 1860, nxpk= 20, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:1861  21  LYS  HB3       4.5   (#  1861:20  Single)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1147,1148, 853, 854,
 &end
#
#    19  VAL  HN     19  VAL  HB        3.5   (#  1863:20  Unique)
 &rst
  ixpk= 1863, nxpk= 20, iat= 251, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1864  21  LYS  HB3       5.5   (#  1864:20  Single)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 856, 857, 858,1147,1148,
 &end
#
#    20  PHE  HN     19  VAL  HB        5.5   (#  1865:20  Unique)
 &rst
  ixpk= 1865, nxpk= 20, iat= 267, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    19  VAL  HA     19  VAL  HB        4.5   (#  1867:20  Unique)
 &rst
  ixpk= 1867, nxpk= 20, iat= 253, 255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    19  VAL  MG2    19  VAL  HB        2.8   (#  1869:20  Unique)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 261, 262, 263,
 &end
#
#    78  ARG  HB-    21  LYS  HB3       4.5   (#  1871:20  Unique)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#     0  AMB  20-2:1872   0  AMB  20-1:1872     2.8   (#  1872:20  Double)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 257, 258, 259,1112,1113,1114,1116,1117,1118,
 igr2= 255,1081,1082,
 &end
#
#   101  GLN  HE2-  101  GLN  HG-       5.5   (#  1873:20  Unique)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#    21  LYS  HN     21  LYS  HB2       5.5   (#  1879:20  Unique)
 &rst
  ixpk= 1879, nxpk= 20, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   104  ILE  HN    101  GLN  HG-       5.5   (#  1880:20  Unique)
 &rst
  ixpk= 1880, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#   101  GLN  HE2+  101  GLN  HG+       5.5   (#  1882:20  Unique)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#   104  ILE  HN    101  GLN  HG+       5.5   (#  1883:20  Unique)
 &rst
  ixpk= 1883, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#   101  GLN  HB-   101  GLN  HG-       3.5   (#  1885:20  Unique)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#   101  GLN  HB+   101  GLN  HG-       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=1510,1511,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:1888 101  GLN  HG-       5.5   (#  1888:20  Single)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1560,1561, 350, 351,
 igr2=1513,1514,
 &end
#
#   104  ILE  HG1-  101  GLN  HG-       4.5   (#  1889:20  Unique)
 &rst
  ixpk= 1889, 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  HA    101  GLN  HG+       3.5   (#  1890:20  Unique)
 &rst
  ixpk= 1890, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#   101  GLN  HN    101  GLN  HG-       4.5   (#  1891:20  Unique)
 &rst
  ixpk= 1891, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:1893 101  GLN  HG-       3.5   (#  1893:20  Single)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1513,1514,
 &end
#
#   103  ALA  MB    101  GLN  HG+       5.5   (#  1894:20  Unique)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1513,1514,
 &end
#
#   104  ILE  HG1-  101  GLN  HG+       4.5   (#  1895:20  Unique)
 &rst
  ixpk= 1895, 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  HA    101  GLN  HG-       3.5   (#  1896:20  Unique)
 &rst
  ixpk= 1896, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#   101  GLN  HB+   101  GLN  HG+       2.8   (#  1898:20  Unique)
 &rst
  ixpk= 1898, 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   (#  1900:20  Unique)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#   103  ALA  MB    101  GLN  HG-       4.5   (#  1902:20  Unique)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1544,1545,1546,
 igr2=1513,1514,
 &end
#
#   101  GLN  HN    101  GLN  HG+       3.5   (#  1903:20  Unique)
 &rst
  ixpk= 1903, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#   103  ALA  MB    101  GLN  HG+       5.5   (#  1904:20  Unique)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1513,1514,
 &end
#
#     0  AMB  20-2:1905   0  AMB  20-1:1905     4.5   (#  1905:20  Double)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1513,1514,1513,1514,
 &end
#
#    82  GLN  HG+    82  GLN  HA         3.5   (#  1906:20)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1221,1222,
 &end
#
#     0  AMB  20-2:1907   0  AMB  20-1:1907     5.5   (#  1907:20  Double)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1560,1561, 350, 351,
 igr2=1513,1514,1513,1514,
 &end
#
#    26  ARG  HB3    72  GLU  HB+       5.5   (#  1908:20  Unique)
 &rst
  ixpk= 1908, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#    74  LEU  MDY    72  GLU  HB+       4.5   (#  1909:20  Unique)
 &rst
  ixpk= 1909, 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  20-2:1912   0  AMB  20-1:1912     2.8   (#  1912:20  Double)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1218,1219,1218,1219,1023,
 igr2=1221,1222,1221,1222,1026,1027,
 &end
#
#     0  AMB  20-2:1914  72  GLU  HB-       2.8   (#  1914:20  Single)
 &rst
  ixpk= 1914, 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  HA     72  GLU  HB-       3.5   (#  1915:20  Unique)
 &rst
  ixpk= 1915, 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   (#  1916:20  Unique)
 &rst
  ixpk= 1916, 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   (#  1918:20  Unique)
 &rst
  ixpk= 1918, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#     0  AMB  20-2:1920   0  AMB  20-1:1920     2.8   (#  1920:20  Double)
 &rst
  ixpk= 1920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1084,1085,1084,1085,
 igr2=1081,1082,1081,1082,
 &end
#
#    82  GLN  HN     82  GLN  HG+       5.5   (#  1921:20  Unique)
 &rst
  ixpk= 1921, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1221,1222,
 &end
#
#    72  GLU  HN     72  GLU  HB+       4.5   (#  1922:20  Unique)
 &rst
  ixpk= 1922, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1081,1082,
 &end
#
#    72  GLU  HA     72  GLU  HB+       3.5   (#  1924:20  Unique)
 &rst
  ixpk= 1924, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1081,1082,
 &end
#
#    41  LYS  HN     27  VAL  HB        5.5   (#  1925:20  Unique)
 &rst
  ixpk= 1925, nxpk= 20, iat= 588, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    82  GLN  HE2+   82  GLN  HG+       5.5   (#  1926:20  Unique)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2=1221,1222,
 &end
#
#    67  GLN  HE2-   67  GLN  HG+       3.5   (#  1927:20  Unique)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#     0  AMB  20-2:1928   0  AMB  20-1:1928     5.5   (#  1928:20  Double)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 130, 131, 132, 123, 124, 125,
 igr2=1026,1027,1026,1027,
 &end
#
#    66  LYS  HN     67  GLN  HG+       5.5   (#  1929:20  Unique)
 &rst
  ixpk= 1929, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#    67  GLN  HA     67  GLN  HG+       2.8   (#  1930:20  Unique)
 &rst
  ixpk= 1930, nxpk= 20, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1026,1027,
 &end
#
#    67  GLN  HN     67  GLN  HG+       2.8   (#  1931:20  Unique)
 &rst
  ixpk= 1931, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1026,1027,
 &end
#
#     0  AMB  20-2:1932   0  AMB  20-1:1932     4.5   (#  1932:20  Double)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  51,  52,  53,  25,  26,  27,
 igr2=1026,1027,1026,1027,
 &end
#
#    67  GLN  HG+    68  GLY  HA+        5.5   (#  1933:20)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,
 igr2=1038,1039,
 &end
#
#    82  GLN  HE2-   82  GLN  HG+       4.5   (#  1935:20  Unique)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1226,1227,
 igr2=1221,1222,
 &end
#
#    67  GLN  HG+    64  MET  HA         3.5   (#  1936:20)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#     0  AMB  20-2:1937   0  AMB  20-1:1937     5.5   (#  1937:20  Double)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 391, 392, 371, 372, 373,
 igr2=1081,1082,1081,1082,
 &end
#
#    63  ASP  HA     67  GLN  HG+       5.5   (#  1939:20  Unique)
 &rst
  ixpk= 1939, nxpk= 20, iat= 953,  -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   (#  1940:20  Unique)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#    68  GLY  HN     67  GLN  HG+       4.5   (#  1941:20  Unique)
 &rst
  ixpk= 1941, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#    26  ARG  HN     72  GLU  HB+       5.5   (#  1947:20  Unique)
 &rst
  ixpk= 1947, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#     0  AMB  20-2:1949  27  VAL  HB        4.5   (#  1949:20  Single)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 424,1077,
 &end
#
#     0  AMB  20-2:1950  27  VAL  HB        5.5   (#  1950:20  Single)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596, 635, 636,
 &end
#
#     6  LEU  MDY    27  VAL  HB        4.5   (#  1951:20  Unique)
 &rst
  ixpk= 1951, 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
#
#     0  AMB  20-2:1952  27  VAL  HB        4.5   (#  1952:20  Single)
 &rst
  ixpk= 1952, 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
#
#    27  VAL  HN     27  VAL  HB        3.5   (#  1953:20  Unique)
 &rst
  ixpk= 1953, nxpk= 20, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:1954  27  VAL  HB        2.8   (#  1954:20  Single)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
 &end
#
#    65  GLN  HB3    65  GLN  HG-       2.8   (#  1955:20  Unique)
 &rst
  ixpk= 1955, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 987, 988,
 &end
#
#     0  AMB  20-2:1956  27  VAL  HB        5.5   (#  1956:20  Single)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 426,
 &end
#
#    27  VAL  HA     27  VAL  HB        3.5   (#  1958:20  Unique)
 &rst
  ixpk= 1958, nxpk= 20, iat= 410, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    65  GLN  HE2+   65  GLN  HG+       5.5   (#  1960:20  Unique)
 &rst
  ixpk= 1960, 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  HN     65  GLN  HG-       3.5   (#  1962:20  Unique)
 &rst
  ixpk= 1962, 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   (#  1964:20  Unique)
 &rst
  ixpk= 1964, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#    65  GLN  HA     65  GLN  HG+       3.5   (#  1966:20  Unique)
 &rst
  ixpk= 1966, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#    65  GLN  HB3    65  GLN  HG+       2.8   (#  1967:20  Unique)
 &rst
  ixpk= 1967, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 987, 988,
 &end
#
#    71  CYS  HB3    65  GLN  HG+       5.5   (#  1968:20  Unique)
 &rst
  ixpk= 1968, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 987, 988,
 &end
#
#    65  GLN  HA     65  GLN  HG-       3.5   (#  1971:20  Unique)
 &rst
  ixpk= 1971, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#     0  AMB  20-2:1972  27  VAL  HB        5.5   (#  1972:20  Single)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 598, 599, 968,
 &end
#
#    65  GLN  HE2+   65  GLN  HG-       5.5   (#  1973:20  Unique)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#     0  AMB  20-2:1974  65  GLN  HG-       5.5   (#  1974:20  Single)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1048,1071,
 igr2= 987, 988,
 &end
#
#    80  SER  HB-    89  HIS  HB+       5.5   (#  1977:20  Unique)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#    89  HIS  HA     89  HIS  HB+       4.5   (#  1979:20  Unique)
 &rst
  ixpk= 1979, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1338,1339,
 &end
#
#    89  HIS  HA     89  HIS  HB-       3.5   (#  1981:20  Unique)
 &rst
  ixpk= 1981, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1338,1339,
 &end
#
#     0  AMB  20-2:1983  45  ARG  HB2       3.5   (#  1983:20  Single)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1, 664, 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
#
#    45  ARG  HD-    45  ARG  HB3       5.5   (#  1985:20  Unique)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    80  SER  HB+    89  HIS  HB+       5.5   (#  1987:20  Unique)
 &rst
  ixpk= 1987, 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+       4.5   (#  1990:20  Unique)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#    45  ARG  HG+    45  ARG  HB2       4.5   (#  1991:20  Unique)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#    80  SER  HB+    89  HIS  HB-       5.5   (#  1992:20  Unique)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#    60  VAL  MGY    45  ARG  HB3       5.5   (#  1993:20  Unique)
 &rst
  ixpk= 1993, 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
#
#    45  ARG  HA     45  ARG  HB2       5.5   (#  1994:20  Unique)
 &rst
  ixpk= 1994, nxpk= 20, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    80  SER  HB+    89  HIS  HB-       5.5   (#  1995:20  Unique)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#     0  AMB  20-2:1996  45  ARG  HB3       3.5   (#  1996:20  Single)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929, 336,
       337, 338, 340, 341, 342,
 &end
#
#    47  TYR  HE     45  ARG  HB3       5.5   (#  1997:20  Unique)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 701, 706,
 &end
#
#    60  VAL  MGY    45  ARG  HB2       5.5   (#  2000:20  Unique)
 &rst
  ixpk= 2000, 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
#
#    89  HIS  HA     89  HIS  HB+       4.5   (#  2001:20  Unique)
 &rst
  ixpk= 2001, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1338,1339,
 &end
#
#    45  ARG  HN     45  ARG  HB2       4.5   (#  2002:20  Unique)
 &rst
  ixpk= 2002, nxpk= 20, iat= 660, 664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    45  ARG  HA     45  ARG  HB3       5.5   (#  2003:20  Unique)
 &rst
  ixpk= 2003, nxpk= 20, iat= 662, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HG+    45  ARG  HB3       4.5   (#  2004:20  Unique)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#    12  VAL  HA     44  VAL  HB        3.5   (#  2005:20  Unique)
 &rst
  ixpk= 2005, nxpk= 20, iat= 164, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    13  ASP  HN     44  VAL  HB        5.5   (#  2006:20  Unique)
 &rst
  ixpk= 2006, nxpk= 20, iat= 178, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  HA     44  VAL  HB        4.5   (#  2007:20  Unique)
 &rst
  ixpk= 2007, nxpk= 20, iat= 627, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    44  VAL  MGY    44  VAL  HB        2.8   (#  2008:20  Unique)
 &rst
  ixpk= 2008, 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
#
#     0  AMB  20-2:2009  44  VAL  HB        2.8   (#  2009:20  Single)
 &rst
  ixpk= 2009, 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
#
#    44  VAL  HA     44  VAL  HB        5.5   (#  2010:20  Unique)
 &rst
  ixpk= 2010, nxpk= 20, iat= 646, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    44  VAL  HN     44  VAL  HB        3.5   (#  2011:20  Unique)
 &rst
  ixpk= 2011, nxpk= 20, iat= 644, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    12  VAL  MGY    44  VAL  HB        4.5   (#  2012:20  Unique)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#    25  ILE  HG1+   23  VAL  HB        4.5   (#  2013:20  Unique)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 375, 376,
 &end
#
#    56  ILE  HG1+   23  VAL  HB        5.5   (#  2014:20  Unique)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#    23  VAL  HA     23  VAL  HB        3.5   (#  2016:20  Unique)
 &rst
  ixpk= 2016, nxpk= 20, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    24  LEU  HN     23  VAL  HB        3.5   (#  2017:20  Unique)
 &rst
  ixpk= 2017, nxpk= 20, iat= 346, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:2018  23  VAL  HB        2.8   (#  2018:20  Single)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1, 334, 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
#
#    41  LYS  HG+    41  LYS  HB+       4.5   (#  2019:20  Unique)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 592, 593,
 &end
#
#    41  LYS  HG+    41  LYS  HB-       4.5   (#  2020:20  Unique)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 592, 593,
 &end
#
#    41  LYS  HA     41  LYS  HB-       3.5   (#  2021:20  Unique)
 &rst
  ixpk= 2021, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#    41  LYS  HD+    41  LYS  HB+       3.5   (#  2023:20  Unique)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599,
 igr2= 592, 593,
 &end
#
#    42  GLU  HN     41  LYS  HB-       3.5   (#  2024:20  Unique)
 &rst
  ixpk= 2024, nxpk= 20, iat= 610,  -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   (#  2025:20  Unique)
 &rst
  ixpk= 2025, 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+       3.5   (#  2026:20  Unique)
 &rst
  ixpk= 2026, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#    41  LYS  HD-    41  LYS  HB-       3.5   (#  2027:20  Unique)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599,
 igr2= 592, 593,
 &end
#
#   112  LYS  HD+    12  VAL  HB        4.5   (#  2028:20  Unique)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1692,1693,
 &end
#
#    41  LYS  HD-    41  LYS  HB+       4.5   (#  2029:20  Unique)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 592, 593,
 &end
#
#     0  AMB  20-2:2030   0  AMB  20-1:2030     3.5   (#  2030:20  Double)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 598, 599,1692,1693,
 igr2= 592, 593, 166,
 &end
#
#     0  AMB  20-2:2031   0  AMB  20-1:2031     2.8   (#  2031:20  Double)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1689,1690,  78,  79,  80,  82,  83,  84, 168, 169,
       170, 172, 173, 174,
 igr2= 166, 592, 593,
 &end
#
#    12  VAL  HA     12  VAL  HB        4.5   (#  2032:20  Unique)
 &rst
  ixpk= 2032, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2034   0  AMB  20-1:2034     2.8   (#  2034:20  Double)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 414, 415, 416, 418, 419, 420, 168, 169, 170, 172,
       173, 174,
 igr2= 592, 593, 166,
 &end
#
#    12  VAL  HN     12  VAL  HB        3.5   (#  2035:20  Unique)
 &rst
  ixpk= 2035, nxpk= 20, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    12  VAL  HA     12  VAL  HB        4.5   (#  2036:20  Unique)
 &rst
  ixpk= 2036, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   104  ILE  HA    107  GLU  HG-       5.5   (#  2037:20  Unique)
 &rst
  ixpk= 2037, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1601,1602,
 &end
#
#   107  GLU  HN    107  GLU  HG-       3.5   (#  2038:20  Unique)
 &rst
  ixpk= 2038, 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   (#  2039:20  Unique)
 &rst
  ixpk= 2039, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#   104  ILE  HA    107  GLU  HG+       5.5   (#  2040:20  Unique)
 &rst
  ixpk= 2040, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1601,1602,
 &end
#
#   107  GLU  HB+   107  GLU  HG+       2.8   (#  2044:20  Unique)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1598,1599,
 igr2=1601,1602,
 &end
#
#   107  GLU  HA    107  GLU  HG-       3.5   (#  2045:20  Unique)
 &rst
  ixpk= 2045, 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   (#  2046:20  Unique)
 &rst
  ixpk= 2046, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#     0  AMB  20-2:2047 107  GLU  HG-       4.5   (#  2047:20  Single)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1660,1661,1657,1658,
 igr2=1601,1602,
 &end
#
#   110  LYS  HB+   107  GLU  HG+       5.5   (#  2049:20  Unique)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1654,1655,
 igr2=1601,1602,
 &end
#
#    51  GLU  HA     51  GLU  HG-       3.5   (#  2050:20  Unique)
 &rst
  ixpk= 2050, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 775, 776,
 &end
#
#     0  AMB  20-2:2051  51  GLU  HG-       5.5   (#  2051:20  Single)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 736, 760,
 igr2= 775, 776,
 &end
#
#    52  TYR  HD     51  GLU  HG-       5.5   (#  2052:20  Unique)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 791, 800,
 igr2= 775, 776,
 &end
#
#    52  TYR  HN     51  GLU  HG-       5.5   (#  2053:20  Unique)
 &rst
  ixpk= 2053, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 775, 776,
 &end
#
#    51  GLU  HN     51  GLU  HG-       4.5   (#  2054:20  Unique)
 &rst
  ixpk= 2054, 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   (#  2057:20  Unique)
 &rst
  ixpk= 2057, 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   (#  2059:20  Unique)
 &rst
  ixpk= 2059, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 775, 776,
 &end
#
#    52  TYR  HD     51  GLU  HG+       4.5   (#  2060:20  Unique)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 800,
 igr2= 775, 776,
 &end
#
#    52  TYR  HE     51  GLU  HG+       4.5   (#  2061:20  Unique)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 793, 798,
 igr2= 775, 776,
 &end
#
#   119  THR  MG2   117  GLU  HG-       3.5   (#  2066:20  Unique)
 &rst
  ixpk= 2066, 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
#
#   119  THR  MG2   117  GLU  HG+       3.5   (#  2067:20  Unique)
 &rst
  ixpk= 2067, 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   (#  2069:20  Unique)
 &rst
  ixpk= 2069, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1779,1780,
 &end
#
#     6  LEU  MDX     0  AMB  20-1:2070     4.5   (#  2070:20  Single)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 569, 570, 569, 570,
 &end
#
#   117  GLU  HA    117  GLU  HG-       3.5   (#  2071:20  Unique)
 &rst
  ixpk= 2071, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1779,1780,
 &end
#
#   117  GLU  HA    117  GLU  HG+       3.5   (#  2072:20  Unique)
 &rst
  ixpk= 2072, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1779,1780,
 &end
#
#   118  VAL  HN    117  GLU  HG+       4.5   (#  2073:20  Unique)
 &rst
  ixpk= 2073, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1779,1780,
 &end
#
#     0  AMB  20-2:2074   0  AMB  20-1:2074     2.8   (#  2074:20  Double)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1776,1777, 566, 567,
 igr2=1779,1780, 569, 570,
 &end
#
#     6  LEU  MDX    39  GLU  HG+       4.5   (#  2075:20  Unique)
 &rst
  ixpk= 2075, 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
#
#    39  GLU  HB-    39  GLU  HG+       2.8   (#  2076:20  Unique)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#     0  AMB  20-2:2077   0  AMB  20-1:2077     4.5   (#  2077:20  Double)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 562, 552,
 igr2= 569, 570, 569, 570, 569, 570,
 &end
#
#    37  ALA  MB      0  AMB  20-1:2078     5.5   (#  2078:20  Single)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 546, 547, 548,
 igr2= 569, 570, 569, 570,
 &end
#
#     0  AMB  20-2:2079   0  AMB  20-1:2079     2.8   (#  2079:20  Double)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1776,1777,1081,1082,1081,1082,
 igr2=1779,1780,1084,1085,1084,1085,
 &end
#
#   110  LYS  HB-   117  GLU  HG+       4.5   (#  2081:20  Unique)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1654,1655,
 igr2=1779,1780,
 &end
#
#    39  GLU  HA      0  AMB  20-1:2082     3.5   (#  2082:20  Single)
 &rst
  ixpk= 2082, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 569, 570, 569, 570,
 &end
#
#    39  GLU  HA     39  GLU  HG+       3.5   (#  2083:20  Unique)
 &rst
  ixpk= 2083, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 569, 570,
 &end
#
#     0  AMB  20-2:2084   0  AMB  20-1:2084     4.5   (#  2084:20  Double)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1301, 546, 547, 548,
 igr2=1779,1780, 569, 570,
 &end
#
#    39  GLU  HB-    39  GLU  HG-       2.8   (#  2085:20  Unique)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#    38  ALA  HN     39  GLU  HG+       4.5   (#  2086:20  Unique)
 &rst
  ixpk= 2086, nxpk= 20, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 569, 570,
 &end
#
#    74  LEU  MDY     0  AMB  20-1:2087     4.5   (#  2087:20  Single)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1084,1085,1084,1085,
 &end
#
#    72  GLU  HA     72  GLU  HG-       3.5   (#  2088:20  Unique)
 &rst
  ixpk= 2088, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1084,1085,
 &end
#
#     0  AMB  20-2:2089   0  AMB  20-1:2089     2.8   (#  2089:20  Double)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1081,1082, 566, 567,
 igr2=1084,1085, 569, 570,
 &end
#
#    72  GLU  HN     72  GLU  HG+       5.5   (#  2091:20  Unique)
 &rst
  ixpk= 2091, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#    72  GLU  HN      0  AMB  20-1:2092     5.5   (#  2092:20  Single)
 &rst
  ixpk= 2092, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1084,1085,1084,1085,
 &end
#
#    72  GLU  HA     72  GLU  HG+       3.5   (#  2093:20  Unique)
 &rst
  ixpk= 2093, 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+       4.5   (#  2094:20  Unique)
 &rst
  ixpk= 2094, 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
#
#    89  HIS  HE1    87  LYS  HB-       7.0   (#  2095:20  Unique)
 &rst
  ixpk= 2095, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1297,1298,
 &end
#
#   104  ILE  HN    104  ILE  HB        2.8   (#  2096:20  Unique)
 &rst
  ixpk= 2096, nxpk= 20, iat=1550,1554, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   105  SER  HN    104  ILE  HB        3.5   (#  2097:20  Unique)
 &rst
  ixpk= 2097, nxpk= 20, iat=1569,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HA    104  ILE  HB        4.5   (#  2098:20  Unique)
 &rst
  ixpk= 2098, nxpk= 20, iat=1552,1554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2099 104  ILE  HB        2.8   (#  2099:20  Single)
 &rst
  ixpk= 2099, 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
#
#   104  ILE  HG1+  104  ILE  HB        3.5   (#  2100:20  Unique)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#   104  ILE  HG1-  104  ILE  HB        3.5   (#  2101:20  Unique)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#    87  LYS  HG-    87  LYS  HB+       3.5   (#  2102:20  Unique)
 &rst
  ixpk= 2102, 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  HB+   117  GLU  HB+        5.5   (#  2103:20)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1297,1298,
 igr2=1776,1777,
 &end
#
#    87  LYS  HB-   117  GLU  HB+        4.5   (#  2104:20)
 &rst
  ixpk= 2104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1776,1777,
 &end
#
#    87  LYS  HG-    87  LYS  HB-       3.5   (#  2105:20  Unique)
 &rst
  ixpk= 2105, 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  HA     87  LYS  HB+       3.5   (#  2106:20  Unique)
 &rst
  ixpk= 2106, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1297,1298,
 &end
#
#    87  LYS  HD-    87  LYS  HB+       3.5   (#  2108:20  Unique)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1303,1304,
 igr2=1297,1298,
 &end
#
#    87  LYS  HA     87  LYS  HB-       4.5   (#  2109:20  Unique)
 &rst
  ixpk= 2109, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1297,1298,
 &end
#
#    87  LYS  HB-   117  GLU  HG+        4.5   (#  2113:20)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1779,1780,
 &end
#
#    43  ILE  HN     42  GLU  HG+       5.5   (#  2117:20  Unique)
 &rst
  ixpk= 2117, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#    24  LEU  MDY    42  GLU  HG-       3.5   (#  2118:20  Unique)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 617, 618,
 &end
#
#    26  ARG  HA     42  GLU  HG+       5.5   (#  2119:20  Unique)
 &rst
  ixpk= 2119, nxpk= 20, iat= 386,  -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   (#  2121:20  Unique)
 &rst
  ixpk= 2121, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#     0  AMB  20-2:2125   0  AMB  20-1:2125     4.5   (#  2125:20  Double)
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1388,1865,
 igr2=1371,1372,1371,1372,
 &end
#
#    91  TYR  HA     91  TYR  HB+       4.5   (#  2126:20  Unique)
 &rst
  ixpk= 2126, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#    42  GLU  HN     42  GLU  HG+       4.5   (#  2127:20  Unique)
 &rst
  ixpk= 2127, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#    26  ARG  HA     42  GLU  HG-       4.5   (#  2128:20  Unique)
 &rst
  ixpk= 2128, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#     0  AMB  20-2:2129  42  GLU  HG-       4.5   (#  2129:20  Single)
 &rst
  ixpk= 2129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 389,1108,
 igr2= 617, 618,
 &end
#
#     0  AMB  20-2:2130   0  AMB  20-1:2130     2.8   (#  2130:20  Double)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1112,
      1113,1114,1116,1117,1118,
 igr2= 617, 618, 617, 618, 617, 618,
 &end
#
#    42  GLU  HA     42  GLU  HG+       4.5   (#  2131:20  Unique)
 &rst
  ixpk= 2131, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#    91  TYR  HA     91  TYR  HB+       4.5   (#  2132:20  Unique)
 &rst
  ixpk= 2132, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#    42  GLU  HB-    42  GLU  HG-       2.8   (#  2134:20  Unique)
 &rst
  ixpk= 2134, 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  HA     42  GLU  HG-       3.5   (#  2135:20  Unique)
 &rst
  ixpk= 2135, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 617, 618,
 &end
#
#    91  TYR  HD     91  TYR  HB+       3.5   (#  2136:20  Unique)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1375,1384,
 igr2=1371,1372,
 &end
#
#    91  TYR  HA     91  TYR  HB-       3.5   (#  2138:20  Unique)
 &rst
  ixpk= 2138, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1371,1372,
 &end
#
#    91  TYR  HD     91  TYR  HB-       4.5   (#  2139:20  Unique)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1375,1384,
 igr2=1371,1372,
 &end
#
#   121  ALA  MB     91  TYR  HB-       5.5   (#  2140:20  Unique)
 &rst
  ixpk= 2140, 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
#
#     0  AMB  20-2:2141   0  AMB  20-1:2141     4.5   (#  2141:20  Double)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1388,1865,
 igr2=1371,1372,1371,1372,
 &end
#
#    26  ARG  HG+    42  GLU  HG-       4.5   (#  2142:20  Unique)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 391, 392,
 igr2= 617, 618,
 &end
#
#    92  GLY  HN     91  TYR  HB-       3.5   (#  2144:20  Unique)
 &rst
  ixpk= 2144, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1371,1372,
 &end
#
#    26  ARG  HG+    42  GLU  HG+       4.5   (#  2145:20  Unique)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 391, 392,
 igr2= 617, 618,
 &end
#
#   121  ALA  HN     91  TYR  HB-       5.5   (#  2146:20  Unique)
 &rst
  ixpk= 2146, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#     0  AMB  20-2:2147   0  AMB  20-1:2147     7.0   (#  2147:20  Double)
 &rst
  ixpk= 2147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 408, 384,
 igr2= 617, 618, 617, 618,
 &end
#
#     0  AMB  20-2:2148  42  GLU  HG-       5.5   (#  2148:20  Single)
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 408, 384,
 igr2= 617, 618,
 &end
#
#    42  GLU  HB-    42  GLU  HG+       2.8   (#  2149:20  Unique)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615,
 igr2= 617, 618,
 &end
#
#   121  ALA  MB     91  TYR  HB+       4.5   (#  2150:20  Unique)
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1845,1846,1847,
 igr2=1371,1372,
 &end
#
#   109  ILE  HG1-  109  ILE  HB        4.5   (#  2154:20  Unique)
 &rst
  ixpk= 2154, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1641,1642,
 &end
#
#     0  AMB  20-2:2155  57  TYR  HB2       3.5   (#  2155:20  Single)
 &rst
  ixpk= 2155, 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
#
#    58  ASP  HN     57  TYR  HB3       4.5   (#  2156:20  Unique)
 &rst
  ixpk= 2156, nxpk= 20, iat= 883, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HN    109  ILE  HB        4.5   (#  2157:20  Unique)
 &rst
  ixpk= 2157, nxpk= 20, iat=1650,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   109  ILE  HG1-  109  ILE  HB        7.0   (#  2158:20  Unique)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1641,1642,
 &end
#
#     0  AMB  20-2:2159  57  TYR  HB3       3.5   (#  2159:20  Single)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1, 867, 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
#
#   109  ILE  HG1+  109  ILE  HB        4.5   (#  2160:20  Unique)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1641,1642,
 &end
#
#    57  TYR  HD     57  TYR  HB2       3.5   (#  2162:20  Unique)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#    58  ASP  HN     57  TYR  HB2       4.5   (#  2166:20  Unique)
 &rst
  ixpk= 2166, nxpk= 20, iat= 883, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HD     57  TYR  HB3       3.5   (#  2167:20  Unique)
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#    57  TYR  HA     57  TYR  HB3       4.5   (#  2168:20  Unique)
 &rst
  ixpk= 2168, nxpk= 20, iat= 864, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HA     57  TYR  HB2       3.5   (#  2170:20  Unique)
 &rst
  ixpk= 2170, nxpk= 20, iat= 864, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    57  TYR  HN     57  TYR  HB3       3.5   (#  2171:20  Unique)
 &rst
  ixpk= 2171, nxpk= 20, iat= 862, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:2173 109  ILE  HB        3.5   (#  2173:20  Single)
 &rst
  ixpk= 2173, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1582,1633,
 &end
#
#     0  AMB  20-2:2174 109  ILE  HB        3.5   (#  2174:20  Single)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,1635, 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
#
#    57  TYR  HN     57  TYR  HB2       3.5   (#  2176:20  Unique)
 &rst
  ixpk= 2176, nxpk= 20, iat= 862, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   109  ILE  HG1+  109  ILE  HB        4.5   (#  2177:20  Unique)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1641,1642,
 &end
#
#   109  ILE  QD1   109  ILE  HB        3.5   (#  2178:20  Unique)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1644,1645,1646,
 &end
#
#   109  ILE  HN    109  ILE  HB        3.5   (#  2180:20  Unique)
 &rst
  ixpk= 2180, nxpk= 20, iat=1631,1635, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    54  ALA  MB     57  TYR  HB3       5.5   (#  2181:20  Unique)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 825, 826, 827,
 &end
#
#   109  ILE  QG2   109  ILE  HB        3.5   (#  2182:20  Unique)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#   122  ASN  HD2-  122  ASN  HB+       4.5   (#  2184:20  Unique)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#    54  ALA  HA     57  TYR  HB3       4.5   (#  2185:20  Unique)
 &rst
  ixpk= 2185, nxpk= 20, iat= 823, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    54  ALA  HA     57  TYR  HB2       4.5   (#  2186:20  Unique)
 &rst
  ixpk= 2186, nxpk= 20, iat= 823, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   122  ASN  HA    122  ASN  HB-       3.5   (#  2187:20  Unique)
 &rst
  ixpk= 2187, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1855,1856,
 &end
#
#   122  ASN  HD2+  122  ASN  HB-       4.5   (#  2192:20  Unique)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#   122  ASN  HD2-  122  ASN  HB-       3.5   (#  2193:20  Unique)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#   122  ASN  HN    122  ASN  HB+       4.5   (#  2196:20  Unique)
 &rst
  ixpk= 2196, nxpk= 20, iat=1851,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1855,1856,
 &end
#
#   122  ASN  HN    122  ASN  HB-       3.5   (#  2197:20  Unique)
 &rst
  ixpk= 2197, nxpk= 20, iat=1851,  -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   (#  2198:20  Unique)
 &rst
  ixpk= 2198, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1855,1856,
 &end
#
#   120  TRP  HB-   122  ASN  HB-       5.5   (#  2200:20  Unique)
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1821,1822,
 igr2=1855,1856,
 &end
#
#   123  ASP  HN    122  ASN  HB-       5.5   (#  2201:20  Unique)
 &rst
  ixpk= 2201, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1855,1856,
 &end
#
#    56  ILE  HG1-   56  ILE  HB        3.5   (#  2202:20  Unique)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 853, 854,
 &end
#
#   123  ASP  HB+   122  ASN  HB+       5.5   (#  2203:20  Unique)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1869,1870,
 igr2=1855,1856,
 &end
#
#    56  ILE  HN     56  ILE  HB        3.5   (#  2204:20  Unique)
 &rst
  ixpk= 2204, nxpk= 20, iat= 843, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    57  TYR  HN     56  ILE  HB        3.5   (#  2205:20  Unique)
 &rst
  ixpk= 2205, nxpk= 20, iat= 862, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:2206  56  ILE  HB        2.8   (#  2206:20  Single)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 336, 337, 338, 340, 341, 342, 856, 857, 858,
 &end
#
#     0  AMB  20-2:2207  56  ILE  HB        2.8   (#  2207:20  Single)
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 849, 850, 851, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 &end
#
#    56  ILE  HG1+   56  ILE  HB        4.5   (#  2208:20  Unique)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 853, 854,
 &end
#
#    56  ILE  HA     56  ILE  HB        4.5   (#  2210:20  Unique)
 &rst
  ixpk= 2210, nxpk= 20, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  HA      9  ILE  HB        4.5   (#  2215:20  Unique)
 &rst
  ixpk= 2215, nxpk= 20, iat=  71, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    41  LYS  HE-     9  ILE  HB        4.5   (#  2219:20  Unique)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 601, 602,
 &end
#
#     0  AMB  20-2:2221   9  ILE  HB        2.8   (#  2221:20  Single)
 &rst
  ixpk= 2221, 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  HA      9  ILE  HB        4.5   (#  2223:20  Unique)
 &rst
  ixpk= 2223, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     9  ILE  HN      9  ILE  HB        2.8   (#  2224:20  Unique)
 &rst
  ixpk= 2224, nxpk= 20, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:2225   9  ILE  HB        3.5   (#  2225:20  Single)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 127, 128, 598, 599,
 &end
#
#     9  ILE  HG1+    9  ILE  HB        3.5   (#  2226:20  Unique)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#    54  ALA  HN     52  TYR  HB+       5.5   (#  2234:20  Unique)
 &rst
  ixpk= 2234, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#    54  ALA  MB     52  TYR  HB+       4.5   (#  2240:20  Unique)
 &rst
  ixpk= 2240, 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
#
#    52  TYR  HN     52  TYR  HB+       3.5   (#  2241:20  Unique)
 &rst
  ixpk= 2241, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 787, 788,
 &end
#
#    54  ALA  HN     52  TYR  HB-       5.5   (#  2242:20  Unique)
 &rst
  ixpk= 2242, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#    55  ASP  HN     52  TYR  HB+       4.5   (#  2243:20  Unique)
 &rst
  ixpk= 2243, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#    52  TYR  HN     52  TYR  HB-       5.5   (#  2246:20  Unique)
 &rst
  ixpk= 2246, 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   (#  2249:20  Unique)
 &rst
  ixpk= 2249, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#    52  TYR  HD     52  TYR  HB+       3.5   (#  2250:20  Unique)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 791, 800,
 igr2= 787, 788,
 &end
#
#    54  ALA  MB     52  TYR  HB-       4.5   (#  2253:20  Unique)
 &rst
  ixpk= 2253, 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
#
#    52  TYR  HD     52  TYR  HB-       3.5   (#  2255:20  Unique)
 &rst
  ixpk= 2255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 791, 800,
 igr2= 787, 788,
 &end
#
#    55  ASP  HN     52  TYR  HB-       4.5   (#  2256:20  Unique)
 &rst
  ixpk= 2256, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#    52  TYR  HA     52  TYR  HB+       4.5   (#  2258:20  Unique)
 &rst
  ixpk= 2258, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#    54  ALA  HN     52  TYR  HB-       5.5   (#  2261:20  Unique)
 &rst
  ixpk= 2261, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#    52  TYR  HA     52  TYR  HB-       3.5   (#  2264:20  Unique)
 &rst
  ixpk= 2264, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 787, 788,
 &end
#
#    67  GLN  HG+    63  ASP  HB2       5.5   (#  2265:20  Unique)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1026,1027,
 &end
#
#    47  TYR  HD     20  PHE  HB-       7.0   (#  2268:20  Unique)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 699, 708,
 igr2= 271, 272,
 &end
#
#    99  PRO  HB-    93  TYR  HB-       5.5   (#  2269:20  Unique)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,
 igr2=1399,1400,
 &end
#
#     0  AMB  20-2:2275  93  TYR  HB-       5.5   (#  2275:20  Single)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1403,1412,1860,1861,
 igr2=1399,1400,
 &end
#
#     0  AMB  20-2:2276  63  ASP  HB2       4.5   (#  2276:20  Single)
 &rst
  ixpk= 2276, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 919, 946, 947,
 &end
#
#    93  TYR  HA     93  TYR  HB+       5.5   (#  2282:20  Unique)
 &rst
  ixpk= 2282, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#    93  TYR  HA     93  TYR  HB-       5.5   (#  2283:20  Unique)
 &rst
  ixpk= 2283, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#    94  SER  HN     93  TYR  HB-       5.5   (#  2284:20  Unique)
 &rst
  ixpk= 2284, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#     0  AMB  20-2:2285   0  AMB  20-1:2285     4.5   (#  2285:20  Double)
 &rst
  ixpk= 2285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1403,1412,1860,1861,
 igr2=1399,1400,1399,1400,
 &end
#
#    66  LYS  HE+    63  ASP  HB3       4.5   (#  2286:20  Unique)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1010,1011,
 &end
#
#    64  MET  ME     63  ASP  HB3       5.5   (#  2287:20  Unique)
 &rst
  ixpk= 2287, 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  HB3       5.5   (#  2288:20  Unique)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 974, 975, 976,
 &end
#
#    63  ASP  HA     63  ASP  HB3       3.5   (#  2289:20  Unique)
 &rst
  ixpk= 2289, nxpk= 20, iat= 953, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    21  LYS  HN     20  PHE  HB-       5.5   (#  2291:20  Unique)
 &rst
  ixpk= 2291, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#    63  ASP  HA     63  ASP  HB2       2.8   (#  2292:20  Unique)
 &rst
  ixpk= 2292, nxpk= 20, iat= 953, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    60  VAL  HA     63  ASP  HB2       4.5   (#  2293:20  Unique)
 &rst
  ixpk= 2293, nxpk= 20, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    63  ASP  HN     63  ASP  HB3       2.8   (#  2294:20  Unique)
 &rst
  ixpk= 2294, nxpk= 20, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    64  MET  HG-    63  ASP  HB3       5.5   (#  2295:20  Unique)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 970, 971,
 &end
#
#    64  MET  ME     63  ASP  HB2       4.5   (#  2297:20  Unique)
 &rst
  ixpk= 2297, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#    60  VAL  HA     63  ASP  HB3       3.5   (#  2298:20  Unique)
 &rst
  ixpk= 2298, nxpk= 20, iat= 919, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    20  PHE  HA     20  PHE  HB-       4.5   (#  2299:20  Unique)
 &rst
  ixpk= 2299, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 271, 272,
 &end
#
#    64  MET  HN     63  ASP  HB3       3.5   (#  2300:20  Unique)
 &rst
  ixpk= 2300, nxpk= 20, iat= 963, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HN     63  ASP  HB2       3.5   (#  2301:20  Unique)
 &rst
  ixpk= 2301, nxpk= 20, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HN     63  ASP  HB2       4.5   (#  2302:20  Unique)
 &rst
  ixpk= 2302, nxpk= 20, iat= 963, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    60  VAL  MGX    63  ASP  HB3       5.5   (#  2308:20  Unique)
 &rst
  ixpk= 2308, 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
#
#    51  GLU  HA     20  PHE  HB+       5.5   (#  2311:20  Unique)
 &rst
  ixpk= 2311, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#    51  GLU  HA     20  PHE  HB+       5.5   (#  2312:20  Unique)
 &rst
  ixpk= 2312, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#    58  ASP  HA     58  ASP  HB+       3.5   (#  2313:20  Unique)
 &rst
  ixpk= 2313, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    58  ASP  HA     58  ASP  HB-       2.8   (#  2314:20  Unique)
 &rst
  ixpk= 2314, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 887, 888,
 &end
#
#    58  ASP  HN     58  ASP  HB+       2.8   (#  2315:20  Unique)
 &rst
  ixpk= 2315, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 887, 888,
 &end
#
#    55  ASP  HA     58  ASP  HB+       4.5   (#  2316:20  Unique)
 &rst
  ixpk= 2316, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#    20  PHE  HA     20  PHE  HB+       5.5   (#  2317:20  Unique)
 &rst
  ixpk= 2317, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#    59  LYS  HN     58  ASP  HB+       3.5   (#  2320:20  Unique)
 &rst
  ixpk= 2320, nxpk= 20, iat= 895,  -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   (#  2321:20  Unique)
 &rst
  ixpk= 2321, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    58  ASP  HN     58  ASP  HB-       3.5   (#  2322:20  Unique)
 &rst
  ixpk= 2322, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#     0  AMB  20-2:2326 125  TYR  HB-       4.5   (#  2326:20  Single)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1390,1391,1886,
 igr2=1888,1889,
 &end
#
#     0  AMB  20-2:2327   0  AMB  20-1:2327     4.5   (#  2327:20  Double)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1390,1391,1886,
 igr2=1888,1889,1888,1889,
 &end
#
#   125  TYR  HD    125  TYR  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=1892,1901,
 igr2=1888,1889,
 &end
#
#   125  TYR  HD    125  TYR  HB-       4.5   (#  2329:20  Unique)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1892,1901,
 igr2=1888,1889,
 &end
#
#    93  TYR  HE    125  TYR  HB-       5.5   (#  2332:20  Unique)
 &rst
  ixpk= 2332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1405,1410,
 igr2=1888,1889,
 &end
#
#   125  TYR  HN    125  TYR  HB-       5.5   (#  2333:20  Unique)
 &rst
  ixpk= 2333, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1888,1889,
 &end
#
#     0  AMB  20-2:2342   0  AMB  20-1:2342     5.5   (#  2342:20  Double)
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1124,1125,1390,1391,
 igr2=1458,1459,1888,1889,
 &end
#
#    75  GLY  HA+    97  TYR  HB+       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=1124,1125,
 igr2=1458,1459,
 &end
#
#    97  TYR  HD     97  TYR  HB+       3.5   (#  2348:20  Unique)
 &rst
  ixpk= 2348, 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  20-2:2349   0  AMB  20-1:2349     4.5   (#  2349:20  Double)
 &rst
  ixpk= 2349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1454,1129,
 igr2=1458,1459,1458,1459,
 &end
#
#    74  LEU  HN     74  LEU  HB3       4.5   (#  2350:20  Unique)
 &rst
  ixpk= 2350, nxpk= 20, iat=1103,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    75  GLY  HA-    97  TYR  HB-       3.5   (#  2351:20  Unique)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1124,1125,
 igr2=1458,1459,
 &end
#
#    97  TYR  HA     97  TYR  HB-       5.5   (#  2352:20  Unique)
 &rst
  ixpk= 2352, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#    97  TYR  HD     97  TYR  HB-       3.5   (#  2353:20  Unique)
 &rst
  ixpk= 2353, 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  20-2:2354  97  TYR  HB-       4.5   (#  2354:20  Single)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1454,1129,
 igr2=1458,1459,
 &end
#
#    74  LEU  HA     74  LEU  HB2       4.5   (#  2355:20  Unique)
 &rst
  ixpk= 2355, nxpk= 20, iat=1105,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  MDY    74  LEU  HB3       3.5   (#  2357:20  Unique)
 &rst
  ixpk= 2357, 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
#
#     0  AMB  20-2:2358  74  LEU  HB3       5.5   (#  2358:20  Single)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1510,1511, 617, 618,1081,1082,
 &end
#
#    74  LEU  HA     74  LEU  HB3       3.5   (#  2359:20  Unique)
 &rst
  ixpk= 2359, nxpk= 20, iat=1105,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HG     74  LEU  HB2       3.5   (#  2360:20  Unique)
 &rst
  ixpk= 2360, nxpk= 20, iat=1110,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HG     74  LEU  HB3       3.5   (#  2361:20  Unique)
 &rst
  ixpk= 2361, nxpk= 20, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    97  TYR  HA     97  TYR  HB+       3.5   (#  2364:20  Unique)
 &rst
  ixpk= 2364, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1458,1459,
 &end
#
#    74  LEU  HN     74  LEU  HB2       4.5   (#  2365:20  Unique)
 &rst
  ixpk= 2365, nxpk= 20, iat=1103,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  MDX    74  LEU  HB3       2.8   (#  2366:20  Unique)
 &rst
  ixpk= 2366, nxpk= 20, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#     0  AMB  20-2:2367  74  LEU  HB2       2.8   (#  2367:20  Single)
 &rst
  ixpk= 2367, nxpk= 20, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    45  ARG  HE     43  ILE  HB        4.5   (#  2368:20  Unique)
 &rst
  ixpk= 2368, nxpk= 20, iat= 673, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2371  43  ILE  HB        5.5   (#  2371:20  Single)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 667, 668, 369,
 &end
#
#     0  AMB  20-2:2372   0  AMB  20-1:2372     4.5   (#  2372:20  Double)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1110, 598, 599,
 igr2=1107,  74,
 &end
#
#    43  ILE  QD1    43  ILE  HB        3.5   (#  2373:20  Unique)
 &rst
  ixpk= 2373, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 638, 639, 640,
 &end
#
#    11  ASP  HA     43  ILE  HB        4.5   (#  2376:20  Unique)
 &rst
  ixpk= 2376, nxpk= 20, iat= 152, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    43  ILE  HA     43  ILE  HB        3.5   (#  2377:20  Unique)
 &rst
  ixpk= 2377, 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   (#  2378:20  Unique)
 &rst
  ixpk= 2378, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#    44  VAL  HN     43  ILE  HB        3.5   (#  2379:20  Unique)
 &rst
  ixpk= 2379, nxpk= 20, iat= 644, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    43  ILE  HG1+   43  ILE  HB        4.5   (#  2381:20  Unique)
 &rst
  ixpk= 2381, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 635, 636,
 &end
#
#    43  ILE  HG1-   43  ILE  HB        3.5   (#  2382:20  Unique)
 &rst
  ixpk= 2382, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    41  LYS  HG-     6  LEU  HB3       5.5   (#  2383:20  Unique)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#     8  LEU  HN      5  ASP  HB+       5.5   (#  2384:20  Unique)
 &rst
  ixpk= 2384, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  61,  62,
 &end
#
#     6  LEU  MDY     6  LEU  HB3       3.5   (#  2385:20  Unique)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     5  ASP  HN      5  ASP  HB+       3.5   (#  2386:20  Unique)
 &rst
  ixpk= 2386, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#     4  ALA  HA      5  ASP  HB-       5.5   (#  2387:20  Unique)
 &rst
  ixpk= 2387, nxpk= 20, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  61,  62,
 &end
#
#     0  AMB  20-2:2389   6  LEU  HB3       4.5   (#  2389:20  Single)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 130, 131, 132, 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  20-2:2390   0  AMB  20-1:2390     4.5   (#  2390:20  Double)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1619,1620,1614,
 igr2= 154, 155, 154, 155,
 &end
#
#    11  ASP  HA     11  ASP  HB+       3.5   (#  2391:20  Unique)
 &rst
  ixpk= 2391, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#    79  ILE  HN     79  ILE  HB        4.5   (#  2392:20  Unique)
 &rst
  ixpk= 2392, nxpk= 20, iat=1167,1171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11  ASP  HA     11  ASP  HB-       3.5   (#  2394:20  Unique)
 &rst
  ixpk= 2394, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#    12  VAL  HN     11  ASP  HB+       4.5   (#  2395:20  Unique)
 &rst
  ixpk= 2395, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 154, 155,
 &end
#
#     0  AMB  20-2:2396   0  AMB  20-1:2396     3.5   (#  2396:20  Double)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1619,1620, 105,
 igr2= 154, 155,  61,  62,
 &end
#
#    12  VAL  MGX    11  ASP  HB-       3.5   (#  2399:20  Unique)
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2= 154, 155,
 &end
#
#   108  LYS  HD-    11  ASP  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=1619,1620,
 igr2= 154, 155,
 &end
#
#     8  LEU  MDX     5  ASP  HB+       3.5   (#  2402:20  Unique)
 &rst
  ixpk= 2402, 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=  61,  62,
 &end
#
#     5  ASP  HN      5  ASP  HB-       3.5   (#  2404:20  Unique)
 &rst
  ixpk= 2404, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#    12  VAL  MGX    11  ASP  HB+       3.5   (#  2405:20  Unique)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2= 154, 155,
 &end
#
#     5  ASP  HA      5  ASP  HB-       2.8   (#  2406:20  Unique)
 &rst
  ixpk= 2406, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  61,  62,
 &end
#
#     5  ASP  HA      5  ASP  HB+       3.5   (#  2407:20  Unique)
 &rst
  ixpk= 2407, nxpk= 20, iat=  59,  -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   (#  2408:20  Unique)
 &rst
  ixpk= 2408, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#    79  ILE  HG1-   79  ILE  HB        5.5   (#  2410:20  Unique)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,
 &end
#
#     0  AMB  20-2:2412   0  AMB  20-1:2412     4.5   (#  2412:20  Double)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1619,1620,1614,
 igr2= 154, 155, 154, 155,
 &end
#
#     6  LEU  HN      5  ASP  HB-       5.5   (#  2413:20  Unique)
 &rst
  ixpk= 2413, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  61,  62,
 &end
#
#    79  ILE  QD1    79  ILE  HB        4.5   (#  2414:20  Unique)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1180,1181,1182,
 &end
#
#     8  LEU  HG      5  ASP  HB+       3.5   (#  2416:20  Unique)
 &rst
  ixpk= 2416, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#    50  ALA  HA     55  ASP  HB2       5.5   (#  2418:20  Unique)
 &rst
  ixpk= 2418, nxpk= 20, iat= 760, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2419   0  AMB  20-1:2419     4.5   (#  2419:20  Double)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 107, 108, 109, 111, 112, 113, 595, 596,
 igr2=  61,  62, 154, 155,
 &end
#
#     6  LEU  HN      6  LEU  HB3       4.5   (#  2421:20  Unique)
 &rst
  ixpk= 2421, nxpk= 20, iat=  69,  74, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  MDX     6  LEU  HB2       2.8   (#  2422:20  Unique)
 &rst
  ixpk= 2422, 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  HA      6  LEU  HB3       3.5   (#  2423:20  Unique)
 &rst
  ixpk= 2423, nxpk= 20, iat=  71,  74, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HN      6  LEU  HB2       4.5   (#  2424:20  Unique)
 &rst
  ixpk= 2424, nxpk= 20, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    50  ALA  MB     55  ASP  HB3       3.5   (#  2426:20  Unique)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#     6  LEU  HA      6  LEU  HB2       3.5   (#  2427:20  Unique)
 &rst
  ixpk= 2427, nxpk= 20, iat=  71,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    12  VAL  HN     11  ASP  HB-       5.5   (#  2428:20  Unique)
 &rst
  ixpk= 2428, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#     6  LEU  MDY     6  LEU  HB2       4.5   (#  2430:20  Unique)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  20-2:2431  79  ILE  HB        3.5   (#  2431:20  Single)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1177,1178,1173,1174,1175,
 &end
#
#    41  LYS  HG+     6  LEU  HB2       5.5   (#  2432:20  Unique)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#     0  AMB  20-2:2435  55  ASP  HB3       4.5   (#  2435:20  Single)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 751, 793, 798,
 &end
#
#    52  TYR  HE     55  ASP  HB2       3.5   (#  2437:20  Unique)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 793, 798,
 &end
#
#    55  ASP  HA     55  ASP  HB3       4.5   (#  2438:20  Unique)
 &rst
  ixpk= 2438, nxpk= 20, iat= 833, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  HN      6  LEU  HB2       4.5   (#  2439:20  Unique)
 &rst
  ixpk= 2439, nxpk= 20, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    51  GLU  HN     55  ASP  HB3       5.5   (#  2441:20  Unique)
 &rst
  ixpk= 2441, nxpk= 20, iat= 768, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     8  LEU  MDY     5  ASP  HB-       4.5   (#  2442:20  Unique)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2=  61,  62,
 &end
#
#     0  AMB  20-2:2444  55  ASP  HB3       3.5   (#  2444:20  Single)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 843, 831,
 &end
#
#    50  ALA  MB     55  ASP  HB2       3.5   (#  2448:20  Unique)
 &rst
  ixpk= 2448, nxpk= 20, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#    55  ASP  HN     55  ASP  HB2       3.5   (#  2449:20  Unique)
 &rst
  ixpk= 2449, nxpk= 20, iat= 831, 835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     7  ALA  HN      6  LEU  HB2       5.5   (#  2450:20  Unique)
 &rst
  ixpk= 2450, nxpk= 20, iat=  88,  73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HA     55  ASP  HB2       3.5   (#  2451:20  Unique)
 &rst
  ixpk= 2451, nxpk= 20, iat= 833, 835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     5  ASP  HB+     8  LEU  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=  61,  62,
 igr2= 102, 103,
 &end
#
#     7  ALA  HN      6  LEU  HB2       5.5   (#  2453:20  Unique)
 &rst
  ixpk= 2453, nxpk= 20, iat=  88,  73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:2454   6  LEU  HB3       5.5   (#  2454:20  Single)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,  61,  62,
 &end
#
#     9  ILE  HG1-    8  LEU  HB+       4.5   (#  2455:20  Unique)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128,
 igr2= 102, 103,
 &end
#
#     8  LEU  MDY     8  LEU  HB-       3.5   (#  2458:20  Unique)
 &rst
  ixpk= 2458, 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
#
#     0  AMB  20-2:2460   8  LEU  HB-       3.5   (#  2460:20  Single)
 &rst
  ixpk= 2460, 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  MDX     8  LEU  HB+       2.8   (#  2461:20  Unique)
 &rst
  ixpk= 2461, 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  MDX     8  LEU  HB-       2.8   (#  2462:20  Unique)
 &rst
  ixpk= 2462, 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   (#  2463:20  Unique)
 &rst
  ixpk= 2463, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#     0  AMB  20-2:2464   0  AMB  20-1:2464     2.8   (#  2464:20  Double)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  98, 117,
 igr2= 102, 103, 102, 103,
 &end
#
#     8  LEU  HA      8  LEU  HB+       3.5   (#  2465:20  Unique)
 &rst
  ixpk= 2465, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#     8  LEU  MDY     8  LEU  HB+       3.5   (#  2466:20  Unique)
 &rst
  ixpk= 2466, 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
#
#    59  LYS  HB+    59  LYS  HE+       4.5   (#  2473:20  Unique)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 899, 900,
 igr2= 908, 909,
 &end
#
#    13  ASP  HA     13  ASP  HB2       2.8   (#  2474:20  Unique)
 &rst
  ixpk= 2474, nxpk= 20, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    45  ARG  HD+    13  ASP  HB2       4.5   (#  2475:20  Unique)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#    49  TRP  HZ2    59  LYS  HE+       5.5   (#  2476:20  Unique)
 &rst
  ixpk= 2476, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 908, 909,
 &end
#
#    45  ARG  HD+    13  ASP  HB3       4.5   (#  2479:20  Unique)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#    13  ASP  HN     13  ASP  HB3       5.5   (#  2482:20  Unique)
 &rst
  ixpk= 2482, nxpk= 20, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HD-    13  ASP  HB3       5.5   (#  2483:20  Unique)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    45  ARG  HD-    13  ASP  HB2       5.5   (#  2485:20  Unique)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    87  LYS  HG-    87  LYS  HE+       3.5   (#  2487:20  Unique)
 &rst
  ixpk= 2487, 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  20-2:2488  13  ASP  HB2       4.5   (#  2488:20  Single)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 190, 162,
 &end
#
#     0  AMB  20-2:2489   0  AMB  20-1:2489     2.8   (#  2489:20  Double)
 &rst
  ixpk= 2489, 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
#
#    13  ASP  HN     13  ASP  HB2       4.5   (#  2491:20  Unique)
 &rst
  ixpk= 2491, nxpk= 20, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    59  LYS  HG+    59  LYS  HE+       2.8   (#  2492:20  Unique)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 902, 903,
 igr2= 908, 909,
 &end
#
#    87  LYS  HG+    87  LYS  HE+       3.5   (#  2493:20  Unique)
 &rst
  ixpk= 2493, 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  20-2:2495   0  AMB  20-1:2495     2.8   (#  2495:20  Double)
 &rst
  ixpk= 2495, 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
#
#    41  LYS  HG+    41  LYS  HE+       4.5   (#  2497:20  Unique)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#     9  ILE  HB     41  LYS  HE+       4.5   (#  2498:20  Unique)
 &rst
  ixpk= 2498, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 601, 602,
 &end
#
#    59  LYS  HD+    59  LYS  HE+       2.8   (#  2500:20  Unique)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 905, 906,
 igr2= 908, 909,
 &end
#
#     0  AMB  20-2:2501 110  LYS  HE-       3.5   (#  2501:20  Single)
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1791,1776,1777,
 igr2=1663,1664,
 &end
#
#    63  ASP  HA     66  LYS  HE+       4.5   (#  2502:20  Unique)
 &rst
  ixpk= 2502, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1010,1011,
 &end
#
#    41  LYS  HG-    41  LYS  HE+       3.5   (#  2505:20  Unique)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#     0  AMB  20-2:2506   0  AMB  20-1:2506     5.5   (#  2506:20  Double)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 999, 897,
 igr2=1010,1011,1010,1011,
 &end
#
#     0  AMB  20-2:2507   0  AMB  20-1:2507     4.5   (#  2507:20  Double)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1001,1002,1791,
 igr2=1010,1011,1663,1664,
 &end
#
#     0  AMB  20-2:2508  41  LYS  HE-       4.5   (#  2508:20  Single)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  74, 635, 636,
 igr2= 601, 602,
 &end
#
#    41  LYS  HG+    41  LYS  HE-       4.5   (#  2509:20  Unique)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#     0  AMB  20-2:2510  41  LYS  HE-       3.5   (#  2510:20  Single)
 &rst
  ixpk= 2510, 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
#
#    27  VAL  MGY    41  LYS  HE-       3.5   (#  2511:20  Unique)
 &rst
  ixpk= 2511, 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= 601, 602,
 &end
#
#    41  LYS  HD+    41  LYS  HE+       4.5   (#  2512:20  Unique)
 &rst
  ixpk= 2512, 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  20-2:2515   0  AMB  20-1:2515     2.8   (#  2515:20  Double)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1004,1005, 614, 615,
 igr2=1010,1011,1622,1623,
 &end
#
#     9  ILE  HB     41  LYS  HE-       3.5   (#  2517:20  Unique)
 &rst
  ixpk= 2517, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 601, 602,
 &end
#
#     0  AMB  20-2:2518  13  ASP  HB3       5.5   (#  2518:20  Single)
 &rst
  ixpk= 2518, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 190, 162,
 &end
#
#     0  AMB  20-2:2520   0  AMB  20-1:2520     3.5   (#  2520:20  Double)
 &rst
  ixpk= 2520, 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  20-2:2521   0  AMB  20-1:2521     3.5   (#  2521:20  Double)
 &rst
  ixpk= 2521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1657,1658,1616,1617,1619,1620,1660,1661,
 igr2=1663,1664,1622,1623,1622,1623,
 &end
#
#   110  LYS  HB-   110  LYS  HE+       5.5   (#  2522:20  Unique)
 &rst
  ixpk= 2522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1654,1655,
 igr2=1663,1664,
 &end
#
#     9  ILE  HB     41  LYS  HE+       5.5   (#  2523:20  Unique)
 &rst
  ixpk= 2523, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 601, 602,
 &end
#
#     0  AMB  20-2:2524   0  AMB  20-1:2524     4.5   (#  2524:20  Double)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1791,1776,1777,
 igr2=1663,1664,1663,1664,
 &end
#
#     0  AMB  20-2:2525   0  AMB  20-1:2525     4.5   (#  2525:20  Double)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1657,1658,1004,1005,
 igr2=1663,1664,1010,1011,
 &end
#
#    41  LYS  HD-    41  LYS  HE+       4.5   (#  2526:20  Unique)
 &rst
  ixpk= 2526, 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  20-2:2527   0  AMB  20-1:2527     3.5   (#  2527:20  Double)
 &rst
  ixpk= 2527, 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
#
#     0  AMB  20-2:2528   0  AMB  20-1:2528     2.8   (#  2528:20  Double)
 &rst
  ixpk= 2528, 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
#
#   110  LYS  HG-   110  LYS  HE+       3.5   (#  2529:20  Unique)
 &rst
  ixpk= 2529, 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  20-2:2530   0  AMB  20-1:2530     3.5   (#  2530:20  Double)
 &rst
  ixpk= 2530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1654,1655,1660,1661, 614, 615,
 igr2=1663,1664,1622,1623,
 &end
#
#     0  AMB  20-2:2533   0  AMB  20-1:2533     5.5   (#  2533:20  Double)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 770, 897,1684,1611,
 igr2= 300, 301, 908, 909,1695,1696,
 &end
#
#   110  LYS  HD+   110  LYS  HE-       3.5   (#  2534:20  Unique)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1660,1661,
 igr2=1663,1664,
 &end
#
#    12  VAL  HB    112  LYS  HE+       5.5   (#  2535:20  Unique)
 &rst
  ixpk= 2535, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1695,1696,
 &end
#
#   117  GLU  HA    110  LYS  HE+       5.5   (#  2536:20  Unique)
 &rst
  ixpk= 2536, 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   (#  2537:20  Unique)
 &rst
  ixpk= 2537, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1663,1664,
 &end
#
#     0  AMB  20-2:2538   0  AMB  20-1:2538     5.5   (#  2538:20  Double)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799, 168, 169, 170, 172, 173, 174, 355, 356,
       357, 359, 360, 361,
 igr2=1663,1664,1622,1623,1622,1623,
 &end
#
#     0  AMB  20-2:2539 110  LYS  HE-       5.5   (#  2539:20  Single)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1586,1587,1588,1809,1810,1811,
 igr2=1663,1664,
 &end
#
#   104  ILE  QG2   108  LYS  HE+       3.5   (#  2540:20  Unique)
 &rst
  ixpk= 2540, 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  20-2:2541   0  AMB  20-1:2541     5.5   (#  2541:20  Double)
 &rst
  ixpk= 2541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799, 168, 169, 170, 172, 173, 174, 355, 356,
       357, 359, 360, 361,
 igr2=1663,1664,1622,1623,1622,1623,
 &end
#
#   108  LYS  HD-   108  LYS  HE+       3.5   (#  2542:20  Unique)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1619,1620,
 igr2=1622,1623,
 &end
#
#    12  VAL  MGY   112  LYS  HE+       5.5   (#  2544:20  Unique)
 &rst
  ixpk= 2544, 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=1695,1696,
 &end
#
#     0  AMB  20-2:2546   0  AMB  20-1:2546     3.5   (#  2546:20  Double)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 614, 615, 775, 776,1613, 617, 618, 772, 773,
 igr2=1622,1623, 300, 301,
 &end
#
#     0  AMB  20-2:2548   0  AMB  20-1:2548     3.5   (#  2548:20  Double)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,
 igr2=1622,1623,1695,1696,
 &end
#
#    42  GLU  HN    108  LYS  HE+       5.5   (#  2549:20  Unique)
 &rst
  ixpk= 2549, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1622,1623,
 &end
#
#     0  AMB  20-2:2552   0  AMB  20-1:2552     3.5   (#  2552:20  Double)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1692,1693, 297, 298,1300,1301,
 igr2=1695,1696, 300, 301,1306,1307,
 &end
#
#     0  AMB  20-2:2553   0  AMB  20-1:2553     5.5   (#  2553:20  Double)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 154, 155,1153,1154,
 igr2=1695,1696, 300, 301,
 &end
#
#     0  AMB  20-2:2554   0  AMB  20-1:2554     3.5   (#  2554:20  Double)
 &rst
  ixpk= 2554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1619,1620,1692,1693, 297, 298,
 igr2=1622,1623,1695,1696, 300, 301,
 &end
#
#     0  AMB  20-2:2555 112  LYS  HE-       2.8   (#  2555:20  Single)
 &rst
  ixpk= 2555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1695,1696,
 &end
#
#     0  AMB  20-2:2556   0  AMB  20-1:2556     3.5   (#  2556:20  Double)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1692,1693, 297, 298,
 igr2=1695,1696, 300, 301,
 &end
#
#     0  AMB  20-2:2557   0  AMB  20-1:2557     3.5   (#  2557:20  Double)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1692,1693, 297, 298,
 igr2=1695,1696, 300, 301,
 &end
#
#     0  AMB  20-2:2562   0  AMB  20-1:2562     2.8   (#  2562:20  Double)
 &rst
  ixpk= 2562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1695,1696,1695,1696,
 &end
#
#     0  AMB  20-2:2564   0  AMB  20-1:2564     3.5   (#  2564:20  Double)
 &rst
  ixpk= 2564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1147,1148, 257, 258, 259,
 igr2=1153,1154,1153,1154,
 &end
#
#    78  ARG  HG+    78  ARG  HD+       4.5   (#  2565:20  Unique)
 &rst
  ixpk= 2565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#    21  LYS  HA     78  ARG  HD+       5.5   (#  2566:20  Unique)
 &rst
  ixpk= 2566, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1153,1154,
 &end
#
#     0  AMB  20-2:2568  78  ARG  HD-       2.8   (#  2568:20  Single)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1147,1148, 257, 258, 259,
 igr2=1153,1154,
 &end
#
#     0  AMB  20-2:2571   0  AMB  20-1:2571     3.5   (#  2571:20  Double)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1150,1151,1150,1151,
 igr2=1153,1154, 300, 301,
 &end
#
#    78  ARG  HD-    21  LYS  HA         7.0   (#  2572:20)
 &rst
  ixpk= 2572, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1153,1154,
 &end
#
#    78  ARG  HB-    78  ARG  HD+       5.5   (#  2573:20  Unique)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1147,1148,
 igr2=1153,1154,
 &end
#
#    78  ARG  HG+    78  ARG  HD+       4.5   (#  2574:20  Unique)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#    78  ARG  HG+    78  ARG  HD+       4.5   (#  2575:20  Unique)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#   124  GLY  HA-   123  ASP  HB+       5.5   (#  2576:20  Unique)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1879,1880,
 igr2=1869,1870,
 &end
#
#    97  TYR  HB+    75  GLY  HA+       5.5   (#  2577:20  Unique)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#    14  ILE  QG2    14  ILE  HB        2.8   (#  2580:20  Unique)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 196, 197, 198,
 &end
#
#   123  ASP  HA    123  ASP  HB+       2.8   (#  2581:20  Unique)
 &rst
  ixpk= 2581, nxpk= 20, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1869,1870,
 &end
#
#    14  ILE  HA     14  ILE  HB        4.5   (#  2582:20  Unique)
 &rst
  ixpk= 2582, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    14  ILE  HA     14  ILE  HB        4.5   (#  2583:20  Unique)
 &rst
  ixpk= 2583, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    24  LEU  HA     25  ILE  HB        5.5   (#  2586:20  Unique)
 &rst
  ixpk= 2586, nxpk= 20, iat= 348, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   123  ASP  HN    123  ASP  HB+       3.5   (#  2587:20  Unique)
 &rst
  ixpk= 2587, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1869,1870,
 &end
#
#   124  GLY  HN    123  ASP  HB+       2.8   (#  2589:20  Unique)
 &rst
  ixpk= 2589, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1869,1870,
 &end
#
#    76  GLY  HN     75  GLY  HA+       4.5   (#  2590:20  Unique)
 &rst
  ixpk= 2590, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#   121  ALA  MB    123  ASP  HB+       3.5   (#  2591:20  Unique)
 &rst
  ixpk= 2591, 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
#
#   100  ALA  HA     75  GLY  HA-       4.5   (#  2592:20  Unique)
 &rst
  ixpk= 2592, 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-       4.5   (#  2593:20  Unique)
 &rst
  ixpk= 2593, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#    75  GLY  HN     75  GLY  HA+       3.5   (#  2597:20  Unique)
 &rst
  ixpk= 2597, nxpk= 20, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1124,1125,
 &end
#
#    75  GLY  HN     75  GLY  HA-       4.5   (#  2598:20  Unique)
 &rst
  ixpk= 2598, nxpk= 20, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#   100  ALA  MB     75  GLY  HA+       3.5   (#  2599:20  Unique)
 &rst
  ixpk= 2599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1500,1501,1502,
 igr2=1124,1125,
 &end
#
#    76  GLY  HN     75  GLY  HA+       4.5   (#  2600:20  Unique)
 &rst
  ixpk= 2600, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#    76  GLY  HN     75  GLY  HA-       4.5   (#  2602:20  Unique)
 &rst
  ixpk= 2602, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#   100  ALA  MB     75  GLY  HA-       5.5   (#  2603:20  Unique)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1500,1501,1502,
 igr2=1124,1125,
 &end
#
#    97  TYR  HB-    75  GLY  HA-       5.5   (#  2604:20  Unique)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#    25  ILE  HA     25  ILE  HB        4.5   (#  2605:20  Unique)
 &rst
  ixpk= 2605, nxpk= 20, iat= 367, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HB+    75  GLY  HA-       3.5   (#  2606:20  Unique)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#   100  ALA  HA     75  GLY  HA+       3.5   (#  2607:20  Unique)
 &rst
  ixpk= 2607, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1124,1125,
 &end
#
#    43  ILE  HG1+   25  ILE  HB        3.5   (#  2608:20  Unique)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    14  ILE  HG1-   14  ILE  HB        4.5   (#  2609:20  Unique)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 200, 201,
 &end
#
#   100  ALA  HA     75  GLY  HA-       5.5   (#  2610:20  Unique)
 &rst
  ixpk= 2610, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
#   100  ALA  HN     75  GLY  HA+       5.5   (#  2612:20  Unique)
 &rst
  ixpk= 2612, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
#    43  ILE  HG1-   25  ILE  HB        3.5   (#  2613:20  Unique)
 &rst
  ixpk= 2613, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    43  ILE  QD1    25  ILE  HB        3.5   (#  2614:20  Unique)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 638, 639, 640,
 &end
#
#    25  ILE  HN     25  ILE  HB        3.5   (#  2615:20  Unique)
 &rst
  ixpk= 2615, nxpk= 20, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:2616  25  ILE  HB        2.8   (#  2616:20  Single)
 &rst
  ixpk= 2616, 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  20-2:2617  25  ILE  HB        5.5   (#  2617:20  Single)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 629, 614, 615, 974, 975, 976,
 &end
#
#    43  ILE  HN     25  ILE  HB        4.5   (#  2619:20  Unique)
 &rst
  ixpk= 2619, nxpk= 20, iat= 625, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2620   0  AMB  20-1:2620     4.5   (#  2620:20  Double)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 480, 481, 388,   8,   9,
 igr2= 486, 487, 394, 395, 486, 487,
 &end
#
#   100  ALA  HA     75  GLY  HA-       5.5   (#  2622:20  Unique)
 &rst
  ixpk= 2622, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
#    26  ARG  HG+    26  ARG  HD+       4.5   (#  2624:20  Unique)
 &rst
  ixpk= 2624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#     0  AMB  20-2:2627   0  AMB  20-1:2627     4.5   (#  2627:20  Double)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 480, 481, 389,
 igr2= 486, 487, 394, 395,
 &end
#
#    26  ARG  HG-    26  ARG  HD+       3.5   (#  2628:20  Unique)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#    32  ARG  HG+    32  ARG  HD+       3.5   (#  2630:20  Unique)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 483, 484,
 igr2= 486, 487,
 &end
#
#    28  HIS  HE1    26  ARG  HD+       4.5   (#  2632:20  Unique)
 &rst
  ixpk= 2632, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 394, 395,
 &end
#
#    26  ARG  HE     26  ARG  HD+       4.5   (#  2638:20  Unique)
 &rst
  ixpk= 2638, nxpk= 20, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 394, 395,
 &end
#
#    28  HIS  HD2    70  ASP  HB-       5.5   (#  2643:20  Unique)
 &rst
  ixpk= 2643, nxpk= 20, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    70  ASP  HA     70  ASP  HB+       2.8   (#  2645:20  Unique)
 &rst
  ixpk= 2645, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1058,1059,
 &end
#
#    71  CYS  HN     70  ASP  HB+       4.5   (#  2650:20  Unique)
 &rst
  ixpk= 2650, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#    28  HIS  HN     70  ASP  HB-       5.5   (#  2652:20  Unique)
 &rst
  ixpk= 2652, nxpk= 20, iat= 424,  -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   (#  2656:20  Unique)
 &rst
  ixpk= 2656, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    28  HIS  HD2    70  ASP  HB+       4.5   (#  2662:20  Unique)
 &rst
  ixpk= 2662, nxpk= 20, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#    45  ARG  HE     45  ARG  HD+       4.5   (#  2665:20  Unique)
 &rst
  ixpk= 2665, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#    47  TYR  HE     45  ARG  HD-       5.5   (#  2667:20  Unique)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 701, 706,
 igr2= 670, 671,
 &end
#
#    28  HIS  HB2    70  ASP  HB-       4.5   (#  2668:20  Unique)
 &rst
  ixpk= 2668, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#    70  ASP  HN     70  ASP  HB+       4.5   (#  2669:20  Unique)
 &rst
  ixpk= 2669, nxpk= 20, iat=1054,  -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   (#  2670:20  Unique)
 &rst
  ixpk= 2670, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#    70  ASP  HN     70  ASP  HB-       3.5   (#  2671:20  Unique)
 &rst
  ixpk= 2671, nxpk= 20, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    31  PRO  HA     70  ASP  HB+       7.0   (#  2672:20  Unique)
 &rst
  ixpk= 2672, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1058,1059,
 &end
#
#    70  ASP  HA     70  ASP  HB-       3.5   (#  2673:20  Unique)
 &rst
  ixpk= 2673, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#    13  ASP  HB2    45  ARG  HD-       5.5   (#  2674:20  Unique)
 &rst
  ixpk= 2674, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#    45  ARG  HA     45  ARG  HD-       4.5   (#  2682:20  Unique)
 &rst
  ixpk= 2682, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#    45  ARG  HA     45  ARG  HD+       4.5   (#  2683:20  Unique)
 &rst
  ixpk= 2683, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#    45  ARG  HG+    45  ARG  HD-       5.5   (#  2685:20  Unique)
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 667, 668,
 igr2= 670, 671,
 &end
#
#    13  ASP  HB3    45  ARG  HD-       4.5   (#  2686:20  Unique)
 &rst
  ixpk= 2686, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#    45  ARG  HB3    45  ARG  HD+       4.5   (#  2689:20  Unique)
 &rst
  ixpk= 2689, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#    13  ASP  HB3    45  ARG  HD+       4.5   (#  2690:20  Unique)
 &rst
  ixpk= 2690, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#     0  AMB  20-2:2691  45  ARG  HD-       5.5   (#  2691:20  Single)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 667, 668, 665,
 igr2= 670, 671,
 &end
#
#    71  CYS  HN     70  ASP  HB-       5.5   (#  2693:20  Unique)
 &rst
  ixpk= 2693, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    13  ASP  HN     45  ARG  HD-       5.5   (#  2694:20  Unique)
 &rst
  ixpk= 2694, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#    45  ARG  HB3    45  ARG  HD-       4.5   (#  2695:20  Unique)
 &rst
  ixpk= 2695, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#    13  ASP  HB2    45  ARG  HD+       5.5   (#  2696:20  Unique)
 &rst
  ixpk= 2696, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#    45  ARG  HE     45  ARG  HD-       5.5   (#  2697:20  Unique)
 &rst
  ixpk= 2697, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#    45  ARG  HE     45  ARG  HD-       5.5   (#  2698:20  Unique)
 &rst
  ixpk= 2698, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#    99  PRO  HD-    98  GLY  HA-       3.5   (#  2708:20  Unique)
 &rst
  ixpk= 2708, 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   (#  2709:20  Unique)
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#    98  GLY  HN     98  GLY  HA-       4.5   (#  2711:20  Unique)
 &rst
  ixpk= 2711, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1477,1478,
 &end
#
#    99  PRO  HD-    98  GLY  HA+       3.5   (#  2714:20  Unique)
 &rst
  ixpk= 2714, 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   (#  2717:20  Unique)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#    98  GLY  HN     98  GLY  HA+       4.5   (#  2718:20  Unique)
 &rst
  ixpk= 2718, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1477,1478,
 &end
#
#    94  SER  HB-    76  GLY  HA-       4.5   (#  2720:20  Unique)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1420,1421,
 igr2=1131,1132,
 &end
#
#    94  SER  HB-    76  GLY  HA+       5.5   (#  2721:20  Unique)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1420,1421,
 igr2=1131,1132,
 &end
#
#    23  VAL  HA     76  GLY  HA+       3.5   (#  2726:20  Unique)
 &rst
  ixpk= 2726, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1131,1132,
 &end
#
#    22  TYR  HD     22  TYR  HB+       5.5   (#  2727:20  Unique)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 313, 314,
 &end
#
#   100  ALA  MB     76  GLY  HA+       5.5   (#  2728:20  Unique)
 &rst
  ixpk= 2728, 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
#
#    79  ILE  QD1    22  TYR  HB+       4.5   (#  2729:20  Unique)
 &rst
  ixpk= 2729, 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
#
#     0  AMB  20-2:2730   0  AMB  20-1:2730     3.5   (#  2730:20  Double)
 &rst
  ixpk= 2730, 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
#
#   100  ALA  MB     76  GLY  HA-       5.5   (#  2731:20  Unique)
 &rst
  ixpk= 2731, 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  HA     76  GLY  HA-       3.5   (#  2732:20  Unique)
 &rst
  ixpk= 2732, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1131,1132,
 &end
#
#    24  LEU  HN     76  GLY  HA-       5.5   (#  2737:20  Unique)
 &rst
  ixpk= 2737, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1132,
 &end
#
#     0  AMB  20-2:2738  76  GLY  HA-       4.5   (#  2738:20  Single)
 &rst
  ixpk= 2738, nxpk= 20, 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=1131,1132,
 &end
#
#    77  GLY  HN     76  GLY  HA+       4.5   (#  2740:20  Unique)
 &rst
  ixpk= 2740, nxpk= 20, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#    76  GLY  HN     76  GLY  HA+       4.5   (#  2742:20  Unique)
 &rst
  ixpk= 2742, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#    77  GLY  HN     76  GLY  HA+       4.5   (#  2743:20  Unique)
 &rst
  ixpk= 2743, nxpk= 20, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#    22  TYR  HA     22  TYR  HB+       3.5   (#  2746:20  Unique)
 &rst
  ixpk= 2746, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 313, 314,
 &end
#
#    24  LEU  HN     76  GLY  HA+       5.5   (#  2747:20  Unique)
 &rst
  ixpk= 2747, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1132,
 &end
#
#    22  TYR  HE     76  GLY  HA-       4.5   (#  2749:20  Unique)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 324,
 igr2=1131,1132,
 &end
#
#    22  TYR  HA     22  TYR  HB-       3.5   (#  2751:20  Unique)
 &rst
  ixpk= 2751, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 313, 314,
 &end
#
#    23  VAL  HN     22  TYR  HB-       5.5   (#  2752:20  Unique)
 &rst
  ixpk= 2752, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 313, 314,
 &end
#
#    77  GLY  HN     76  GLY  HA-       4.5   (#  2753:20  Unique)
 &rst
  ixpk= 2753, nxpk= 20, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#    23  VAL  HN     22  TYR  HB+       4.5   (#  2754:20  Unique)
 &rst
  ixpk= 2754, nxpk= 20, iat= 330,  -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   (#  2755:20  Unique)
 &rst
  ixpk= 2755, 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
#
#   102  HIS  HD2    24  LEU  HB-       5.5   (#  2756:20  Unique)
 &rst
  ixpk= 2756, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#    79  ILE  HG1-   22  TYR  HB-       5.5   (#  2757:20  Unique)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1177,1178,
 igr2= 313, 314,
 &end
#
#    79  ILE  QD1    22  TYR  HB-       4.5   (#  2758:20  Unique)
 &rst
  ixpk= 2758, 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
#
#    76  GLY  HN     76  GLY  HA-       5.5   (#  2759:20  Unique)
 &rst
  ixpk= 2759, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1132,
 &end
#
#     0  AMB  20-2:2760   0  AMB  20-1:2760     5.5   (#  2760:20  Double)
 &rst
  ixpk= 2760, 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
#
#    23  VAL  HN     22  TYR  HB-       5.5   (#  2761:20  Unique)
 &rst
  ixpk= 2761, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 313, 314,
 &end
#
#    79  ILE  HG1+   22  TYR  HB-       5.5   (#  2762:20  Unique)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1177,1178,
 igr2= 313, 314,
 &end
#
#    22  TYR  HD     22  TYR  HB+       5.5   (#  2763:20  Unique)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 313, 314,
 &end
#
#    24  LEU  HA     24  LEU  HB-       4.5   (#  2765:20  Unique)
 &rst
  ixpk= 2765, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 350, 351,
 &end
#
#    24  LEU  HN     24  LEU  HB+       3.5   (#  2766:20  Unique)
 &rst
  ixpk= 2766, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 350, 351,
 &end
#
#   102  HIS  HD2    24  LEU  HB+       5.5   (#  2767:20  Unique)
 &rst
  ixpk= 2767, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#    46  GLY  HA-    22  TYR  HB+       5.5   (#  2768:20  Unique)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#    24  LEU  HN     24  LEU  HB-       4.5   (#  2769:20  Unique)
 &rst
  ixpk= 2769, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 350, 351,
 &end
#
#    24  LEU  HG     24  LEU  HB-       3.5   (#  2771:20  Unique)
 &rst
  ixpk= 2771, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 350, 351,
 &end
#
#     0  AMB  20-2:2774  24  LEU  HB-       2.8   (#  2774:20  Single)
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 igr2= 350, 351,
 &end
#
#     0  AMB  20-2:2776   0  AMB  20-1:2776     2.8   (#  2776:20  Double)
 &rst
  ixpk= 2776, 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
#
#   102  HIS  HD2    24  LEU  HB-       5.5   (#  2777:20  Unique)
 &rst
  ixpk= 2777, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#    24  LEU  HA     24  LEU  HB+       4.5   (#  2779:20  Unique)
 &rst
  ixpk= 2779, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 350, 351,
 &end
#
#     0  AMB  20-2:2780   0  AMB  20-1:2780     3.5   (#  2780:20  Double)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1107, 353,
 igr2= 350, 351, 350, 351,
 &end
#
#    35  ALA  HN     34  GLY  HA-       5.5   (#  2782:20  Unique)
 &rst
  ixpk= 2782, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 514,
 &end
#
#    35  ALA  HN     34  GLY  HA+       5.5   (#  2789:20  Unique)
 &rst
  ixpk= 2789, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 514,
 &end
#
#    35  ALA  HN     34  GLY  HA+       5.5   (#  2790:20  Unique)
 &rst
  ixpk= 2790, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 514,
 &end
#
#   122  ASN  HD2-  124  GLY  HA+       5.5   (#  2792:20  Unique)
 &rst
  ixpk= 2792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1860,1861,
 igr2=1879,1880,
 &end
#
#    91  TYR  HD    124  GLY  HA-       5.5   (#  2793:20  Unique)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1375,1384,
 igr2=1879,1880,
 &end
#
#    91  TYR  HD    124  GLY  HA+       4.5   (#  2796:20  Unique)
 &rst
  ixpk= 2796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1375,1384,
 igr2=1879,1880,
 &end
#
#   124  GLY  HN    124  GLY  HA-       2.8   (#  2798:20  Unique)
 &rst
  ixpk= 2798, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1879,1880,
 &end
#
#   124  GLY  HN    124  GLY  HA+       4.5   (#  2800:20  Unique)
 &rst
  ixpk= 2800, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1879,1880,
 &end
#
#   125  TYR  HN    124  GLY  HA-       3.5   (#  2801:20  Unique)
 &rst
  ixpk= 2801, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1879,1880,
 &end
#
#   125  TYR  HN    124  GLY  HA+       4.5   (#  2804:20  Unique)
 &rst
  ixpk= 2804, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1879,1880,
 &end
#
#    30  ALA  MB     68  GLY  HA-       5.5   (#  2805:20  Unique)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 457, 458,
 igr2=1038,1039,
 &end
#
#    92  GLY  HA-    77  GLY  HA+       3.5   (#  2806:20  Unique)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1390,1391,
 igr2=1138,1139,
 &end
#
#    93  TYR  HN     92  GLY  HA+       3.5   (#  2809:20  Unique)
 &rst
  ixpk= 2809, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#     0  AMB  20-2:2811   0  AMB  20-1:2811     4.5   (#  2811:20  Double)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 457, 458, 297, 298,
 igr2=1038,1039,1138,1139,
 &end
#
#    92  GLY  HN     92  GLY  HA-       4.5   (#  2812:20  Unique)
 &rst
  ixpk= 2812, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1390,1391,
 &end
#
#    91  TYR  HD     92  GLY  HA-       5.5   (#  2816:20  Unique)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1375,1384,
 igr2=1390,1391,
 &end
#
#    68  GLY  HN     68  GLY  HA+       3.5   (#  2817:20  Unique)
 &rst
  ixpk= 2817, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1038,1039,
 &end
#
#    92  GLY  HN     92  GLY  HA+       3.5   (#  2819:20  Unique)
 &rst
  ixpk= 2819, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#    91  TYR  HD     92  GLY  HA+       5.5   (#  2820:20  Unique)
 &rst
  ixpk= 2820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1375,1384,
 igr2=1390,1391,
 &end
#
#    92  GLY  HN     92  GLY  HA-       4.5   (#  2821:20  Unique)
 &rst
  ixpk= 2821, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1390,1391,
 &end
#
#   102  HIS  HD2    77  GLY  HA-       5.5   (#  2823:20  Unique)
 &rst
  ixpk= 2823, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1138,1139,
 &end
#
#    91  TYR  HD     92  GLY  HA-       5.5   (#  2824:20  Unique)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1375,1384,
 igr2=1390,1391,
 &end
#
#    68  GLY  HN     68  GLY  HA-       2.8   (#  2825:20  Unique)
 &rst
  ixpk= 2825, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1038,1039,
 &end
#
#    93  TYR  HN     77  GLY  HA-       5.5   (#  2826:20  Unique)
 &rst
  ixpk= 2826, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1138,1139,
 &end
#
#    93  TYR  HN     92  GLY  HA-       3.5   (#  2827:20  Unique)
 &rst
  ixpk= 2827, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#    93  TYR  HN     77  GLY  HA-       5.5   (#  2828:20  Unique)
 &rst
  ixpk= 2828, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1138,1139,
 &end
#
#    78  ARG  HN     92  GLY  HA-       5.5   (#  2829:20  Unique)
 &rst
  ixpk= 2829, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1390,1391,
 &end
#
#    67  GLN  HN     68  GLY  HA+       5.5   (#  2830:20  Unique)
 &rst
  ixpk= 2830, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    67  GLN  HN     68  GLY  HA-       5.5   (#  2831:20  Unique)
 &rst
  ixpk= 2831, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#     0  AMB  20-2:2833   0  AMB  20-1:2833     3.5   (#  2833:20  Double)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 319, 324,1533,
 igr2=1138,1139,1138,1139,
 &end
#
#     0  AMB  20-2:2834  77  GLY  HA-       3.5   (#  2834:20  Single)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 319, 324,1533,
 igr2=1138,1139,
 &end
#
#    78  ARG  HN     77  GLY  HA-       3.5   (#  2835:20  Unique)
 &rst
  ixpk= 2835, 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   (#  2836:20  Unique)
 &rst
  ixpk= 2836, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1138,1139,
 &end
#
#    65  GLN  HB2    62  GLY  HA-       4.5   (#  2837:20  Unique)
 &rst
  ixpk= 2837, nxpk= 20, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 946, 947,
 &end
#
#    65  GLN  HB3    62  GLY  HA-       5.5   (#  2838:20  Unique)
 &rst
  ixpk= 2838, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 946, 947,
 &end
#
#    65  GLN  HB2    62  GLY  HA+       4.5   (#  2839:20  Unique)
 &rst
  ixpk= 2839, 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   (#  2841:20  Unique)
 &rst
  ixpk= 2841, 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   (#  2845:20  Unique)
 &rst
  ixpk= 2845, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 946, 947,
 &end
#
#    63  ASP  HN     62  GLY  HA+       3.5   (#  2846:20  Unique)
 &rst
  ixpk= 2846, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 946, 947,
 &end
#
#    63  ASP  HN     62  GLY  HA-       3.5   (#  2847:20  Unique)
 &rst
  ixpk= 2847, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 946, 947,
 &end
#
#    22  TYR  HD     46  GLY  HA-       5.5   (#  2848:20  Unique)
 &rst
  ixpk= 2848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 686, 687,
 &end
#
#    46  GLY  HN     46  GLY  HA-       5.5   (#  2849:20  Unique)
 &rst
  ixpk= 2849, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 686, 687,
 &end
#
#     0  AMB  20-2:2850  46  GLY  HA-       4.5   (#  2850:20  Single)
 &rst
  ixpk= 2850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 691, 275, 283,
 igr2= 686, 687,
 &end
#
#     0  AMB  20-2:2851  46  GLY  HA-       4.5   (#  2851:20  Single)
 &rst
  ixpk= 2851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 686, 687,
 &end
#
#    56  ILE  QD1    46  GLY  HA-       3.5   (#  2852:20  Unique)
 &rst
  ixpk= 2852, 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
#
#     0  AMB  20-2:2853   0  AMB  20-1:2853     3.5   (#  2853:20  Double)
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 691, 275, 283,
 igr2= 686, 687, 686, 687,
 &end
#
#    22  TYR  HA     46  GLY  HA-       3.5   (#  2855:20  Unique)
 &rst
  ixpk= 2855, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 686, 687,
 &end
#
#    22  TYR  HA     46  GLY  HA+       3.5   (#  2857:20  Unique)
 &rst
  ixpk= 2857, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 686, 687,
 &end
#
#    22  TYR  HB+    46  GLY  HA+       5.5   (#  2858:20  Unique)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 313, 314,
 igr2= 686, 687,
 &end
#
#    14  ILE  QG2    46  GLY  HA-       4.5   (#  2859:20  Unique)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 196, 197, 198,
 igr2= 686, 687,
 &end
#
#    56  ILE  QD1    46  GLY  HA+       3.5   (#  2860:20  Unique)
 &rst
  ixpk= 2860, 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
#
#    22  TYR  HB+    46  GLY  HA-       5.5   (#  2862:20  Unique)
 &rst
  ixpk= 2862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 313, 314,
 igr2= 686, 687,
 &end
#
#    14  ILE  QG2    46  GLY  HA+       5.5   (#  2864:20  Unique)
 &rst
  ixpk= 2864, 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
#
#     0  AMB  20-2:2866   0  AMB  20-1:2866     3.5   (#  2866:20  Double)
 &rst
  ixpk= 2866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 313, 314,1486,1487,
 igr2= 686, 687,1483,1484,
 &end
#
#    99  PRO  HB+    99  PRO  HD+       5.5   (#  2869:20  Unique)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,
 igr2=1483,1484,
 &end
#
#    98  GLY  HA+    99  PRO  HD+       3.5   (#  2870:20  Unique)
 &rst
  ixpk= 2870, 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-       3.5   (#  2872:20  Unique)
 &rst
  ixpk= 2872, 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   (#  2873:20  Unique)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#    99  PRO  HG+    99  PRO  HD+       3.5   (#  2874:20  Unique)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#    99  PRO  HG-    99  PRO  HD+       3.5   (#  2875:20  Unique)
 &rst
  ixpk= 2875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#    98  GLY  HA-    99  PRO  HD+       3.5   (#  2876:20  Unique)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#    35  ALA  HN     36  PRO  HD+       5.5   (#  2896:20  Unique)
 &rst
  ixpk= 2896, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 529, 530,
 &end
#
#    35  ALA  HA     36  PRO  HD+       2.8   (#  2899:20  Unique)
 &rst
  ixpk= 2899, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 529, 530,
 &end
#
#    37  ALA  HN      0  AMB  20-1:2900     5.5   (#  2900:20  Single)
 &rst
  ixpk= 2900, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 529, 530, 463, 464,
 &end
#
#     0  AMB  20-2:2901  35  ALA  HA        4.5   (#  2901:20  Single)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 532, 533, 466, 467,
 &end
#
#     0  AMB  20-2:2902   0  AMB  20-1:2902     2.8   (#  2902:20  Double)
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 466, 467, 532, 533,
 igr2= 463, 464, 529, 530,
 &end
#
#     0  AMB  20-2:2904   0  AMB  20-1:2904     2.8   (#  2904:20  Double)
 &rst
  ixpk= 2904, 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
#
#     0  AMB  20-2:2906   0  AMB  20-1:2906     2.8   (#  2906:20  Double)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 466, 467, 532, 533,
 igr2= 463, 464, 529, 530,
 &end
#
#    33  SER  HA     30  ALA  HA        4.5   (#  2907:20  Unique)
 &rst
  ixpk= 2907, nxpk= 20, iat= 502, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    35  ALA  HN     35  ALA  HA        4.5   (#  2910:20  Unique)
 &rst
  ixpk= 2910, nxpk= 20, iat= 518, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    36  PRO  HD+    35  ALA  HA        2.8   (#  2912:20  Unique)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 529, 530,
 &end
#
#     0  AMB  20-2:2913   0  AMB  20-1:2913     4.5   (#  2913:20  Double)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 472, 538,
 igr2= 463, 464, 529, 530,
 &end
#
#     0  AMB  20-2:2914   0  AMB  20-1:2914     4.5   (#  2914:20  Double)
 &rst
  ixpk= 2914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 472, 538,
 igr2= 463, 464, 529, 530,
 &end
#
#     0  AMB  20-2:2916   0  AMB  20-1:2916     4.5   (#  2916:20  Double)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 469, 470, 535, 536,
 igr2= 463, 464, 529, 530,
 &end
#
#     0  AMB  20-2:2917  30  ALA  HA        5.5   (#  2917:20  Single)
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 504, 505, 513, 514,
 &end
#
#     0  AMB  20-2:2919   0  AMB  20-1:2919     3.5   (#  2919:20  Double)
 &rst
  ixpk= 2919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 469, 470, 535, 536,
 igr2= 463, 464, 529, 530,
 &end
#
#    35  ALA  MB      0  AMB  20-1:2921     2.8   (#  2921:20  Single)
 &rst
  ixpk= 2921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 522, 523, 524,
 igr2= 463, 464, 529, 530,
 &end
#
#   100  ALA  MB    100  ALA  HA        2.8   (#  2922:20  Unique)
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1500,1501,1502,
 &end
#
#   101  GLN  HN    100  ALA  HA        2.8   (#  2923:20  Unique)
 &rst
  ixpk= 2923, nxpk= 20, iat=1506,1498, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    75  GLY  HA+   100  ALA  HA        3.5   (#  2925:20  Unique)
 &rst
  ixpk= 2925, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1125,
 &end
#
#    75  GLY  HA-   100  ALA  HA        4.5   (#  2928:20  Unique)
 &rst
  ixpk= 2928, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,
 &end
#
#     0  AMB  20-2:2930   0  AMB  20-1:2930     3.5   (#  2930:20  Double)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 466, 467, 532, 533,
 igr2= 463, 464, 529, 530,
 &end
#
#   100  ALA  HN    100  ALA  HA        4.5   (#  2931:20  Unique)
 &rst
  ixpk= 2931, nxpk= 20, iat=1496,1498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:2934   0  AMB  20-1:2934     5.5   (#  2934:20  Double)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 469, 470, 535, 536,
 igr2= 463, 464, 529, 530,
 &end
#
#     0  AMB  20-2:2939   0  AMB  20-1:2939     2.8   (#  2939:20  Double)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 529, 530, 463, 464,
 igr2= 520, 454,
 &end
#
#    31  PRO  HD+    30  ALA  HA        3.5   (#  2940:20  Unique)
 &rst
  ixpk= 2940, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 463, 464,
 &end
#
#     0  AMB  20-2:2941  35  ALA  HA        5.5   (#  2941:20  Single)
 &rst
  ixpk= 2941, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 513, 514, 445, 446,
 &end
#
#     0  AMB  20-2:2946   0  AMB  20-1:2946     2.8   (#  2946:20  Double)
 &rst
  ixpk= 2946, 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
#
#    35  ALA  MB     35  ALA  HA        2.8   (#  2951:20  Unique)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 522, 523, 524,
 &end
#
#     0  AMB  20-2:2952  30  ALA  HA        2.8   (#  2952:20  Single)
 &rst
  ixpk= 2952, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 456, 457, 458, 522, 523, 524,
 &end
#
#     0  AMB  20-2:2955   0  AMB  20-1:2955     2.8   (#  2955:20  Double)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 466, 467, 532, 533,
 igr2= 463, 464, 529, 530,
 &end
#
#    35  ALA  MB      0  AMB  20-1:2956     3.5   (#  2956:20  Single)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 522, 523, 524,
 igr2= 463, 464, 529, 530,
 &end
#
#     0  AMB  20-2:2959   0  AMB  20-1:2959     5.5   (#  2959:20  Double)
 &rst
  ixpk= 2959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 469, 470, 535, 536,
 igr2= 463, 464, 529, 530,
 &end
#
#    36  PRO  HD-    35  ALA  HA        2.8   (#  2960:20  Unique)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 529, 530,
 &end
#
#    10  PRO  HB-    10  PRO  HD+       5.5   (#  2961:20  Unique)
 &rst
  ixpk= 2961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#    10  PRO  HA     10  PRO  HD+       5.5   (#  2963:20  Unique)
 &rst
  ixpk= 2963, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 137, 138,
 &end
#
#     0  AMB  20-2:2964  10  PRO  HD-       5.5   (#  2964:20  Single)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 117,  98,
 igr2= 137, 138,
 &end
#
#     9  ILE  QG2    10  PRO  HD-       3.5   (#  2965:20  Unique)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 124, 125,
 igr2= 137, 138,
 &end
#
#    10  PRO  HG+    10  PRO  HD+       2.8   (#  2966:20  Unique)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 140, 141,
 igr2= 137, 138,
 &end
#
#     0  AMB  20-2:2968   0  AMB  20-1:2968     5.5   (#  2968:20  Double)
 &rst
  ixpk= 2968, 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
#
#    10  PRO  HB+    10  PRO  HD+       4.5   (#  2969:20  Unique)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#    10  PRO  HG+    10  PRO  HD-       2.8   (#  2973:20  Unique)
 &rst
  ixpk= 2973, 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   (#  2974:20  Unique)
 &rst
  ixpk= 2974, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 137, 138,
 &end
#
#    10  PRO  HB-    10  PRO  HD+       5.5   (#  2975:20  Unique)
 &rst
  ixpk= 2975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#     9  ILE  HA     10  PRO  HD+       2.8   (#  2976:20  Unique)
 &rst
  ixpk= 2976, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 137, 138,
 &end
#
#     9  ILE  QG2    10  PRO  HD+       3.5   (#  2978:20  Unique)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 124, 125,
 igr2= 137, 138,
 &end
#
#    10  PRO  HA     10  PRO  HD-       5.5   (#  2979:20  Unique)
 &rst
  ixpk= 2979, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 137, 138,
 &end
#
#    10  PRO  HB+    10  PRO  HD-       5.5   (#  2981:20  Unique)
 &rst
  ixpk= 2981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#    10  PRO  HB-    10  PRO  HD-       5.5   (#  2983:20  Unique)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 137, 138,
 &end
#
#   120  TRP  HD1   121  ALA  HA        7.0   (#  2993:20  Unique)
 &rst
  ixpk= 2993, nxpk= 20, iat=1825,1843, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   121  ALA  MB    121  ALA  HA        2.8   (#  2997:20  Unique)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1845,1846,1847,
 &end
#
#     0  AMB  20-2:2998 121  ALA  HA        4.5   (#  2998:20  Single)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1834,1344,1832,
 &end
#
#     0  AMB  20-2:2999 121  ALA  HA        2.8   (#  2999:20  Single)
 &rst
  ixpk= 2999, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1851,1841,
 &end
#
#     0  AMB  20-2:3000 121  ALA  HA        5.5   (#  3000:20  Single)
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1855,1856,1371,1372,
 &end
#
#     2  ALA  HN      2  ALA  HA        3.5   (#  3001:20  Unique)
 &rst
  ixpk= 3001, nxpk= 20, iat=  21,  23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    37  ALA  MB     37  ALA  HA        2.8   (#  3002:20  Unique)
 &rst
  ixpk= 3002, nxpk= 20, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 546, 547, 548,
 &end
#
#     0  AMB  20-2:3006   0  AMB  20-1:3006     5.5   (#  3006:20  Double)
 &rst
  ixpk= 3006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 569, 570, 569, 570, 535, 536,
 igr2= 544, 554,
 &end
#
#     0  AMB  20-2:3008   0  AMB  20-1:3008     4.5   (#  3008:20  Double)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   8,   9,  35, 566, 567,
 igr2=  23, 554,
 &end
#
#     3  VAL  HN      2  ALA  HA        2.8   (#  3009:20  Unique)
 &rst
  ixpk= 3009, nxpk= 20, iat=  31,  23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3011   0  AMB  20-1:3011     5.5   (#  3011:20  Double)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=   8,   9, 566, 567, 480, 481,
 igr2=  23, 554,
 &end
#
#    31  PRO  HD+    38  ALA  HA        7.0   (#  3012:20  Unique)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#     0  AMB  20-2:3013   2  ALA  HA        3.5   (#  3013:20  Single)
 &rst
  ixpk= 3013, nxpk= 20, iat=  -1,  23, 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
#
#    55  ASP  HB2    50  ALA  HA        4.5   (#  3015:20  Unique)
 &rst
  ixpk= 3015, nxpk= 20, iat= 835, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    49  TRP  HE3    50  ALA  HA        3.5   (#  3017:20  Unique)
 &rst
  ixpk= 3017, nxpk= 20, iat= 753, 760, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3018  50  ALA  HA        4.5   (#  3018:20  Single)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 751, 793, 798,
 &end
#
#    55  ASP  HB3    50  ALA  HA        4.5   (#  3019:20  Unique)
 &rst
  ixpk= 3019, nxpk= 20, iat= 836, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3020  50  ALA  HA        4.5   (#  3020:20  Single)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 772, 773,
 &end
#
#    51  GLU  HN     50  ALA  HA        2.8   (#  3021:20  Unique)
 &rst
  ixpk= 3021, nxpk= 20, iat= 768, 760, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    50  ALA  MB     50  ALA  HA        2.8   (#  3022:20  Unique)
 &rst
  ixpk= 3022, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 762, 763, 764,
 &end
#
#     0  AMB  20-2:3023  38  ALA  HA        2.8   (#  3023:20  Single)
 &rst
  ixpk= 3023, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 552, 562,
 &end
#
#    52  TYR  HN     50  ALA  HA        4.5   (#  3024:20  Unique)
 &rst
  ixpk= 3024, nxpk= 20, iat= 783, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    51  GLU  HA     50  ALA  HA        5.5   (#  3025:20  Unique)
 &rst
  ixpk= 3025, nxpk= 20, iat= 770, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    38  ALA  MB     38  ALA  HA        2.8   (#  3026:20  Unique)
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 556, 557, 558,
 &end
#
#    45  ARG  HB3    45  ARG  HA        4.5   (#  3029:20  Unique)
 &rst
  ixpk= 3029, nxpk= 20, iat= 665, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    50  ALA  HN     50  ALA  HA        3.5   (#  3030:20  Unique)
 &rst
  ixpk= 3030, nxpk= 20, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    45  ARG  HD-    45  ARG  HA        4.5   (#  3031:20  Unique)
 &rst
  ixpk= 3031, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#    45  ARG  HN     45  ARG  HA        4.5   (#  3032:20  Unique)
 &rst
  ixpk= 3032, nxpk= 20, iat= 660, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    46  GLY  HN     45  ARG  HA        3.5   (#  3033:20  Unique)
 &rst
  ixpk= 3033, nxpk= 20, iat= 684, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3034  50  ALA  HA        4.5   (#  3034:20  Single)
 &rst
  ixpk= 3034, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 772, 773,
 &end
#
#     5  ASP  HB+     4  ALA  HA        4.5   (#  3036:20  Unique)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    45  ARG  HD+    45  ARG  HA        3.5   (#  3037:20  Unique)
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 670, 671,
 &end
#
#    45  ARG  HG+    45  ARG  HA        5.5   (#  3038:20  Unique)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#    45  ARG  HB2    45  ARG  HA        5.5   (#  3039:20  Unique)
 &rst
  ixpk= 3039, nxpk= 20, iat= 664, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    14  ILE  QG2    45  ARG  HA        4.5   (#  3040:20  Unique)
 &rst
  ixpk= 3040, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 196, 197, 198,
 &end
#
#    13  ASP  HN     45  ARG  HA        4.5   (#  3041:20  Unique)
 &rst
  ixpk= 3041, nxpk= 20, iat= 178, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3042   4  ALA  HA        4.5   (#  3042:20  Single)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 107, 108, 109, 111, 112, 113,  37,  38,  39,  41,
        42,  43,
 &end
#
#     5  ASP  HN      4  ALA  HA        2.8   (#  3045:20  Unique)
 &rst
  ixpk= 3045, nxpk= 20, iat=  57,  49, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     4  ALA  MB      4  ALA  HA        2.8   (#  3046:20  Unique)
 &rst
  ixpk= 3046, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#     5  ASP  HB-     4  ALA  HA        5.5   (#  3047:20  Unique)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#     4  ALA  HN      4  ALA  HA        3.5   (#  3048:20  Unique)
 &rst
  ixpk= 3048, nxpk= 20, iat=  47,  49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3049 122  ASN  HA        4.5   (#  3049:20  Single)
 &rst
  ixpk= 3049, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1851,1841,
 &end
#
#   123  ASP  HN    122  ASN  HA        3.5   (#  3050:20  Unique)
 &rst
  ixpk= 3050, nxpk= 20, iat=1865,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   122  ASN  HA    120  TRP  HE3        3.5   (#  3051:20)
 &rst
  ixpk= 3051, nxpk= 20, iat=1853,1836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   122  ASN  HB-   122  ASN  HA        3.5   (#  3052:20  Unique)
 &rst
  ixpk= 3052, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#   121  ALA  MB    122  ASN  HA        5.5   (#  3054:20  Unique)
 &rst
  ixpk= 3054, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1845,1846,1847,
 &end
#
#     0  AMB  20-2:3055 122  ASN  HA        2.8   (#  3055:20  Single)
 &rst
  ixpk= 3055, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1855,1856,1371,1372,
 &end
#
#   102  HIS  HD2    24  LEU  HA        7.0   (#  3059:20  Unique)
 &rst
  ixpk= 3059, nxpk= 20, iat=1536, 348, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  20-2:3060  24  LEU  HA        3.5   (#  3060:20  Single)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 350, 351, 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:3061  24  LEU  HA        4.5   (#  3061:20  Single)
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 353, 635, 636,
 &end
#
#    24  LEU  HN     24  LEU  HA        4.5   (#  3062:20  Unique)
 &rst
  ixpk= 3062, nxpk= 20, iat= 346, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    24  LEU  HB+    24  LEU  HA        3.5   (#  3064:20  Unique)
 &rst
  ixpk= 3064, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#    25  ILE  HN     24  LEU  HA        2.8   (#  3065:20  Unique)
 &rst
  ixpk= 3065, nxpk= 20, iat= 365, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    24  LEU  MDY    24  LEU  HA        2.8   (#  3066:20  Unique)
 &rst
  ixpk= 3066, 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
#
#    44  VAL  HA     24  LEU  HA        4.5   (#  3067:20  Unique)
 &rst
  ixpk= 3067, nxpk= 20, iat= 646, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    24  LEU  MDX    24  LEU  HA        3.5   (#  3068:20  Unique)
 &rst
  ixpk= 3068, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:3085   5  ASP  HA        4.5   (#  3085:20  Single)
 &rst
  ixpk= 3085, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 463, 464,  71,
 &end
#
#     7  ALA  HN      5  ASP  HA        4.5   (#  3086:20  Unique)
 &rst
  ixpk= 3086, nxpk= 20, iat=  88,  59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     5  ASP  HB-     5  ASP  HA        2.8   (#  3087:20  Unique)
 &rst
  ixpk= 3087, 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        3.5   (#  3088:20  Unique)
 &rst
  ixpk= 3088, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#     6  LEU  HN      5  ASP  HA        2.8   (#  3089:20  Unique)
 &rst
  ixpk= 3089, nxpk= 20, iat=  69,  59, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     5  ASP  HN      5  ASP  HA        3.5   (#  3090:20  Unique)
 &rst
  ixpk= 3090, nxpk= 20, iat=  57,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    29  SER  HB+     5  ASP  HA        5.5   (#  3093:20  Unique)
 &rst
  ixpk= 3093, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    31  PRO  HB+     5  ASP  HA        4.5   (#  3096:20  Unique)
 &rst
  ixpk= 3096, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 469, 470,
 &end
#
#    75  GLY  HN     74  LEU  HA        4.5   (#  3100:20  Unique)
 &rst
  ixpk= 3100, nxpk= 20, iat=1122,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    74  LEU  MDY    74  LEU  HA        2.8   (#  3101:20  Unique)
 &rst
  ixpk= 3101, 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
#
#    74  LEU  MDX    74  LEU  HA        3.5   (#  3102:20  Unique)
 &rst
  ixpk= 3102, 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
#
#    74  LEU  HG     74  LEU  HA        3.5   (#  3103:20  Unique)
 &rst
  ixpk= 3103, nxpk= 20, iat=1110,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HB3    74  LEU  HA        2.8   (#  3104:20  Unique)
 &rst
  ixpk= 3104, nxpk= 20, iat=1108,1105, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    21  LYS  HE+    20  PHE  HA        5.5   (#  3105:20  Unique)
 &rst
  ixpk= 3105, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 300, 301,
 &end
#
#   111  ALA  MB    111  ALA  HA        2.8   (#  3106:20  Unique)
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#    74  LEU  HB2    74  LEU  HA        3.5   (#  3107:20  Unique)
 &rst
  ixpk= 3107, nxpk= 20, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     7  ALA  MB      7  ALA  HA        2.8   (#  3108:20  Unique)
 &rst
  ixpk= 3108, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  92,  93,  94,
 &end
#
#     7  ALA  HN      7  ALA  HA        2.8   (#  3109:20  Unique)
 &rst
  ixpk= 3109, nxpk= 20, iat=  88,  90, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    74  LEU  HN     74  LEU  HA        4.5   (#  3110:20  Unique)
 &rst
  ixpk= 3110, nxpk= 20, iat=1103,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   111  ALA  HN    111  ALA  HA        3.5   (#  3112:20  Unique)
 &rst
  ixpk= 3112, nxpk= 20, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3114   7  ALA  HA        3.5   (#  3114:20  Single)
 &rst
  ixpk= 3114, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  98, 117,
 &end
#
#    20  PHE  HB-    20  PHE  HA        3.5   (#  3116:20  Unique)
 &rst
  ixpk= 3116, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 271, 272,
 &end
#
#    20  PHE  HN     20  PHE  HA        3.5   (#  3117:20  Unique)
 &rst
  ixpk= 3117, nxpk= 20, iat= 267, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3118   0  AMB  20-1:3118     4.5   (#  3118:20  Double)
 &rst
  ixpk= 3118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 598, 599, 105,1686,1687,
 igr2=  90,1674,
 &end
#
#   112  LYS  HN    111  ALA  HA        4.5   (#  3119:20  Unique)
 &rst
  ixpk= 3119, nxpk= 20, iat=1682,1674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  MGY    89  HIS  HA        4.5   (#  3120:20  Unique)
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    21  LYS  HN     20  PHE  HA        3.5   (#  3121:20  Unique)
 &rst
  ixpk= 3121, nxpk= 20, iat= 287, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3122   0  AMB  20-1:3122     5.5   (#  3122:20  Double)
 &rst
  ixpk= 3122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1654,1655, 592, 593,
 igr2=1674,  90,
 &end
#
#    20  PHE  HB+    20  PHE  HA        3.5   (#  3123:20  Unique)
 &rst
  ixpk= 3123, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 271, 272,
 &end
#
#    90  VAL  HN     89  HIS  HA        2.8   (#  3124:20  Unique)
 &rst
  ixpk= 3124, nxpk= 20, iat=1351,1336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   119  THR  HN     89  HIS  HA        3.5   (#  3125:20  Unique)
 &rst
  ixpk= 3125, nxpk= 20, iat=1803,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3126   7  ALA  HA        4.5   (#  3126:20  Single)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  73, 102, 103,
 &end
#
#    89  HIS  HB-    89  HIS  HA        3.5   (#  3127:20  Unique)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1338,1339,
 &end
#
#    89  HIS  HB+    89  HIS  HA        3.5   (#  3128:20  Unique)
 &rst
  ixpk= 3128, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1338,1339,
 &end
#
#    19  VAL  MG1    20  PHE  HA        5.5   (#  3130:20  Unique)
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 257, 258, 259,
 &end
#
#    90  VAL  MGY    89  HIS  HA        5.5   (#  3131:20  Unique)
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   103  ALA  HN    101  GLN  HA        5.5   (#  3134:20  Unique)
 &rst
  ixpk= 3134, nxpk= 20, iat=1540,1508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   101  GLN  HN    101  GLN  HA        3.5   (#  3135:20  Unique)
 &rst
  ixpk= 3135, nxpk= 20, iat=1506,1508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   101  GLN  HG+   101  GLN  HA        3.5   (#  3136:20  Unique)
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1513,1514,
 &end
#
#   101  GLN  HG-   101  GLN  HA        3.5   (#  3137:20  Unique)
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1513,1514,
 &end
#
#   102  HIS  HN    101  GLN  HA        3.5   (#  3139:20  Unique)
 &rst
  ixpk= 3139, nxpk= 20, iat=1523,1508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   101  GLN  HB-   101  GLN  HA        2.8   (#  3140:20  Unique)
 &rst
  ixpk= 3140, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#   101  GLN  HB+   101  GLN  HA        2.8   (#  3141:20  Unique)
 &rst
  ixpk= 3141, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#     0  AMB  20-2:3142   0  AMB  20-1:3142     5.5   (#  3142:20  Double)
 &rst
  ixpk= 3142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 691, 275, 283,
 igr2= 693, 311,
 &end
#
#     6  LEU  MDY    28  HIS  HA        5.5   (#  3143:20  Unique)
 &rst
  ixpk= 3143, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    28  HIS  HB2    28  HIS  HA        3.5   (#  3144:20  Unique)
 &rst
  ixpk= 3144, nxpk= 20, iat= 428, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HB3    28  HIS  HA        3.5   (#  3145:20  Unique)
 &rst
  ixpk= 3145, nxpk= 20, iat= 429, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HB3    28  HIS  HA        4.5   (#  3146:20  Unique)
 &rst
  ixpk= 3146, nxpk= 20, iat= 582, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    29  SER  HB-    28  HIS  HA        5.5   (#  3147:20  Unique)
 &rst
  ixpk= 3147, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    46  GLY  HA+    22  TYR  HA        3.5   (#  3148:20  Unique)
 &rst
  ixpk= 3148, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 686, 687,
 &end
#
#    29  SER  HN     28  HIS  HA        2.8   (#  3149:20  Unique)
 &rst
  ixpk= 3149, nxpk= 20, iat= 441, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    28  HIS  HN     28  HIS  HA        3.5   (#  3150:20  Unique)
 &rst
  ixpk= 3150, nxpk= 20, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   100  ALA  HA    101  GLN  HA        5.5   (#  3151:20  Unique)
 &rst
  ixpk= 3151, nxpk= 20, iat=1498,1508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    22  TYR  HN     22  TYR  HA        5.5   (#  3152:20  Unique)
 &rst
  ixpk= 3152, nxpk= 20, iat= 309, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    79  ILE  QD1     0  AMB  20-1:3153     5.5   (#  3153:20  Single)
 &rst
  ixpk= 3153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1180,1181,1182,
 igr2= 311, 693,
 &end
#
#    22  TYR  HB-    22  TYR  HA        3.5   (#  3154:20  Unique)
 &rst
  ixpk= 3154, 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        4.5   (#  3155:20  Unique)
 &rst
  ixpk= 3155, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 686, 687,
 &end
#
#     0  AMB  20-2:3156 101  GLN  HA        4.5   (#  3156:20  Single)
 &rst
  ixpk= 3156, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1500,1501,1502,1563,1564,1565, 355, 356, 357, 359,
       360, 361,
 &end
#
#     8  LEU  MDX     8  LEU  HA        3.5   (#  3157:20  Unique)
 &rst
  ixpk= 3157, 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
#
#    22  TYR  HB+    22  TYR  HA        3.5   (#  3158:20  Unique)
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 314,
 &end
#
#     8  LEU  HB-     8  LEU  HA        2.8   (#  3159:20  Unique)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 102, 103,
 &end
#
#     8  LEU  MDY     8  LEU  HA        2.8   (#  3162:20  Unique)
 &rst
  ixpk= 3162, 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
#
#     0  AMB  20-2:3163   8  LEU  HA        2.8   (#  3163:20  Single)
 &rst
  ixpk= 3163, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  98, 117,
 &end
#
#    23  VAL  HN     22  TYR  HA        3.5   (#  3164:20  Unique)
 &rst
  ixpk= 3164, nxpk= 20, iat= 330, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HB2    28  HIS  HA        4.5   (#  3165:20  Unique)
 &rst
  ixpk= 3165, nxpk= 20, iat= 581, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3168  28  HIS  HA        5.5   (#  3168:20  Single)
 &rst
  ixpk= 3168, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 457, 458, 556, 557, 558,
 &end
#
#    56  ILE  QD1    22  TYR  HA        3.5   (#  3169:20  Unique)
 &rst
  ixpk= 3169, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 856, 857, 858,
 &end
#
#    40  SER  HA     28  HIS  HA        3.5   (#  3172:20  Unique)
 &rst
  ixpk= 3172, nxpk= 20, iat= 579, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   106  THR  HN    103  ALA  HA        5.5   (#  3173:20  Unique)
 &rst
  ixpk= 3173, nxpk= 20, iat=1580,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     6  LEU  MDX    28  HIS  HA        3.5   (#  3175:20  Unique)
 &rst
  ixpk= 3175, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     7  ALA  MB      8  LEU  HA        5.5   (#  3176:20  Unique)
 &rst
  ixpk= 3176, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#    41  LYS  HN     28  HIS  HA        4.5   (#  3179:20  Unique)
 &rst
  ixpk= 3179, nxpk= 20, iat= 588, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    67  GLN  HB2    67  GLN  HA        3.5   (#  3181:20  Unique)
 &rst
  ixpk= 3181, nxpk= 20, iat=1023,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    68  GLY  HN      0  AMB  20-1:3182     3.5   (#  3182:20  Single)
 &rst
  ixpk= 3182, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1021, 478,
 &end
#
#     0  AMB  20-2:3184  67  GLN  HA        2.8   (#  3184:20  Single)
 &rst
  ixpk= 3184, nxpk= 20, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1026,1027,1024,
 &end
#
#    81  HIS  HB+    81  HIS  HA        4.5   (#  3185:20  Unique)
 &rst
  ixpk= 3185, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1201,1202,
 &end
#
#    67  GLN  HN     67  GLN  HA        3.5   (#  3187:20  Unique)
 &rst
  ixpk= 3187, nxpk= 20, iat=1019,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   120  TRP  HN    120  TRP  HA        4.5   (#  3188:20  Unique)
 &rst
  ixpk= 3188, nxpk= 20, iat=1817,1819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    81  HIS  HB-    81  HIS  HA        4.5   (#  3189:20  Unique)
 &rst
  ixpk= 3189, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1201,1202,
 &end
#
#   103  ALA  HN    103  ALA  HA        4.5   (#  3191:20  Unique)
 &rst
  ixpk= 3191, nxpk= 20, iat=1540,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   120  TRP  HD1   103  ALA  HA        5.5   (#  3192:20  Unique)
 &rst
  ixpk= 3192, nxpk= 20, iat=1825,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   104  ILE  HN    103  ALA  HA        5.5   (#  3193:20  Unique)
 &rst
  ixpk= 3193, nxpk= 20, iat=1550,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HD1   120  TRP  HA        7.0   (#  3194:20  Unique)
 &rst
  ixpk= 3194, nxpk= 20, iat=1825,1819, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   121  ALA  HN    120  TRP  HA        3.5   (#  3195:20  Unique)
 &rst
  ixpk= 3195, nxpk= 20, iat=1841,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  MGY   120  TRP  HA        5.5   (#  3196:20  Unique)
 &rst
  ixpk= 3196, 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
#
#   120  TRP  HD1   103  ALA  HA        5.5   (#  3197:20  Unique)
 &rst
  ixpk= 3197, nxpk= 20, iat=1825,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    89  HIS  HE1   120  TRP  HA        4.5   (#  3198:20  Unique)
 &rst
  ixpk= 3198, nxpk= 20, iat=1344,1819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  HB    120  TRP  HA        3.5   (#  3199:20  Unique)
 &rst
  ixpk= 3199, nxpk= 20, iat=1355,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   103  ALA  MB    103  ALA  HA        2.8   (#  3201:20  Unique)
 &rst
  ixpk= 3201, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1544,1545,1546,
 &end
#
#     0  AMB  20-2:3202 120  TRP  HA        2.8   (#  3202:20  Single)
 &rst
  ixpk= 3202, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1821,1822,1821,1822,
 &end
#
#    90  VAL  HN    120  TRP  HA        3.5   (#  3203:20  Unique)
 &rst
  ixpk= 3203, nxpk= 20, iat=1351,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  MGX   120  TRP  HA        5.5   (#  3205:20  Unique)
 &rst
  ixpk= 3205, 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
#
#     0  AMB  20-2:3207 103  ALA  HA        4.5   (#  3207:20  Single)
 &rst
  ixpk= 3207, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1584,1525,1508,
 &end
#
#   106  THR  MG2   103  ALA  HA        4.5   (#  3208:20  Unique)
 &rst
  ixpk= 3208, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#    87  LYS  HG-    87  LYS  HA        3.5   (#  3209:20  Unique)
 &rst
  ixpk= 3209, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1300,1301,
 &end
#
#   106  THR  MG2   120  TRP  HA        5.5   (#  3212:20  Unique)
 &rst
  ixpk= 3212, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    96  ALA  MB     96  ALA  HA        2.8   (#  3213:20  Unique)
 &rst
  ixpk= 3213, nxpk= 20, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1448,1449,1450,
 &end
#
#    88  ILE  HN     87  LYS  HA        3.5   (#  3214:20  Unique)
 &rst
  ixpk= 3214, nxpk= 20, iat=1315,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    33  SER  HN     32  ARG  HA        5.5   (#  3216:20  Unique)
 &rst
  ixpk= 3216, nxpk= 20, iat= 500, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    96  ALA  HN     96  ALA  HA        5.5   (#  3220:20  Unique)
 &rst
  ixpk= 3220, nxpk= 20, iat=1444,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HE1   103  ALA  HA        4.5   (#  3222:20  Unique)
 &rst
  ixpk= 3222, nxpk= 20, iat=1827,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    87  LYS  HB-    87  LYS  HA        3.5   (#  3224:20  Unique)
 &rst
  ixpk= 3224, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1297,1298,
 &end
#
#    32  ARG  HB-    32  ARG  HA        4.5   (#  3225:20  Unique)
 &rst
  ixpk= 3225, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#    87  LYS  HB+    87  LYS  HA        3.5   (#  3226:20  Unique)
 &rst
  ixpk= 3226, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1297,1298,
 &end
#
#    32  ARG  HB+    32  ARG  HA        4.5   (#  3227:20  Unique)
 &rst
  ixpk= 3227, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#    87  LYS  HA    117  GLU  HB+        5.5   (#  3228:20)
 &rst
  ixpk= 3228, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    32  ARG  HG+    32  ARG  HA        4.5   (#  3229:20  Unique)
 &rst
  ixpk= 3229, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 483, 484,
 &end
#
#     0  AMB  20-2:3233  26  ARG  HA        4.5   (#  3233:20  Single)
 &rst
  ixpk= 3233, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 617, 618, 388,
 &end
#
#     0  AMB  20-2:3234  26  ARG  HA        3.5   (#  3234:20  Single)
 &rst
  ixpk= 3234, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 617, 618, 388,
 &end
#
#    72  GLU  HB-    72  GLU  HA        3.5   (#  3235:20  Unique)
 &rst
  ixpk= 3235, 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   (#  3236:20  Unique)
 &rst
  ixpk= 3236, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#     0  AMB  20-2:3237  72  GLU  HA        3.5   (#  3237:20  Single)
 &rst
  ixpk= 3237, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1084,1085,1084,1085,
 &end
#
#    42  GLU  HA     26  ARG  HA        2.8   (#  3239:20  Unique)
 &rst
  ixpk= 3239, nxpk= 20, iat= 612, 386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    72  GLU  HN     72  GLU  HA        4.5   (#  3240:20  Unique)
 &rst
  ixpk= 3240, nxpk= 20, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    73  CYS  HN     72  GLU  HA        3.5   (#  3241:20  Unique)
 &rst
  ixpk= 3241, nxpk= 20, iat=1092,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3242  26  ARG  HA        2.8   (#  3242:20  Single)
 &rst
  ixpk= 3242, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 408, 384,
 &end
#
#    43  ILE  HN     26  ARG  HA        5.5   (#  3243:20  Unique)
 &rst
  ixpk= 3243, nxpk= 20, iat= 625, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3244  26  ARG  HA        3.5   (#  3244:20  Single)
 &rst
  ixpk= 3244, 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  HG+    26  ARG  HA        4.5   (#  3245:20  Unique)
 &rst
  ixpk= 3245, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#    26  ARG  HB3    26  ARG  HA        4.5   (#  3246:20  Unique)
 &rst
  ixpk= 3246, nxpk= 20, iat= 389, 386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3247  26  ARG  HA        4.5   (#  3247:20  Single)
 &rst
  ixpk= 3247, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361, 631, 632, 633,
 &end
#
#     1  MET  HB-     1  MET  HA        4.5   (#  3249:20  Unique)
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=   8,   9,
 &end
#
#    43  ILE  HN     26  ARG  HA        4.5   (#  3250:20  Unique)
 &rst
  ixpk= 3250, nxpk= 20, iat= 625, 386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    42  GLU  HG+    26  ARG  HA        5.5   (#  3251:20  Unique)
 &rst
  ixpk= 3251, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 617, 618,
 &end
#
#     1  MET  HB+     1  MET  HA        3.5   (#  3252:20  Unique)
 &rst
  ixpk= 3252, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#     2  ALA  HN      1  MET  HA        4.5   (#  3253:20  Unique)
 &rst
  ixpk= 3253, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3254  41  LYS  HA        4.5   (#  3254:20  Single)
 &rst
  ixpk= 3254, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599, 614, 615,
 &end
#
#     2  ALA  MB      1  MET  HA        5.5   (#  3256:20  Unique)
 &rst
  ixpk= 3256, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  25,  26,  27,
 &end
#
#    41  LYS  HG+    41  LYS  HA        4.5   (#  3260:20  Unique)
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#     6  LEU  MDX    41  LYS  HA        5.5   (#  3261:20  Unique)
 &rst
  ixpk= 3261, 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
#
#    41  LYS  HN     41  LYS  HA        3.5   (#  3262:20  Unique)
 &rst
  ixpk= 3262, nxpk= 20, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3263  41  LYS  HA        2.8   (#  3263:20  Single)
 &rst
  ixpk= 3263, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 592, 593, 592, 593,
 &end
#
#     0  AMB  20-2:3264  41  LYS  HA        5.5   (#  3264:20  Single)
 &rst
  ixpk= 3264, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 612, 579,
 &end
#
#     0  AMB  20-2:3265  41  LYS  HA        5.5   (#  3265:20  Single)
 &rst
  ixpk= 3265, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 612, 579,
 &end
#
#    42  GLU  HN     41  LYS  HA        2.8   (#  3266:20  Unique)
 &rst
  ixpk= 3266, nxpk= 20, iat= 610, 590, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    41  LYS  HG-    41  LYS  HA        4.5   (#  3267:20  Unique)
 &rst
  ixpk= 3267, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#     0  AMB  20-2:3274  42  GLU  HA        3.5   (#  3274:20  Single)
 &rst
  ixpk= 3274, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 631, 632, 633, 355, 356, 357, 359, 360, 361, 355,
       356, 357, 359, 360, 361,
 &end
#
#     0  AMB  20-2:3275  42  GLU  HA        5.5   (#  3275:20  Single)
 &rst
  ixpk= 3275, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596, 635, 636,
 &end
#
#     0  AMB  20-2:3276  42  GLU  HA        5.5   (#  3276:20  Single)
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636, 391, 392,
 &end
#
#    42  GLU  HB-    42  GLU  HA        3.5   (#  3279:20  Unique)
 &rst
  ixpk= 3279, 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   (#  3280:20  Unique)
 &rst
  ixpk= 3280, nxpk= 20, iat= 625, 612, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3281  42  GLU  HA        2.8   (#  3281:20  Single)
 &rst
  ixpk= 3281, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615, 617, 618,
 &end
#
#    27  VAL  HN     42  GLU  HA        3.5   (#  3282:20  Unique)
 &rst
  ixpk= 3282, nxpk= 20, iat= 408, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    42  GLU  HG+    42  GLU  HA        4.5   (#  3284:20  Unique)
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#   121  ALA  HN     91  TYR  HA        4.5   (#  3285:20  Unique)
 &rst
  ixpk= 3285, nxpk= 20, iat=1841,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    42  GLU  HN     42  GLU  HA        4.5   (#  3286:20  Unique)
 &rst
  ixpk= 3286, nxpk= 20, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    91  TYR  HB-    91  TYR  HA        4.5   (#  3287:20  Unique)
 &rst
  ixpk= 3287, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#    26  ARG  HA     42  GLU  HA        3.5   (#  3290:20  Unique)
 &rst
  ixpk= 3290, nxpk= 20, iat= 386, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    92  GLY  HN     91  TYR  HA        4.5   (#  3291:20  Unique)
 &rst
  ixpk= 3291, nxpk= 20, iat=1388,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   118  VAL  MGY   117  GLU  HA        5.5   (#  3293:20  Unique)
 &rst
  ixpk= 3293, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   117  GLU  HB+   117  GLU  HA        3.5   (#  3294:20  Unique)
 &rst
  ixpk= 3294, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1776,1777,
 &end
#
#   117  GLU  HB-   117  GLU  HA        3.5   (#  3296:20  Unique)
 &rst
  ixpk= 3296, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1776,1777,
 &end
#
#   118  VAL  HN    117  GLU  HA        2.8   (#  3298:20  Unique)
 &rst
  ixpk= 3298, nxpk= 20, iat=1787,1774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    91  TYR  HB+    91  TYR  HA        4.5   (#  3300:20  Unique)
 &rst
  ixpk= 3300, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#     0  AMB  20-2:3301  39  GLU  HA        4.5   (#  3301:20  Single)
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 554, 544,
 &end
#
#    91  TYR  HA     91  TYR  HD         5.5   (#  3302:20)
 &rst
  ixpk= 3302, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1375,1384,
 &end
#
#    39  GLU  HB+    39  GLU  HA        2.8   (#  3304:20  Unique)
 &rst
  ixpk= 3304, 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   (#  3305:20  Unique)
 &rst
  ixpk= 3305, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 566, 567,
 &end
#
#    40  SER  HN     39  GLU  HA        2.8   (#  3307:20  Unique)
 &rst
  ixpk= 3307, nxpk= 20, iat= 577, 564, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   118  VAL  MGX   117  GLU  HA        5.5   (#  3308:20  Unique)
 &rst
  ixpk= 3308, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:3310  39  GLU  HA        3.5   (#  3310:20  Single)
 &rst
  ixpk= 3310, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570, 569, 570,
 &end
#
#   117  GLU  HG-   117  GLU  HA        4.5   (#  3311:20  Unique)
 &rst
  ixpk= 3311, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1779,1780,
 &end
#
#   117  GLU  HG+   117  GLU  HA        3.5   (#  3314:20  Unique)
 &rst
  ixpk= 3314, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1779,1780,
 &end
#
#     6  LEU  MDX    39  GLU  HA        4.5   (#  3317:20  Unique)
 &rst
  ixpk= 3317, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    49  TRP  HD1    49  TRP  HA        4.5   (#  3321:20  Unique)
 &rst
  ixpk= 3321, 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   (#  3323:20  Unique)
 &rst
  ixpk= 3323, 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   (#  3325:20  Unique)
 &rst
  ixpk= 3325, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 738, 739,
 &end
#
#   113  TYR  HN    112  LYS  HA        5.5   (#  3326:20  Unique)
 &rst
  ixpk= 3326, nxpk= 20, iat=1704,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   112  LYS  HD+   112  LYS  HA        4.5   (#  3327:20  Unique)
 &rst
  ixpk= 3327, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1692,1693,
 &end
#
#   112  LYS  HG+   112  LYS  HA        2.8   (#  3328:20  Unique)
 &rst
  ixpk= 3328, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1689,1690,
 &end
#
#   113  TYR  HN    112  LYS  HA        5.5   (#  3329:20  Unique)
 &rst
  ixpk= 3329, nxpk= 20, iat=1704,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3330 112  LYS  HA        2.8   (#  3330:20  Single)
 &rst
  ixpk= 3330, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1692,1693,1686,1687,
 &end
#
#    49  TRP  HE3    49  TRP  HA        5.5   (#  3332:20  Unique)
 &rst
  ixpk= 3332, nxpk= 20, iat= 753, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   111  ALA  MB    112  LYS  HA        4.5   (#  3333:20  Unique)
 &rst
  ixpk= 3333, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1676,1677,1678,
 &end
#
#    50  ALA  HN     49  TRP  HA        4.5   (#  3334:20  Unique)
 &rst
  ixpk= 3334, nxpk= 20, iat= 758, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   112  LYS  HB-   112  LYS  HA        2.8   (#  3336:20  Unique)
 &rst
  ixpk= 3336, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1686,1687,
 &end
#
#   112  LYS  HN    112  LYS  HA        3.5   (#  3338:20  Unique)
 &rst
  ixpk= 3338, nxpk= 20, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3339  93  TYR  HA        5.5   (#  3339:20  Single)
 &rst
  ixpk= 3339, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1395,1129,
 &end
#
#   100  ALA  HN     93  TYR  HA        5.5   (#  3342:20  Unique)
 &rst
  ixpk= 3342, nxpk= 20, iat=1496,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HB-    93  TYR  HA        4.5   (#  3343:20  Unique)
 &rst
  ixpk= 3343, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1399,1400,
 &end
#
#    94  SER  HN     93  TYR  HA        4.5   (#  3346:20  Unique)
 &rst
  ixpk= 3346, nxpk= 20, iat=1416,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    93  TYR  HB+    93  TYR  HA        5.5   (#  3350:20  Unique)
 &rst
  ixpk= 3350, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1399,1400,
 &end
#
#    67  GLN  HE2-   64  MET  HA        5.5   (#  3353:20  Unique)
 &rst
  ixpk= 3353, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1031,1032,
 &end
#
#     0  AMB  20-2:3354  64  MET  HA        5.5   (#  3354:20  Single)
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 997, 992, 993,
 &end
#
#    64  MET  HG-    64  MET  HA        3.5   (#  3355:20  Unique)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#    67  GLN  HN     64  MET  HA        4.5   (#  3356:20  Unique)
 &rst
  ixpk= 3356, nxpk= 20, iat=1019, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    65  GLN  HN     64  MET  HA        4.5   (#  3358:20  Unique)
 &rst
  ixpk= 3358, nxpk= 20, iat= 980, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    64  MET  HG+    64  MET  HA        3.5   (#  3359:20  Unique)
 &rst
  ixpk= 3359, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#    64  MET  HN     64  MET  HA        3.5   (#  3360:20  Unique)
 &rst
  ixpk= 3360, nxpk= 20, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HB2    64  MET  HA        3.5   (#  3361:20  Unique)
 &rst
  ixpk= 3361, nxpk= 20, iat=1023, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3362  64  MET  HA        2.8   (#  3362:20  Single)
 &rst
  ixpk= 3362, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1047,1026,1027,
 &end
#
#     0  AMB  20-2:3363   6  LEU  HA        5.5   (#  3363:20  Single)
 &rst
  ixpk= 3363, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 601, 602,  61,  62,1048,
 &end
#
#    64  MET  HB3    64  MET  HA        3.5   (#  3364:20  Unique)
 &rst
  ixpk= 3364, nxpk= 20, iat= 968, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3366   6  LEU  HA        5.5   (#  3366:20  Single)
 &rst
  ixpk= 3366, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 595, 596, 107, 108, 109, 111, 112, 113,
 &end
#
#    52  TYR  HB+    52  TYR  HA        4.5   (#  3367:20  Unique)
 &rst
  ixpk= 3367, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#    64  MET  ME     64  MET  HA        3.5   (#  3368:20  Unique)
 &rst
  ixpk= 3368, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 974, 975, 976,
 &end
#
#    53  HIS  HN     52  TYR  HA        4.5   (#  3369:20  Unique)
 &rst
  ixpk= 3369, nxpk= 20, iat= 804, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     7  ALA  HN      6  LEU  HA        4.5   (#  3370:20  Unique)
 &rst
  ixpk= 3370, nxpk= 20, iat=  88,  71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3371  40  SER  HA        5.5   (#  3371:20  Single)
 &rst
  ixpk= 3371, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 429, 394, 395,
 &end
#
#     9  ILE  QD1     6  LEU  HA        2.8   (#  3372:20  Unique)
 &rst
  ixpk= 3372, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 130, 131, 132,
 &end
#
#    52  TYR  HD     52  TYR  HA        3.5   (#  3373:20  Unique)
 &rst
  ixpk= 3373, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 800,
 &end
#
#    52  TYR  HB-    52  TYR  HA        3.5   (#  3375:20  Unique)
 &rst
  ixpk= 3375, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#     6  LEU  HG      6  LEU  HA        3.5   (#  3377:20  Unique)
 &rst
  ixpk= 3377, nxpk= 20, iat=  76,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HB2    64  MET  HA        3.5   (#  3378:20  Unique)
 &rst
  ixpk= 3378, nxpk= 20, iat= 967, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HA     40  SER  HA        3.5   (#  3379:20  Unique)
 &rst
  ixpk= 3379, nxpk= 20, iat= 426, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  MDY     6  LEU  HA        2.8   (#  3381:20  Unique)
 &rst
  ixpk= 3381, 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
#
#     6  LEU  HB2     6  LEU  HA        3.5   (#  3382:20  Unique)
 &rst
  ixpk= 3382, nxpk= 20, iat=  73,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3384   6  LEU  HA        3.5   (#  3384:20  Single)
 &rst
  ixpk= 3384, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 117,  98,
 &end
#
#     6  LEU  HN      6  LEU  HA        3.5   (#  3385:20  Unique)
 &rst
  ixpk= 3385, nxpk= 20, iat=  69,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HB3     6  LEU  HA        2.8   (#  3386:20  Unique)
 &rst
  ixpk= 3386, nxpk= 20, iat=  74,  71, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    40  SER  HN     40  SER  HA        4.5   (#  3388:20  Unique)
 &rst
  ixpk= 3388, nxpk= 20, iat= 577, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    40  SER  HB3    40  SER  HA        3.5   (#  3389:20  Unique)
 &rst
  ixpk= 3389, nxpk= 20, iat= 582, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    41  LYS  HN     40  SER  HA        2.8   (#  3390:20  Unique)
 &rst
  ixpk= 3390, nxpk= 20, iat= 588, 579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     9  ILE  HG1+    6  LEU  HA        4.5   (#  3391:20  Unique)
 &rst
  ixpk= 3391, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 127, 128,
 &end
#
#     0  AMB  20-2:3392   6  LEU  HA        4.5   (#  3392:20  Single)
 &rst
  ixpk= 3392, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128, 598, 599,
 &end
#
#    40  SER  HB2    40  SER  HA        3.5   (#  3393:20  Unique)
 &rst
  ixpk= 3393, nxpk= 20, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    29  SER  HN     40  SER  HA        4.5   (#  3394:20  Unique)
 &rst
  ixpk= 3394, nxpk= 20, iat= 441, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  MDX    40  SER  HA        3.5   (#  3395:20  Unique)
 &rst
  ixpk= 3395, 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
#
#    62  GLY  HN     63  ASP  HA        5.5   (#  3396:20  Unique)
 &rst
  ixpk= 3396, nxpk= 20, iat= 944, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3397   0  AMB  20-1:3397     3.5   (#  3397:20  Double)
 &rst
  ixpk= 3397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 200, 201, 391, 392, 414, 415, 416, 418, 419, 420,
      
 igr2= 192, 579,
 &end
#
#     0  AMB  20-2:3399   0  AMB  20-1:3399     5.5   (#  3399:20  Double)
 &rst
  ixpk= 3399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 686, 687, 564, 443,
 igr2= 192, 579,
 &end
#
#    97  TYR  HB+    97  TYR  HA        4.5   (#  3401:20  Unique)
 &rst
  ixpk= 3401, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#    14  ILE  HN     14  ILE  HA        4.5   (#  3403:20  Unique)
 &rst
  ixpk= 3403, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HD     97  TYR  HA        3.5   (#  3404:20  Unique)
 &rst
  ixpk= 3404, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1462,1471,
 &end
#
#     0  AMB  20-2:3406   0  AMB  20-1:3406     2.8   (#  3406:20  Double)
 &rst
  ixpk= 3406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 196, 197, 198,  78,  79,  80,  82,  83,  84,
 igr2= 192, 579,
 &end
#
#    97  TYR  HB-    97  TYR  HA        4.5   (#  3407:20  Unique)
 &rst
  ixpk= 3407, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#    14  ILE  HB     14  ILE  HA        3.5   (#  3408:20  Unique)
 &rst
  ixpk= 3408, nxpk= 20, iat= 194, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3412   0  AMB  20-1:3412     5.5   (#  3412:20  Double)
 &rst
  ixpk= 3412, 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
#
#    96  ALA  MB     97  TYR  HA        5.5   (#  3413:20  Unique)
 &rst
  ixpk= 3413, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1448,1449,1450,
 &end
#
#    54  ALA  MB     55  ASP  HA        5.5   (#  3415:20  Unique)
 &rst
  ixpk= 3415, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 825, 826, 827,
 &end
#
#    64  MET  HN     63  ASP  HA        4.5   (#  3416:20  Unique)
 &rst
  ixpk= 3416, nxpk= 20, iat= 963, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3417  63  ASP  HA        3.5   (#  3417:20  Single)
 &rst
  ixpk= 3417, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1004,1005,1007,1008,
 &end
#
#    63  ASP  HB2    63  ASP  HA        2.8   (#  3418:20  Unique)
 &rst
  ixpk= 3418, nxpk= 20, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    63  ASP  HB3    63  ASP  HA        3.5   (#  3419:20  Unique)
 &rst
  ixpk= 3419, nxpk= 20, iat= 956, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HN     63  ASP  HA        3.5   (#  3420:20  Unique)
 &rst
  ixpk= 3420, nxpk= 20, iat= 951, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    97  TYR  HN     97  TYR  HA        4.5   (#  3421:20  Unique)
 &rst
  ixpk= 3421, nxpk= 20, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    46  GLY  HN     14  ILE  HA        4.5   (#  3422:20  Unique)
 &rst
  ixpk= 3422, nxpk= 20, iat= 684, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    66  LYS  HG-    63  ASP  HA        5.5   (#  3423:20  Unique)
 &rst
  ixpk= 3423, 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        4.5   (#  3426:20  Unique)
 &rst
  ixpk= 3426, nxpk= 20, iat= 997, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    66  LYS  HB+    63  ASP  HA        3.5   (#  3427:20  Unique)
 &rst
  ixpk= 3427, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1001,1002,
 &end
#
#     0  AMB  20-2:3429  63  ASP  HA        5.5   (#  3429:20  Single)
 &rst
  ixpk= 3429, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 946, 947, 919,
 &end
#
#    58  ASP  HB+    55  ASP  HA        4.5   (#  3430:20  Unique)
 &rst
  ixpk= 3430, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#    58  ASP  HN     55  ASP  HA        5.5   (#  3431:20  Unique)
 &rst
  ixpk= 3431, nxpk= 20, iat= 883, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    79  ILE  HB     21  LYS  HA        5.5   (#  3432:20  Unique)
 &rst
  ixpk= 3432, nxpk= 20, iat=1171, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    78  ARG  HG+    21  LYS  HA        5.5   (#  3433:20  Unique)
 &rst
  ixpk= 3433, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#    58  ASP  HB-    55  ASP  HA        4.5   (#  3434:20  Unique)
 &rst
  ixpk= 3434, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#    55  ASP  HB3    55  ASP  HA        3.5   (#  3435:20  Unique)
 &rst
  ixpk= 3435, nxpk= 20, iat= 836, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3436  55  ASP  HA        3.5   (#  3436:20  Single)
 &rst
  ixpk= 3436, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 831, 843,
 &end
#
#    55  ASP  HB2    55  ASP  HA        2.8   (#  3437:20  Unique)
 &rst
  ixpk= 3437, nxpk= 20, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    22  TYR  HN     21  LYS  HA        3.5   (#  3440:20  Unique)
 &rst
  ixpk= 3440, nxpk= 20, iat= 309, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    21  LYS  HB3    21  LYS  HA        4.5   (#  3441:20  Unique)
 &rst
  ixpk= 3441, nxpk= 20, iat= 292, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    78  ARG  HD+    21  LYS  HA        4.5   (#  3442:20  Unique)
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1153,1154,
 &end
#
#     0  AMB  20-2:3443  11  ASP  HA        5.5   (#  3443:20  Single)
 &rst
  ixpk= 3443, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1619,1620, 598, 599,1616,1617,1614, 614, 615,
 &end
#
#    71  CYS  HB3    71  CYS  HA        3.5   (#  3445:20  Unique)
 &rst
  ixpk= 3445, nxpk= 20, iat=1071,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    43  ILE  QD1    11  ASP  HA        5.5   (#  3446:20  Unique)
 &rst
  ixpk= 3446, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#    27  VAL  HA     71  CYS  HA        3.5   (#  3447:20  Unique)
 &rst
  ixpk= 3447, nxpk= 20, iat= 410,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3448  21  LYS  HA        5.5   (#  3448:20  Single)
 &rst
  ixpk= 3448, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1153,1154, 300, 301,
 &end
#
#    71  CYS  HB2    71  CYS  HA        3.5   (#  3449:20  Unique)
 &rst
  ixpk= 3449, nxpk= 20, iat=1070,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    72  GLU  HN     71  CYS  HA        2.8   (#  3452:20  Unique)
 &rst
  ixpk= 3452, nxpk= 20, iat=1077,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    11  ASP  HB-    11  ASP  HA        2.8   (#  3453:20  Unique)
 &rst
  ixpk= 3453, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 154, 155,
 &end
#
#    78  ARG  HB+    21  LYS  HA        5.5   (#  3454:20  Unique)
 &rst
  ixpk= 3454, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1147,1148,
 &end
#
#    11  ASP  HB+    11  ASP  HA        3.5   (#  3455:20  Unique)
 &rst
  ixpk= 3455, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155,
 &end
#
#    28  HIS  HD2    71  CYS  HA        4.5   (#  3456:20  Unique)
 &rst
  ixpk= 3456, nxpk= 20, iat= 437,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    71  CYS  HN     71  CYS  HA        3.5   (#  3457:20  Unique)
 &rst
  ixpk= 3457, nxpk= 20, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    43  ILE  QG2    11  ASP  HA        2.8   (#  3458:20  Unique)
 &rst
  ixpk= 3458, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#    12  VAL  HN     11  ASP  HA        4.5   (#  3459:20  Unique)
 &rst
  ixpk= 3459, nxpk= 20, iat= 162, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3460  71  CYS  HA        3.5   (#  3460:20  Single)
 &rst
  ixpk= 3460, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373, 391,
       392,
 &end
#
#     0  AMB  20-2:3461   0  AMB  20-1:3461     4.5   (#  3461:20  Double)
 &rst
  ixpk= 3461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1616,1617, 297, 298,
 igr2=1611, 770,
 &end
#
#    21  LYS  HB2    21  LYS  HA        5.5   (#  3462:20  Unique)
 &rst
  ixpk= 3462, nxpk= 20, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    44  VAL  HN     11  ASP  HA        4.5   (#  3465:20  Unique)
 &rst
  ixpk= 3465, nxpk= 20, iat= 644, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3466  11  ASP  HA        4.5   (#  3466:20  Single)
 &rst
  ixpk= 3466, nxpk= 20, iat=  -1, 152, 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
#
#    43  ILE  HA     11  ASP  HA        4.5   (#  3467:20  Unique)
 &rst
  ixpk= 3467, nxpk= 20, iat= 627, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3469  51  GLU  HA        4.5   (#  3469:20  Single)
 &rst
  ixpk= 3469, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 760, 736, 289,
 &end
#
#   108  LYS  HN    108  LYS  HA        3.5   (#  3474:20  Unique)
 &rst
  ixpk= 3474, nxpk= 20, iat=1609,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   112  LYS  HB+   108  LYS  HA        5.5   (#  3475:20  Unique)
 &rst
  ixpk= 3475, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1686,1687,
 &end
#
#    61  SER  HN     58  ASP  HA        5.5   (#  3476:20  Unique)
 &rst
  ixpk= 3476, nxpk= 20, iat= 933, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3477   0  AMB  20-1:3477     2.8   (#  3477:20  Double)
 &rst
  ixpk= 3477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1616,1617,1619,1620,1614, 297, 298,
 igr2=1611, 770,
 &end
#
#     0  AMB  20-2:3478 108  LYS  HA        4.5   (#  3478:20  Single)
 &rst
  ixpk= 3478, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 &end
#
#     0  AMB  20-2:3480 108  LYS  HA        2.8   (#  3480:20  Single)
 &rst
  ixpk= 3480, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1619,1620,1676,1677,1678,
 &end
#
#   111  ALA  HN    108  LYS  HA        4.5   (#  3481:20  Unique)
 &rst
  ixpk= 3481, nxpk= 20, iat=1672,1611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    61  SER  HB+    58  ASP  HA        4.5   (#  3482:20  Unique)
 &rst
  ixpk= 3482, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 937, 938,
 &end
#
#     0  AMB  20-2:3483   0  AMB  20-1:3483     4.5   (#  3483:20  Double)
 &rst
  ixpk= 3483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 783,1631,
 igr2= 770,1611,
 &end
#
#     0  AMB  20-2:3484   0  AMB  20-1:3484     2.8   (#  3484:20  Double)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 775, 776, 772, 773,1613,
 igr2= 770,1611,
 &end
#
#    58  ASP  HB+    58  ASP  HA        3.5   (#  3485:20  Unique)
 &rst
  ixpk= 3485, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#     0  AMB  20-2:3486  58  ASP  HA        4.5   (#  3486:20  Single)
 &rst
  ixpk= 3486, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 937, 938, 867,
 &end
#
#    58  ASP  HB-    58  ASP  HA        2.8   (#  3487:20  Unique)
 &rst
  ixpk= 3487, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   105  SER  HB2   102  HIS  HA        4.5   (#  3488:20  Unique)
 &rst
  ixpk= 3488, nxpk= 20, iat=1573,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    58  ASP  HN     58  ASP  HA        3.5   (#  3489:20  Unique)
 &rst
  ixpk= 3489, nxpk= 20, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  MGX   102  HIS  HA        4.5   (#  3490:20  Unique)
 &rst
  ixpk= 3490, 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
#
#   102  HIS  HB3   102  HIS  HA        3.5   (#  3492:20  Unique)
 &rst
  ixpk= 3492, nxpk= 20, iat=1528,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HN    102  HIS  HA        3.5   (#  3493:20  Unique)
 &rst
  ixpk= 3493, nxpk= 20, iat=1569,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HN    102  HIS  HA        5.5   (#  3495:20  Unique)
 &rst
  ixpk= 3495, nxpk= 20, iat=1550,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    62  GLY  HN     58  ASP  HA        5.5   (#  3496:20  Unique)
 &rst
  ixpk= 3496, nxpk= 20, iat= 944, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3497 102  HIS  HA        4.5   (#  3497:20  Single)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 355, 356, 357, 359, 360, 361,1500,1501,1502,
 &end
#
#   102  HIS  HB2   102  HIS  HA        3.5   (#  3498:20  Unique)
 &rst
  ixpk= 3498, nxpk= 20, iat=1527,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HB3   102  HIS  HA        5.5   (#  3499:20  Unique)
 &rst
  ixpk= 3499, nxpk= 20, iat=1574,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HN    102  HIS  HA        3.5   (#  3500:20  Unique)
 &rst
  ixpk= 3500, nxpk= 20, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     9  ILE  HG1+    9  ILE  HA        3.5   (#  3501:20  Unique)
 &rst
  ixpk= 3501, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#     9  ILE  QG2     9  ILE  HA        2.8   (#  3503:20  Unique)
 &rst
  ixpk= 3503, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 123, 124, 125,
 &end
#
#    10  PRO  HD+     9  ILE  HA        2.8   (#  3504:20  Unique)
 &rst
  ixpk= 3504, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 137, 138,
 &end
#
#     9  ILE  HG1-    9  ILE  HA        3.5   (#  3505:20  Unique)
 &rst
  ixpk= 3505, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#    10  PRO  HD-     9  ILE  HA        2.8   (#  3506:20  Unique)
 &rst
  ixpk= 3506, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 137, 138,
 &end
#
#     9  ILE  HN      9  ILE  HA        3.5   (#  3508:20  Unique)
 &rst
  ixpk= 3508, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3509 102  HIS  HA        5.5   (#  3509:20  Single)
 &rst
  ixpk= 3509, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1821,1822,1821,1822,1542,
 &end
#
#     0  AMB  20-2:3510  58  ASP  HA        3.5   (#  3510:20  Single)
 &rst
  ixpk= 3510, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 895, 870, 879,
 &end
#
#    10  PRO  HG+     9  ILE  HA        4.5   (#  3511:20  Unique)
 &rst
  ixpk= 3511, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 140, 141,
 &end
#
#     0  AMB  20-2:3513   9  ILE  HA        5.5   (#  3513:20  Single)
 &rst
  ixpk= 3513, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 102, 103, 143, 144,
 &end
#
#     0  AMB  20-2:3514  51  GLU  HA        2.8   (#  3514:20  Single)
 &rst
  ixpk= 3514, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 775, 776, 772, 773,
 &end
#
#    29  SER  HB+    29  SER  HA        3.5   (#  3515:20  Unique)
 &rst
  ixpk= 3515, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#     6  LEU  MDY    29  SER  HA        4.5   (#  3516:20  Unique)
 &rst
  ixpk= 3516, 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
#
#    29  SER  HB-    29  SER  HA        3.5   (#  3517:20  Unique)
 &rst
  ixpk= 3517, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#     9  ILE  HB      9  ILE  HA        3.5   (#  3519:20  Unique)
 &rst
  ixpk= 3519, nxpk= 20, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3522  29  SER  HA        5.5   (#  3522:20  Single)
 &rst
  ixpk= 3522, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  51,  52,  53,  74,
 &end
#
#    29  SER  HN     29  SER  HA        3.5   (#  3524:20  Unique)
 &rst
  ixpk= 3524, nxpk= 20, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    30  ALA  HN     29  SER  HA        2.8   (#  3525:20  Unique)
 &rst
  ixpk= 3525, nxpk= 20, iat= 452, 443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    74  LEU  HN     73  CYS  HA        2.8   (#  3528:20  Unique)
 &rst
  ixpk= 3528, nxpk= 20, iat=1103,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    73  CYS  HA     74  LEU  HA         5.5   (#  3529:20)
 &rst
  ixpk= 3529, nxpk= 20, iat=1094,1105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    75  GLY  HN     73  CYS  HA        5.5   (#  3531:20  Unique)
 &rst
  ixpk= 3531, nxpk= 20, iat=1122,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3532  73  CYS  HA        3.5   (#  3532:20  Single)
 &rst
  ixpk= 3532, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342,
 &end
#
#    26  ARG  HN     73  CYS  HA        4.5   (#  3535:20  Unique)
 &rst
  ixpk= 3535, nxpk= 20, iat= 384,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HE     73  CYS  HA        5.5   (#  3536:20  Unique)
 &rst
  ixpk= 3536, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#    73  CYS  HB-    73  CYS  HA        4.5   (#  3538:20  Unique)
 &rst
  ixpk= 3538, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    82  GLN  HN     82  GLN  HA        5.5   (#  3539:20  Unique)
 &rst
  ixpk= 3539, nxpk= 20, iat=1214,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    57  TYR  HE     73  CYS  HA        5.5   (#  3540:20  Unique)
 &rst
  ixpk= 3540, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#    82  GLN  HN     82  GLN  HA        4.5   (#  3541:20  Unique)
 &rst
  ixpk= 3541, nxpk= 20, iat=1214,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3542   0  AMB  20-1:3542     2.8   (#  3542:20  Double)
 &rst
  ixpk= 3542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1096,1097,1218,1219,1218,1219,
 igr2=1094,1216,
 &end
#
#    67  GLN  HN     66  LYS  HA        4.5   (#  3544:20  Unique)
 &rst
  ixpk= 3544, nxpk= 20, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    82  GLN  HG+    82  GLN  HA        4.5   (#  3545:20  Unique)
 &rst
  ixpk= 3545, nxpk= 20, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1221,1222,
 &end
#
#    43  ILE  HG1-   43  ILE  HA        5.5   (#  3546:20  Unique)
 &rst
  ixpk= 3546, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
#     0  AMB  20-2:3547  66  LYS  HA        5.5   (#  3547:20  Single)
 &rst
  ixpk= 3547, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,1024,1047,
 &end
#
#    68  GLY  HN     66  LYS  HA        5.5   (#  3548:20  Unique)
 &rst
  ixpk= 3548, nxpk= 20, iat=1036, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    66  LYS  HG+    66  LYS  HA        2.8   (#  3549:20  Unique)
 &rst
  ixpk= 3549, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1004,1005,
 &end
#
#    75  GLY  HN     73  CYS  HA        4.5   (#  3550:20  Unique)
 &rst
  ixpk= 3550, nxpk= 20, iat=1122,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3551  43  ILE  HA        5.5   (#  3551:20  Single)
 &rst
  ixpk= 3551, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 121, 166, 592, 593, 412,
 &end
#
#    66  LYS  HN     66  LYS  HA        3.5   (#  3552:20  Unique)
 &rst
  ixpk= 3552, nxpk= 20, iat= 997, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    66  LYS  HB+    66  LYS  HA        2.8   (#  3553:20  Unique)
 &rst
  ixpk= 3553, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1001,1002,
 &end
#
#    43  ILE  QD1    43  ILE  HA        5.5   (#  3554:20  Unique)
 &rst
  ixpk= 3554, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#    33  SER  HB+    33  SER  HA        3.5   (#  3555:20  Unique)
 &rst
  ixpk= 3555, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 504, 505,
 &end
#
#    44  VAL  MGX    43  ILE  HA        5.5   (#  3556:20  Unique)
 &rst
  ixpk= 3556, 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
#
#    44  VAL  HN     43  ILE  HA        2.8   (#  3557:20  Unique)
 &rst
  ixpk= 3557, nxpk= 20, iat= 644, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    43  ILE  QG2    43  ILE  HA        2.8   (#  3558:20  Unique)
 &rst
  ixpk= 3558, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#    43  ILE  HB     43  ILE  HA        2.8   (#  3559:20  Unique)
 &rst
  ixpk= 3559, nxpk= 20, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3560  43  ILE  HA        4.5   (#  3560:20  Single)
 &rst
  ixpk= 3560, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 650, 651, 652, 654, 655, 656, 595, 596,
 &end
#
#     0  AMB  20-2:3561  43  ILE  HA        5.5   (#  3561:20  Single)
 &rst
  ixpk= 3561, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1619,1620,1616,1617, 598, 599, 667, 668, 369,
 &end
#
#    43  ILE  HN     43  ILE  HA        4.5   (#  3562:20  Unique)
 &rst
  ixpk= 3562, nxpk= 20, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11  ASP  HA     43  ILE  HA        4.5   (#  3563:20  Unique)
 &rst
  ixpk= 3563, nxpk= 20, iat= 152, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HB-   110  LYS  HA        3.5   (#  3565:20  Unique)
 &rst
  ixpk= 3565, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#   100  ALA  MB     23  VAL  HA        5.5   (#  3566:20  Unique)
 &rst
  ixpk= 3566, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1500,1501,1502,
 &end
#
#     0  AMB  20-2:3567   0  AMB  20-1:3567     7.0   (#  3567:20  Double)
 &rst
  ixpk= 3567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1001,1002, 466, 467,
 igr2= 982, 502,
 &end
#
#     0  AMB  20-2:3571  43  ILE  HA        5.5   (#  3571:20  Single)
 &rst
  ixpk= 3571, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636, 595, 596,
 &end
#
#   118  VAL  MGY   110  LYS  HA        3.5   (#  3572:20  Unique)
 &rst
  ixpk= 3572, 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
#
#    60  VAL  HB     59  LYS  HA        7.0   (#  3573:20  Unique)
 &rst
  ixpk= 3573, nxpk= 20, iat= 921, 897, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    65  GLN  HE2-   65  GLN  HA        5.5   (#  3574:20  Unique)
 &rst
  ixpk= 3574, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 992, 993,
 &end
#
#    76  GLY  HA-    23  VAL  HA        4.5   (#  3576:20  Unique)
 &rst
  ixpk= 3576, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    77  GLY  HN     23  VAL  HA        4.5   (#  3578:20  Unique)
 &rst
  ixpk= 3578, nxpk= 20, iat=1136, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HG-   110  LYS  HA        4.5   (#  3579:20  Unique)
 &rst
  ixpk= 3579, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1657,1658,
 &end
#
#    67  GLN  HN     65  GLN  HA        5.5   (#  3582:20  Unique)
 &rst
  ixpk= 3582, nxpk= 20, iat=1019, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   110  LYS  HN    110  LYS  HA        4.5   (#  3583:20  Unique)
 &rst
  ixpk= 3583, nxpk= 20, iat=1650,1652, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    95  MET  HB-    95  MET  HA        3.5   (#  3586:20  Unique)
 &rst
  ixpk= 3586, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1431,1432,
 &end
#
#    95  MET  HG-    95  MET  HA        4.5   (#  3588:20  Unique)
 &rst
  ixpk= 3588, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1434,1435,
 &end
#
#   110  LYS  HB+   110  LYS  HA        3.5   (#  3589:20  Unique)
 &rst
  ixpk= 3589, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#     0  AMB  20-2:3590  23  VAL  HA        2.8   (#  3590:20  Single)
 &rst
  ixpk= 3590, 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
#
#    23  VAL  HN     23  VAL  HA        5.5   (#  3592:20  Unique)
 &rst
  ixpk= 3592, nxpk= 20, iat= 330, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    65  GLN  HB3    65  GLN  HA        2.8   (#  3594:20  Unique)
 &rst
  ixpk= 3594, nxpk= 20, iat= 985, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    66  LYS  HN     65  GLN  HA        4.5   (#  3595:20  Unique)
 &rst
  ixpk= 3595, nxpk= 20, iat= 997, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    65  GLN  HG+    65  GLN  HA        4.5   (#  3596:20  Unique)
 &rst
  ixpk= 3596, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
#   110  LYS  HG+   110  LYS  HA        3.5   (#  3597:20  Unique)
 &rst
  ixpk= 3597, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1657,1658,
 &end
#
#    24  LEU  HN     23  VAL  HA        2.8   (#  3598:20  Unique)
 &rst
  ixpk= 3598, nxpk= 20, iat= 346, 332, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3599   0  AMB  20-1:3599     3.5   (#  3599:20  Double)
 &rst
  ixpk= 3599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1431,1432, 987, 988,
 igr2=1429, 982,
 &end
#
#    23  VAL  HB     23  VAL  HA        3.5   (#  3600:20  Unique)
 &rst
  ixpk= 3600, nxpk= 20, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3601  65  GLN  HA        5.5   (#  3601:20  Single)
 &rst
  ixpk= 3601, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967,1023,
 &end
#
#    69  CYS  HN     65  GLN  HA        3.5   (#  3602:20  Unique)
 &rst
  ixpk= 3602, nxpk= 20, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    65  GLN  HG-    65  GLN  HA        3.5   (#  3603:20  Unique)
 &rst
  ixpk= 3603, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#    76  GLY  HA+    23  VAL  HA        3.5   (#  3604:20  Unique)
 &rst
  ixpk= 3604, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1132,
 &end
#
#    65  GLN  HN     65  GLN  HA        2.8   (#  3605:20  Unique)
 &rst
  ixpk= 3605, nxpk= 20, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3606  43  ILE  HA        5.5   (#  3606:20  Single)
 &rst
  ixpk= 3606, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1616,1617, 667, 668,
 &end
#
#    62  GLY  HN     59  LYS  HA        4.5   (#  3608:20  Unique)
 &rst
  ixpk= 3608, nxpk= 20, iat= 944, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    59  LYS  HG+    59  LYS  HA        2.8   (#  3609:20  Unique)
 &rst
  ixpk= 3609, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 902, 903,
 &end
#
#   110  LYS  HN    110  LYS  HA        5.5   (#  3611:20  Unique)
 &rst
  ixpk= 3611, nxpk= 20, iat=1650,1652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   113  TYR  HN    110  LYS  HA        5.5   (#  3612:20  Unique)
 &rst
  ixpk= 3612, nxpk= 20, iat=1704,1652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    83  SER  HB+    83  SER  HA        2.8   (#  3613:20  Unique)
 &rst
  ixpk= 3613, nxpk= 20, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1235,1236,
 &end
#
#    59  LYS  HB+    59  LYS  HA        2.8   (#  3615:20  Unique)
 &rst
  ixpk= 3615, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#    66  LYS  HE+    59  LYS  HA        5.5   (#  3616:20  Unique)
 &rst
  ixpk= 3616, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1010,1011,
 &end
#
#    90  VAL  MGY    79  ILE  HA        5.5   (#  3618:20  Unique)
 &rst
  ixpk= 3618, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    60  VAL  HN     59  LYS  HA        4.5   (#  3619:20  Unique)
 &rst
  ixpk= 3619, nxpk= 20, iat= 917, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3620  59  LYS  HA        5.5   (#  3620:20  Single)
 &rst
  ixpk= 3620, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 946, 947, 919, 845,
 &end
#
#    59  LYS  HN     59  LYS  HA        3.5   (#  3621:20  Unique)
 &rst
  ixpk= 3621, nxpk= 20, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    59  LYS  HD+    59  LYS  HA        3.5   (#  3622:20  Unique)
 &rst
  ixpk= 3622, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 905, 906,
 &end
#
#    79  ILE  HG1-   79  ILE  HA        4.5   (#  3624:20  Unique)
 &rst
  ixpk= 3624, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1177,1178,
 &end
#
#    58  ASP  HB-    59  LYS  HA        5.5   (#  3625:20  Unique)
 &rst
  ixpk= 3625, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 887, 888,
 &end
#
#    80  SER  HN     79  ILE  HA        2.8   (#  3626:20  Unique)
 &rst
  ixpk= 3626, nxpk= 20, iat=1186,1169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3627  79  ILE  HA        2.8   (#  3627:20  Single)
 &rst
  ixpk= 3627, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1177,1178,1173,1174,1175,
 &end
#
#     0  AMB  20-2:3628  79  ILE  HA        4.5   (#  3628:20  Single)
 &rst
  ixpk= 3628, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1171,1357,1358,1359,1361,1362,1363,
 &end
#
#    79  ILE  HN     79  ILE  HA        4.5   (#  3629:20  Unique)
 &rst
  ixpk= 3629, nxpk= 20, iat=1167,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    79  ILE  QD1    79  ILE  HA        4.5   (#  3632:20  Unique)
 &rst
  ixpk= 3632, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1180,1181,1182,
 &end
#
#     0  AMB  20-2:3639 107  GLU  HA        3.5   (#  3639:20  Single)
 &rst
  ixpk= 3639, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1660,1661,1654,1655,
 &end
#
#   107  GLU  HB+   107  GLU  HA        2.8   (#  3640:20  Unique)
 &rst
  ixpk= 3640, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1598,1599,
 &end
#
#   110  LYS  HD-   107  GLU  HA        3.5   (#  3642:20  Unique)
 &rst
  ixpk= 3642, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1660,1661,
 &end
#
#   107  GLU  HG+   107  GLU  HA        3.5   (#  3643:20  Unique)
 &rst
  ixpk= 3643, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#   110  LYS  HB-   107  GLU  HA        3.5   (#  3644:20  Unique)
 &rst
  ixpk= 3644, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#   107  GLU  HN    107  GLU  HA        3.5   (#  3645:20  Unique)
 &rst
  ixpk= 3645, nxpk= 20, iat=1594,1596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   110  LYS  HN    107  GLU  HA        4.5   (#  3646:20  Unique)
 &rst
  ixpk= 3646, nxpk= 20, iat=1650,1596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   107  GLU  HG-   107  GLU  HA        3.5   (#  3647:20  Unique)
 &rst
  ixpk= 3647, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#     0  AMB  20-2:3648 107  GLU  HA        5.5   (#  3648:20  Single)
 &rst
  ixpk= 3648, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1657,1658,1676,1677,1678,
 &end
#
#   106  THR  MG2   107  GLU  HA        5.5   (#  3649:20  Unique)
 &rst
  ixpk= 3649, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    79  ILE  QG2    88  ILE  HA        4.5   (#  3650:20  Unique)
 &rst
  ixpk= 3650, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1173,1174,1175,
 &end
#
#    88  ILE  QG2    88  ILE  HA        3.5   (#  3653:20  Unique)
 &rst
  ixpk= 3653, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1321,1322,1323,
 &end
#
#    44  VAL  MGX   105  SER  HA        5.5   (#  3658:20  Unique)
 &rst
  ixpk= 3658, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HN    105  SER  HA        3.5   (#  3659:20  Unique)
 &rst
  ixpk= 3659, nxpk= 20, iat=1569,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HB3   105  SER  HA        3.5   (#  3661:20  Unique)
 &rst
  ixpk= 3661, nxpk= 20, iat=1574,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HB2   105  SER  HA        3.5   (#  3662:20  Unique)
 &rst
  ixpk= 3662, nxpk= 20, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    44  VAL  MGY   105  SER  HA        3.5   (#  3663:20  Unique)
 &rst
  ixpk= 3663, 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
#
#   108  LYS  HB2   105  SER  HA        5.5   (#  3664:20  Unique)
 &rst
  ixpk= 3664, nxpk= 20, iat=1613,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   106  THR  HN    105  SER  HA        4.5   (#  3666:20  Unique)
 &rst
  ixpk= 3666, nxpk= 20, iat=1580,1571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3667 105  SER  HA        5.5   (#  3667:20  Single)
 &rst
  ixpk= 3667, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1609,1550,
 &end
#
#     0  AMB  20-2:3668 105  SER  HA        4.5   (#  3668:20  Single)
 &rst
  ixpk= 3668, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1616,1617,1619,1620,1614,
 &end
#
#     0  AMB  20-2:3669 105  SER  HA        4.5   (#  3669:20  Single)
 &rst
  ixpk= 3669, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,
 &end
#
#    24  LEU  MDY   105  SER  HA        4.5   (#  3670:20  Unique)
 &rst
  ixpk= 3670, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#    19  VAL  HN     19  VAL  HA        5.5   (#  3671:20  Unique)
 &rst
  ixpk= 3671, nxpk= 20, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    19  VAL  HB     19  VAL  HA        4.5   (#  3673:20  Unique)
 &rst
  ixpk= 3673, nxpk= 20, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    19  VAL  HN     19  VAL  HA        5.5   (#  3674:20  Unique)
 &rst
  ixpk= 3674, nxpk= 20, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    19  VAL  MG1    19  VAL  HA        3.5   (#  3676:20  Unique)
 &rst
  ixpk= 3676, nxpk= 20, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 257, 258, 259,
 &end
#
#    19  VAL  MG2    19  VAL  HA        3.5   (#  3677:20  Unique)
 &rst
  ixpk= 3677, nxpk= 20, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 261, 262, 263,
 &end
#
#    20  PHE  HN     19  VAL  HA        2.8   (#  3678:20  Unique)
 &rst
  ixpk= 3678, nxpk= 20, iat= 267, 253, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    88  ILE  HN    118  VAL  HA        5.5   (#  3683:20  Unique)
 &rst
  ixpk= 3683, nxpk= 20, iat=1315,1789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3684 118  VAL  HA        5.5   (#  3684:20  Single)
 &rst
  ixpk= 3684, 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
#
#   118  VAL  HB    118  VAL  HA        4.5   (#  3685:20  Unique)
 &rst
  ixpk= 3685, nxpk= 20, iat=1791,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3686 118  VAL  HA        2.8   (#  3686:20  Single)
 &rst
  ixpk= 3686, nxpk= 20, iat=  -1,1789, 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
#
#   119  THR  HN    118  VAL  HA        2.8   (#  3687:20  Unique)
 &rst
  ixpk= 3687, nxpk= 20, iat=1803,1789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3688 118  VAL  HA        5.5   (#  3688:20  Single)
 &rst
  ixpk= 3688, 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
#
#   125  TYR  HN    125  TYR  HA        4.5   (#  3689:20  Unique)
 &rst
  ixpk= 3689, nxpk= 20, iat=1884,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   125  TYR  HB-   125  TYR  HA        4.5   (#  3690:20  Unique)
 &rst
  ixpk= 3690, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1888,1889,
 &end
#
#   125  TYR  HD    125  TYR  HA        4.5   (#  3692:20  Unique)
 &rst
  ixpk= 3692, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1892,1901,
 &end
#
#   118  VAL  HN    118  VAL  HA        3.5   (#  3693:20  Unique)
 &rst
  ixpk= 3693, nxpk= 20, iat=1787,1789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   125  TYR  HB+   125  TYR  HA        3.5   (#  3695:20  Unique)
 &rst
  ixpk= 3695, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1888,1889,
 &end
#
#    93  TYR  HN    125  TYR  HA        4.5   (#  3696:20  Unique)
 &rst
  ixpk= 3696, nxpk= 20, iat=1395,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    45  ARG  HE     12  VAL  HA        4.5   (#  3698:20  Unique)
 &rst
  ixpk= 3698, nxpk= 20, iat= 673, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   125  TYR  HD    125  TYR  HA        4.5   (#  3699:20  Unique)
 &rst
  ixpk= 3699, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1892,1901,
 &end
#
#    13  ASP  HN     12  VAL  HA        2.8   (#  3701:20  Unique)
 &rst
  ixpk= 3701, nxpk= 20, iat= 178, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3702  12  VAL  HA        2.8   (#  3702:20  Single)
 &rst
  ixpk= 3702, 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  MGY    12  VAL  HA        4.5   (#  3704:20  Unique)
 &rst
  ixpk= 3704, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    44  VAL  HB     12  VAL  HA        2.8   (#  3705:20  Unique)
 &rst
  ixpk= 3705, nxpk= 20, iat= 648, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    12  VAL  MGY    12  VAL  HA        2.8   (#  3706:20  Unique)
 &rst
  ixpk= 3706, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  20-2:3708   0  AMB  20-1:3708     3.5   (#  3708:20  Double)
 &rst
  ixpk= 3708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 162,1351,
 igr2= 164,1353,
 &end
#
#     0  AMB  20-2:3710   0  AMB  20-1:3710     3.5   (#  3710:20  Double)
 &rst
  ixpk= 3710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 644,1186,
 igr2= 164,1353,
 &end
#
#    91  TYR  HD     90  VAL  HA        4.5   (#  3712:20  Unique)
 &rst
  ixpk= 3712, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1375,1384,
 &end
#
#   105  SER  HN    105  SER  HB2       4.5   (#  3713:20  Unique)
 &rst
  ixpk= 3713, nxpk= 20, iat=1569,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  HN     90  VAL  HA        4.5   (#  3714:20  Unique)
 &rst
  ixpk= 3714, nxpk= 20, iat=1351,1353, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  MGX    90  VAL  HA        3.5   (#  3715:20  Unique)
 &rst
  ixpk= 3715, 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
#
#   105  SER  HN    105  SER  HB3       5.5   (#  3716:20  Unique)
 &rst
  ixpk= 3716, nxpk= 20, iat=1569,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   105  SER  HA    105  SER  HB2       3.5   (#  3717:20  Unique)
 &rst
  ixpk= 3717, nxpk= 20, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    44  VAL  MGX   105  SER  HB3       5.5   (#  3718:20  Unique)
 &rst
  ixpk= 3718, 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
#
#    44  VAL  MGY   105  SER  HB2       4.5   (#  3719:20  Unique)
 &rst
  ixpk= 3719, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HA    105  SER  HB3       3.5   (#  3720:20  Unique)
 &rst
  ixpk= 3720, nxpk= 20, iat=1571,1574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   106  THR  HN    105  SER  HB2       4.5   (#  3721:20  Unique)
 &rst
  ixpk= 3721, nxpk= 20, iat=1580,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3722 105  SER  HB3       4.5   (#  3722:20  Single)
 &rst
  ixpk= 3722, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1357,1358,1359,1361,1362,1363,1641,1642,
 &end
#
#    44  VAL  MGY   105  SER  HB2       5.5   (#  3724:20  Unique)
 &rst
  ixpk= 3724, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    44  VAL  MGX   105  SER  HB3       5.5   (#  3725:20  Unique)
 &rst
  ixpk= 3725, 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
#
#    91  TYR  HN     90  VAL  HA        2.8   (#  3726:20  Unique)
 &rst
  ixpk= 3726, nxpk= 20, iat=1367,1353, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  20-2:3727  90  VAL  HA        4.5   (#  3727:20  Single)
 &rst
  ixpk= 3727, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1177,1178,1173,1174,1175,
 &end
#
#    44  VAL  MGY   105  SER  HB3       4.5   (#  3728:20  Unique)
 &rst
  ixpk= 3728, 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
#
#   102  HIS  HA    105  SER  HB2       4.5   (#  3730:20  Unique)
 &rst
  ixpk= 3730, nxpk= 20, iat=1525,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  MGX   105  SER  HB2       5.5   (#  3731:20  Unique)
 &rst
  ixpk= 3731, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  MGX   105  SER  HB2       5.5   (#  3735:20  Unique)
 &rst
  ixpk= 3735, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  20-2:3737 105  SER  HB3       5.5   (#  3737:20  Single)
 &rst
  ixpk= 3737, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355, 356, 357, 359, 360, 361,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   106  THR  HN    105  SER  HB3       4.5   (#  3738:20  Unique)
 &rst
  ixpk= 3738, nxpk= 20, iat=1580,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    90  VAL  MGY    90  VAL  HA        3.5   (#  3739:20  Unique)
 &rst
  ixpk= 3739, 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
#
#   109  ILE  QD1   105  SER  HB3       4.5   (#  3740:20  Unique)
 &rst
  ixpk= 3740, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#   102  HIS  HA    105  SER  HB3       4.5   (#  3741:20  Unique)
 &rst
  ixpk= 3741, nxpk= 20, iat=1525,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   102  HIS  HD2   105  SER  HB3       5.5   (#  3742:20  Unique)
 &rst
  ixpk= 3742, nxpk= 20, iat=1536,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3743 105  SER  HB2       5.5   (#  3743:20  Single)
 &rst
  ixpk= 3743, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1500,1501,1502,1556,1557,1558,1637,1638,1639,
 &end
#
#     0  AMB  20-2:3747  61  SER  HA        5.5   (#  3747:20  Single)
 &rst
  ixpk= 3747, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 970, 971, 987, 988,
 &end
#
#    64  MET  HN     61  SER  HA        4.5   (#  3749:20  Unique)
 &rst
  ixpk= 3749, nxpk= 20, iat= 963, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    61  SER  HA     64  MET  HB3        5.5   (#  3750:20)
 &rst
  ixpk= 3750, nxpk= 20, iat= 935, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3752   3  VAL  HA        4.5   (#  3752:20  Single)
 &rst
  ixpk= 3752, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,  25,  26,  27,
 &end
#
#     2  ALA  HA      3  VAL  HA        5.5   (#  3754:20  Unique)
 &rst
  ixpk= 3754, nxpk= 20, iat=  23,  33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:3756   3  VAL  HA        2.8   (#  3756:20  Single)
 &rst
  ixpk= 3756, nxpk= 20, iat=  -1,  33, 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  HA        2.8   (#  3757:20  Unique)
 &rst
  ixpk= 3757, nxpk= 20, iat=  47,  33, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     3  VAL  HB      3  VAL  HA        3.5   (#  3758:20  Unique)
 &rst
  ixpk= 3758, nxpk= 20, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HB2    61  SER  HA        3.5   (#  3759:20  Unique)
 &rst
  ixpk= 3759, nxpk= 20, iat= 967, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3760  61  SER  HA        5.5   (#  3760:20  Single)
 &rst
  ixpk= 3760, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 970, 971, 987, 988,
 &end
#
#     3  VAL  HN      3  VAL  HA        4.5   (#  3761:20  Unique)
 &rst
  ixpk= 3761, nxpk= 20, iat=  31,  33, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    61  SER  HN     61  SER  HA        3.5   (#  3763:20  Unique)
 &rst
  ixpk= 3763, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    71  CYS  HB2    61  SER  HA        5.5   (#  3766:20  Unique)
 &rst
  ixpk= 3766, nxpk= 20, iat=1070, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    61  SER  HB+    61  SER  HA        3.5   (#  3769:20  Unique)
 &rst
  ixpk= 3769, 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   (#  3770:20  Unique)
 &rst
  ixpk= 3770, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#     0  AMB  20-2:3772  61  SER  HB-       3.5   (#  3772:20  Single)
 &rst
  ixpk= 3772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 885,
 igr2= 937, 938,
 &end
#
#     0  AMB  20-2:3773   0  AMB  20-1:3773     2.8   (#  3773:20  Double)
 &rst
  ixpk= 3773, 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
#
#    62  GLY  HN     61  SER  HB+       5.5   (#  3774:20  Unique)
 &rst
  ixpk= 3774, 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   (#  3776:20  Unique)
 &rst
  ixpk= 3776, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#    61  SER  HN     61  SER  HB-       3.5   (#  3778:20  Unique)
 &rst
  ixpk= 3778, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#    61  SER  HN     61  SER  HB+       4.5   (#  3779:20  Unique)
 &rst
  ixpk= 3779, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#    71  CYS  HB2    61  SER  HB-       5.5   (#  3781:20  Unique)
 &rst
  ixpk= 3781, 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+       5.5   (#  3783:20  Unique)
 &rst
  ixpk= 3783, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   100  ALA  HN     99  PRO  HA        2.8   (#  3785:20  Unique)
 &rst
  ixpk= 3785, nxpk= 20, iat=1496,1492, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    99  PRO  HB+    99  PRO  HA        3.5   (#  3787:20  Unique)
 &rst
  ixpk= 3787, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1489,1490,
 &end
#
#    99  PRO  HB-    99  PRO  HA        4.5   (#  3790:20  Unique)
 &rst
  ixpk= 3790, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1489,1490,
 &end
#
#    93  TYR  HB+    99  PRO  HA        4.5   (#  3791:20  Unique)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1399,1400,
 &end
#
#   100  ALA  MB     99  PRO  HA        5.5   (#  3792:20  Unique)
 &rst
  ixpk= 3792, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1500,1501,1502,
 &end
#
#    93  TYR  HA     99  PRO  HA        3.5   (#  3794:20  Unique)
 &rst
  ixpk= 3794, nxpk= 20, iat=1397,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3795  99  PRO  HA        4.5   (#  3795:20  Single)
 &rst
  ixpk= 3795, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1129,1395,
 &end
#
#    10  PRO  HD-    10  PRO  HA        5.5   (#  3800:20  Unique)
 &rst
  ixpk= 3800, nxpk= 20, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 138,
 &end
#
#    10  PRO  HB-    10  PRO  HA        2.8   (#  3804:20  Unique)
 &rst
  ixpk= 3804, nxpk= 20, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 143, 144,
 &end
#
#    10  PRO  HA     10  PRO  HB+        7.0   (#  3805:20)
 &rst
  ixpk= 3805, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 143, 144,
 &end
#
#    10  PRO  HD+    10  PRO  HA        5.5   (#  3806:20  Unique)
 &rst
  ixpk= 3806, nxpk= 20, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 138,
 &end
#
#    83  SER  HA     83  SER  HB+       2.8   (#  3807:20  Unique)
 &rst
  ixpk= 3807, nxpk= 20, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1235,1236,
 &end
#
#    57  TYR  HE     57  TYR  HA        5.5   (#  3810:20  Unique)
 &rst
  ixpk= 3810, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#    32  ARG  HN     31  PRO  HA        2.8   (#  3812:20  Unique)
 &rst
  ixpk= 3812, nxpk= 20, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    60  VAL  HB     57  TYR  HA        3.5   (#  3813:20  Unique)
 &rst
  ixpk= 3813, nxpk= 20, iat= 921, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3814  57  TYR  HA        3.5   (#  3814:20  Single)
 &rst
  ixpk= 3814, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 867, 937, 938,
 &end
#
#    57  TYR  HB2    57  TYR  HA        3.5   (#  3816:20  Unique)
 &rst
  ixpk= 3816, nxpk= 20, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  HN     57  TYR  HA        5.5   (#  3817:20  Unique)
 &rst
  ixpk= 3817, nxpk= 20, iat= 917, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    61  SER  HN     57  TYR  HA        4.5   (#  3818:20  Unique)
 &rst
  ixpk= 3818, nxpk= 20, iat= 933, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HD     57  TYR  HA        3.5   (#  3819:20  Unique)
 &rst
  ixpk= 3819, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#     0  AMB  20-2:3820  57  TYR  HA        2.8   (#  3820:20  Single)
 &rst
  ixpk= 3820, 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
#
#     0  AMB  20-2:3821  57  TYR  HA        5.5   (#  3821:20  Single)
 &rst
  ixpk= 3821, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 334,
 &end
#
#    10  PRO  HA     10  PRO  HD-        7.0   (#  3822:20)
 &rst
  ixpk= 3822, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 137, 138,
 &end
#
#    57  TYR  HN     57  TYR  HA        3.5   (#  3823:20  Unique)
 &rst
  ixpk= 3823, nxpk= 20, iat= 862, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    58  ASP  HN     57  TYR  HA        4.5   (#  3825:20  Unique)
 &rst
  ixpk= 3825, nxpk= 20, iat= 883, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     4  ALA  HN     31  PRO  HA        4.5   (#  3829:20  Unique)
 &rst
  ixpk= 3829, nxpk= 20, iat=  47, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:3830   0  AMB  20-1:3830     3.5   (#  3830:20  Double)
 &rst
  ixpk= 3830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 466, 467, 140, 141,
 igr2= 472, 146,
 &end
#
#     0  AMB  20-2:3832   0  AMB  20-1:3832     4.5   (#  3832:20  Double)
 &rst
  ixpk= 3832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 463, 464, 529, 530,
 igr2= 472, 538,
 &end
#
#    60  VAL  MGY    57  TYR  HA        5.5   (#  3835:20  Unique)
 &rst
  ixpk= 3835, 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
#
#     0  AMB  20-2:3836   0  AMB  20-1:3836     2.8   (#  3836:20  Double)
 &rst
  ixpk= 3836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 535, 536, 469, 470,
 igr2= 538, 472,
 &end
#
#     0  AMB  20-2:3837   0  AMB  20-1:3837     2.8   (#  3837:20  Double)
 &rst
  ixpk= 3837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 535, 536, 469, 470,
 igr2= 538, 472,
 &end
#
#    37  ALA  HN     36  PRO  HA        3.5   (#  3838:20  Unique)
 &rst
  ixpk= 3838, nxpk= 20, iat= 542, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3840   0  AMB  20-1:3840     4.5   (#  3840:20  Double)
 &rst
  ixpk= 3840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 522, 523, 524, 456, 457, 458, 546, 547, 548,
 igr2= 472, 538,
 &end
#
#     0  AMB  20-2:3841   0  AMB  20-1:3841     4.5   (#  3841:20  Double)
 &rst
  ixpk= 3841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 463, 464, 529, 530,
 igr2= 472, 538,
 &end
#
#    94  SER  HN     94  SER  HB+       5.5   (#  3844:20  Unique)
 &rst
  ixpk= 3844, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1420,1421,
 &end
#
#    37  ALA  HN     36  PRO  HA        3.5   (#  3845:20  Unique)
 &rst
  ixpk= 3845, nxpk= 20, iat= 542, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:3847  94  SER  HB-       5.5   (#  3847:20  Single)
 &rst
  ixpk= 3847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,1448,1449,1450,
 igr2=1420,1421,
 &end
#
#    80  SER  HN     80  SER  HB+       5.5   (#  3848:20  Unique)
 &rst
  ixpk= 3848, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1190,1191,
 &end
#
#     0  AMB  20-2:3850  80  SER  HB-       4.5   (#  3850:20  Single)
 &rst
  ixpk= 3850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1377,1382,1210,
 igr2=1190,1191,
 &end
#
#   107  GLU  HG-   104  ILE  HA        5.5   (#  3851:20  Unique)
 &rst
  ixpk= 3851, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#    89  HIS  HB+    80  SER  HB-       5.5   (#  3852:20  Unique)
 &rst
  ixpk= 3852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1338,1339,
 igr2=1190,1191,
 &end
#
#    19  VAL  MG2    80  SER  HB+       5.5   (#  3853:20  Unique)
 &rst
  ixpk= 3853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262, 263,
 igr2=1190,1191,
 &end
#
#    19  VAL  MG2    80  SER  HB-       4.5   (#  3854:20  Unique)
 &rst
  ixpk= 3854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262, 263,
 igr2=1190,1191,
 &end
#
#    80  SER  HN     80  SER  HB+       5.5   (#  3857:20  Unique)
 &rst
  ixpk= 3857, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1190,1191,
 &end
#
#    94  SER  HA     94  SER  HB-       4.5   (#  3858:20  Unique)
 &rst
  ixpk= 3858, nxpk= 20, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1420,1421,
 &end
#
#   107  GLU  HB+   104  ILE  HA        3.5   (#  3860:20  Unique)
 &rst
  ixpk= 3860, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1598,1599,
 &end
#
#     0  AMB  20-2:3864 104  ILE  HA        4.5   (#  3864:20  Single)
 &rst
  ixpk= 3864, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1544,1545,1546, 355, 356, 357, 359, 360, 361,
 &end
#
#    31  PRO  HD-    29  SER  HB+       3.5   (#  3869:20  Unique)
 &rst
  ixpk= 3869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 463, 464,
 igr2= 445, 446,
 &end
#
#    80  SER  HN     80  SER  HB-       4.5   (#  3871:20  Unique)
 &rst
  ixpk= 3871, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1190,1191,
 &end
#
#     0  AMB  20-2:3872 104  ILE  HA        2.8   (#  3872:20  Single)
 &rst
  ixpk= 3872, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1563,1564,1565,1556,1557,1558,
 &end
#
#     0  AMB  20-2:3873 104  ILE  HA        4.5   (#  3873:20  Single)
 &rst
  ixpk= 3873, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1594,1609,
 &end
#
#   104  ILE  HG1+  104  ILE  HA        3.5   (#  3875:20  Unique)
 &rst
  ixpk= 3875, 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        3.5   (#  3876:20  Unique)
 &rst
  ixpk= 3876, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#   104  ILE  HN    104  ILE  HA        3.5   (#  3877:20  Unique)
 &rst
  ixpk= 3877, nxpk= 20, iat=1550,1552, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    89  HIS  HB+    80  SER  HB+       4.5   (#  3878:20  Unique)
 &rst
  ixpk= 3878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1338,1339,
 igr2=1190,1191,
 &end
#
#   104  ILE  HB    104  ILE  HA        3.5   (#  3879:20  Unique)
 &rst
  ixpk= 3879, nxpk= 20, iat=1554,1552, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HN    104  ILE  HA        4.5   (#  3880:20  Unique)
 &rst
  ixpk= 3880, nxpk= 20, iat=1569,1552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HB-    94  SER  HB+       5.5   (#  3884:20  Unique)
 &rst
  ixpk= 3884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1420,1421,
 &end
#
#     0  AMB  20-2:3886  94  SER  HB-       5.5   (#  3886:20  Single)
 &rst
  ixpk= 3886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 806,1483,1484,
 igr2=1420,1421,
 &end
#
#     0  AMB  20-2:3888  94  SER  HB-       5.5   (#  3888:20  Single)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1454,1129,
 igr2=1420,1421,
 &end
#
#   103  ALA  MB    104  ILE  HA        4.5   (#  3892:20  Unique)
 &rst
  ixpk= 3892, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1544,1545,1546,
 &end
#
#     0  AMB  20-2:3894   0  AMB  20-1:3894     5.5   (#  3894:20  Double)
 &rst
  ixpk= 3894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1377,1382,1210,
 igr2=1190,1191,1190,1191,
 &end
#
#   107  GLU  HG+   104  ILE  HA        5.5   (#  3895:20  Unique)
 &rst
  ixpk= 3895, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#     6  LEU  HG     29  SER  HB+       5.5   (#  3896:20  Unique)
 &rst
  ixpk= 3896, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#    38  ALA  HA     29  SER  HB-       4.5   (#  3900:20  Unique)
 &rst
  ixpk= 3900, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 446,
 &end
#
#     0  AMB  20-2:3904  29  SER  HB-       5.5   (#  3904:20  Single)
 &rst
  ixpk= 3904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 566, 567, 469, 470,
 igr2= 445, 446,
 &end
#
#    29  SER  HN     29  SER  HB+       4.5   (#  3907:20  Unique)
 &rst
  ixpk= 3907, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 446,
 &end
#
#    35  ALA  MB     29  SER  HB-       4.5   (#  3908:20  Unique)
 &rst
  ixpk= 3908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 522, 523, 524,
 igr2= 445, 446,
 &end
#
#    29  SER  HA     29  SER  HB+       3.5   (#  3909:20  Unique)
 &rst
  ixpk= 3909, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 445, 446,
 &end
#
#    35  ALA  MB     29  SER  HB+       5.5   (#  3910:20  Unique)
 &rst
  ixpk= 3910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 522, 523, 524,
 igr2= 445, 446,
 &end
#
#    29  SER  HA     29  SER  HB-       3.5   (#  3911:20  Unique)
 &rst
  ixpk= 3911, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 445, 446,
 &end
#
#     6  LEU  MDY    29  SER  HB+       5.5   (#  3912:20  Unique)
 &rst
  ixpk= 3912, 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
#
#    30  ALA  HN     29  SER  HB+       5.5   (#  3914:20  Unique)
 &rst
  ixpk= 3914, nxpk= 20, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#     6  LEU  HG     29  SER  HB-       4.5   (#  3915:20  Unique)
 &rst
  ixpk= 3915, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 446,
 &end
#
#     6  LEU  MDX    29  SER  HB+       5.5   (#  3917:20  Unique)
 &rst
  ixpk= 3917, 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
#
#     6  LEU  MDX    29  SER  HB-       4.5   (#  3919:20  Unique)
 &rst
  ixpk= 3919, 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    29  SER  HB-       3.5   (#  3921:20  Unique)
 &rst
  ixpk= 3921, 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= 445, 446,
 &end
#
#    38  ALA  HA     29  SER  HB+       5.5   (#  3922:20  Unique)
 &rst
  ixpk= 3922, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#    30  ALA  HN     29  SER  HB-       5.5   (#  3928:20  Unique)
 &rst
  ixpk= 3928, nxpk= 20, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#    53  HIS  HB-    53  HIS  HA        3.5   (#  3929:20  Unique)
 &rst
  ixpk= 3929, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 808, 809,
 &end
#
#     0  AMB  20-2:3935  53  HIS  HA        3.5   (#  3935:20  Single)
 &rst
  ixpk= 3935, nxpk= 20, iat=  -1, 806, 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
#
#     0  AMB  20-2:3937  53  HIS  HA        4.5   (#  3937:20  Single)
 &rst
  ixpk= 3937, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 843, 831,
 &end
#
#    53  HIS  HB+    53  HIS  HA        4.5   (#  3938:20  Unique)
 &rst
  ixpk= 3938, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#     0  AMB  20-2:3940  53  HIS  HA        5.5   (#  3940:20  Single)
 &rst
  ixpk= 3940, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 847,1420,1421, 334,
 &end
#
#    56  ILE  HG1+   53  HIS  HA        5.5   (#  3941:20  Unique)
 &rst
  ixpk= 3941, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#    68  GLY  HA+    33  SER  HB+       5.5   (#  3943:20  Unique)
 &rst
  ixpk= 3943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1038,1039,
 igr2= 504, 505,
 &end
#
#    68  GLY  HA+    33  SER  HB-       5.5   (#  3945:20  Unique)
 &rst
  ixpk= 3945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1038,1039,
 igr2= 504, 505,
 &end
#
#    33  SER  HA     33  SER  HB+       3.5   (#  3946:20  Unique)
 &rst
  ixpk= 3946, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 504, 505,
 &end
#
#    33  SER  HA     33  SER  HB-       4.5   (#  3947:20  Unique)
 &rst
  ixpk= 3947, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 504, 505,
 &end
#
#    59  LYS  HG+    56  ILE  HA        5.5   (#  3950:20  Unique)
 &rst
  ixpk= 3950, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 903,
 &end
#
#    56  ILE  HG1+   56  ILE  HA        3.5   (#  3951:20  Unique)
 &rst
  ixpk= 3951, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 853, 854,
 &end
#
#     0  AMB  20-2:3953  56  ILE  HA        2.8   (#  3953:20  Single)
 &rst
  ixpk= 3953, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929,
 &end
#
#    56  ILE  HB     56  ILE  HA        4.5   (#  3954:20  Unique)
 &rst
  ixpk= 3954, nxpk= 20, iat= 847, 845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    56  ILE  HN     56  ILE  HA        3.5   (#  3955:20  Unique)
 &rst
  ixpk= 3955, nxpk= 20, iat= 843, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    59  LYS  HB+    56  ILE  HA        3.5   (#  3956:20  Unique)
 &rst
  ixpk= 3956, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#     0  AMB  20-2:3957  56  ILE  HA        4.5   (#  3957:20  Single)
 &rst
  ixpk= 3957, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 378, 379, 380,
 &end
#
#     0  AMB  20-2:3958  56  ILE  HA        3.5   (#  3958:20  Single)
 &rst
  ixpk= 3958, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 853, 854, 905, 906,
 &end
#
#    49  TRP  HH2    56  ILE  HA        3.5   (#  3959:20  Unique)
 &rst
  ixpk= 3959, nxpk= 20, iat= 749, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   101  GLN  HG+   104  ILE  QD1       5.5   (#  3974:20  Unique)
 &rst
  ixpk= 3974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1513,1514,
 igr2=1563,1564,1565,
 &end
#
#   101  GLN  HG-   104  ILE  QD1       3.5   (#  3975:20  Unique)
 &rst
  ixpk= 3975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1513,1514,
 igr2=1563,1564,1565,
 &end
#
#    24  LEU  HG    104  ILE  QD1       4.5   (#  3977:20  Unique)
 &rst
  ixpk= 3977, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:3979 104  ILE  QD1       3.5   (#  3979:20  Single)
 &rst
  ixpk= 3979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 igr2=1563,1564,1565,
 &end
#
#   104  ILE  HN    104  ILE  QD1       3.5   (#  3980:20  Unique)
 &rst
  ixpk= 3980, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1563,1564,1565,
 &end
#
#   101  GLN  HE2-  104  ILE  QD1       5.5   (#  3981:20  Unique)
 &rst
  ixpk= 3981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1518,1519,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:3982 104  ILE  QD1       4.5   (#  3982:20  Single)
 &rst
  ixpk= 3982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 614, 615, 350, 351,
 igr2=1563,1564,1565,
 &end
#
#     0  AMB  20-2:3983 104  ILE  QD1       2.8   (#  3983:20  Single)
 &rst
  ixpk= 3983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1510,1511, 617, 618,1554,
 igr2=1563,1564,1565,
 &end
#
#   104  ILE  HG1+  104  ILE  QD1       2.8   (#  3984:20  Unique)
 &rst
  ixpk= 3984, 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
#
#   104  ILE  HA    104  ILE  QD1       4.5   (#  3985:20  Unique)
 &rst
  ixpk= 3985, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1563,1564,1565,
 &end
#
#   101  GLN  HB-   104  ILE  QD1       3.5   (#  3987:20  Unique)
 &rst
  ixpk= 3987, 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
#
#   104  ILE  HG1-  104  ILE  QD1       2.8   (#  3988:20  Unique)
 &rst
  ixpk= 3988, 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
#
#   105  SER  HN    104  ILE  QD1       5.5   (#  3989:20  Unique)
 &rst
  ixpk= 3989, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1563,1564,1565,
 &end
#
#    25  ILE  QD1    60  VAL  HA        5.5   (#  3995:20  Unique)
 &rst
  ixpk= 3995, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 378, 379, 380,
 &end
#
#    60  VAL  HB     60  VAL  HA        3.5   (#  3996:20  Unique)
 &rst
  ixpk= 3996, nxpk= 20, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  HN     60  VAL  HA        3.5   (#  3997:20  Unique)
 &rst
  ixpk= 3997, nxpk= 20, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    59  LYS  HG+    60  VAL  HA        4.5   (#  3998:20  Unique)
 &rst
  ixpk= 3998, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
#    63  ASP  HN     60  VAL  HA        3.5   (#  3999:20  Unique)
 &rst
  ixpk= 3999, nxpk= 20, iat= 951, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:4000  60  VAL  HA        3.5   (#  4000:20  Single)
 &rst
  ixpk= 4000, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 955, 970, 971,
 &end
#
#    60  VAL  MGX    60  VAL  HA        2.8   (#  4001:20  Unique)
 &rst
  ixpk= 4001, 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
#
#    60  VAL  MGY    60  VAL  HA        2.8   (#  4002:20  Unique)
 &rst
  ixpk= 4002, 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   (#  4004:20  Unique)
 &rst
  ixpk= 4004, nxpk= 20, iat= 956, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    44  VAL  HN     43  ILE  QD1       5.5   (#  4005:20  Unique)
 &rst
  ixpk= 4005, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 638, 639, 640,
 &end
#
#    45  ARG  HE     43  ILE  QD1       4.5   (#  4006:20  Unique)
 &rst
  ixpk= 4006, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:4007  60  VAL  HA        4.5   (#  4007:20  Single)
 &rst
  ixpk= 4007, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 667, 668, 905, 906, 968,
 &end
#
#    61  SER  HN     60  VAL  HA        5.5   (#  4008:20  Unique)
 &rst
  ixpk= 4008, nxpk= 20, iat= 933, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  HN     43  ILE  QD1       4.5   (#  4009:20  Unique)
 &rst
  ixpk= 4009, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:4010  43  ILE  QD1       2.8   (#  4010:20  Single)
 &rst
  ixpk= 4010, 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
#
#    64  MET  HN     60  VAL  HA        5.5   (#  4011:20  Unique)
 &rst
  ixpk= 4011, nxpk= 20, iat= 963, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:4013  43  ILE  QD1       4.5   (#  4013:20  Single)
 &rst
  ixpk= 4013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 412, 121,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:4014  43  ILE  QD1       2.8   (#  4014:20  Single)
 &rst
  ixpk= 4014, 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  20-2:4015  43  ILE  QD1       2.8   (#  4015:20  Single)
 &rst
  ixpk= 4015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 629, 974, 975, 976,
 igr2= 638, 639, 640,
 &end
#
#    43  ILE  HG1+   43  ILE  QD1       2.8   (#  4016:20  Unique)
 &rst
  ixpk= 4016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 635, 636,
 igr2= 638, 639, 640,
 &end
#
#    43  ILE  HG1-   43  ILE  QD1       3.5   (#  4017:20  Unique)
 &rst
  ixpk= 4017, 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
#
#    43  ILE  HA     43  ILE  QD1       4.5   (#  4018:20  Unique)
 &rst
  ixpk= 4018, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:4019  43  ILE  QD1       3.5   (#  4019:20  Single)
 &rst
  ixpk= 4019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 369, 667, 668, 598, 599,
 igr2= 638, 639, 640,
 &end
#
#     0  AMB  20-2:4020  43  ILE  QD1       5.5   (#  4020:20  Single)
 &rst
  ixpk= 4020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 365, 408,
 igr2= 638, 639, 640,
 &end
#
#   109  ILE  HN    109  ILE  HA        4.5   (#  4023:20  Unique)
 &rst
  ixpk= 4023, nxpk= 20, iat=1631,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  20-2:4024 109  ILE  HA        3.5   (#  4024:20  Single)
 &rst
  ixpk= 4024, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1686,1687,1635,
 &end
#
#   112  LYS  HN    109  ILE  HA        5.5   (#  4025:20  Unique)
 &rst
  ixpk= 4025, nxpk= 20, iat=1682,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   109  ILE  HG1-  109  ILE  HA        3.5   (#  4027:20  Unique)
 &rst
  ixpk= 4027, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1641,1642,
 &end
#
#     0  AMB  20-2:4028 109  ILE  HA        2.8   (#  4028:20  Single)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 &end
#
#     0  AMB  20-2:4029 109  ILE  HA        3.5   (#  4029:20  Single)
 &rst
  ixpk= 4029, nxpk= 20, iat=  -1,1633, 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  HG1+  109  ILE  HA        3.5   (#  4030:20  Unique)
 &rst
  ixpk= 4030, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1641,1642,
 &end
#
#    26  ARG  HD+    40  SER  HB2       5.5   (#  4032:20  Unique)
 &rst
  ixpk= 4032, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 394, 395,
 &end
#
#     0  AMB  20-2:4033  79  ILE  QD1       5.5   (#  4033:20  Single)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 650, 651, 652, 654, 655, 656, 200, 201,1793,1794,
      1795,1797,1798,1799,
 igr2=1180,1181,1182,
 &end
#
#    26  ARG  HG-    40  SER  HB2       5.5   (#  4035:20  Unique)
 &rst
  ixpk= 4035, 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  HB3       5.5   (#  4036:20  Unique)
 &rst
  ixpk= 4036, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    41  LYS  HN     40  SER  HB2       3.5   (#  4037:20  Unique)
 &rst
  ixpk= 4037, nxpk= 20, iat= 588, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    26  ARG  HG+    40  SER  HB2       5.5   (#  4039:20  Unique)
 &rst
  ixpk= 4039, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    79  ILE  HG1-   79  ILE  QD1       2.8   (#  4042:20  Unique)
 &rst
  ixpk= 4042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1177,1178,
 igr2=1180,1181,1182,
 &end
#
#     0  AMB  20-2:4045  79  ILE  QD1       4.5   (#  4045:20  Single)
 &rst
  ixpk= 4045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799, 168, 169, 170, 172, 173, 174, 856, 857,
       858,
 igr2=1180,1181,1182,
 &end
#
#    41  LYS  HN     40  SER  HB3       3.5   (#  4046:20  Unique)
 &rst
  ixpk= 4046, nxpk= 20, iat= 588, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:4048  40  SER  HB2       4.5   (#  4048:20  Single)
 &rst
  ixpk= 4048, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 386,
 &end
#
#    26  ARG  HG-    40  SER  HB2       4.5   (#  4049:20  Unique)
 &rst
  ixpk= 4049, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#    22  TYR  HD     79  ILE  QD1       4.5   (#  4050:20  Unique)
 &rst
  ixpk= 4050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 317, 326,
 igr2=1180,1181,1182,
 &end
#
#     0  AMB  20-2:4051  79  ILE  QD1       3.5   (#  4051:20  Single)
 &rst
  ixpk= 4051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 203, 204, 205,1357,1358,1359,1361,1362,1363,
 igr2=1180,1181,1182,
 &end
#
#    28  HIS  HA     40  SER  HB3       3.5   (#  4053:20  Unique)
 &rst
  ixpk= 4053, nxpk= 20, iat= 426, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HA     40  SER  HB3       3.5   (#  4054:20  Unique)
 &rst
  ixpk= 4054, nxpk= 20, iat= 579, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    40  SER  HA     40  SER  HB2       3.5   (#  4055:20  Unique)
 &rst
  ixpk= 4055, nxpk= 20, iat= 579, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:4056  79  ILE  QD1       2.8   (#  4056:20  Single)
 &rst
  ixpk= 4056, 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
#
#    29  SER  HN     40  SER  HB3       5.5   (#  4057:20  Unique)
 &rst
  ixpk= 4057, nxpk= 20, iat= 441, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    22  TYR  HB-    79  ILE  QD1       4.5   (#  4058:20  Unique)
 &rst
  ixpk= 4058, 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
#
#    40  SER  HN     40  SER  HB2       5.5   (#  4059:20  Unique)
 &rst
  ixpk= 4059, nxpk= 20, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    26  ARG  HG+    40  SER  HB3       5.5   (#  4060:20  Unique)
 &rst
  ixpk= 4060, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#     0  AMB  20-2:4061  79  ILE  QD1       4.5   (#  4061:20  Single)
 &rst
  ixpk= 4061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 686, 687,1169,
 igr2=1180,1181,1182,
 &end
#
#    26  ARG  HD+    40  SER  HB2       4.5   (#  4062:20  Unique)
 &rst
  ixpk= 4062, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 394, 395,
 &end
#
#   109  ILE  QD1   109  ILE  HA        4.5   (#  4063:20  Unique)
 &rst
  ixpk= 4063, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#    22  TYR  HB+    79  ILE  QD1       4.5   (#  4064:20  Unique)
 &rst
  ixpk= 4064, 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
#
#    26  ARG  HD+    40  SER  HB3       3.5   (#  4065:20  Unique)
 &rst
  ixpk= 4065, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 394, 395,
 &end
#
#    40  SER  HN     40  SER  HB3       4.5   (#  4066:20  Unique)
 &rst
  ixpk= 4066, nxpk= 20, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    79  ILE  HN     79  ILE  QD1       5.5   (#  4067:20  Unique)
 &rst
  ixpk= 4067, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1180,1181,1182,
 &end
#
#    26  ARG  HG+    40  SER  HB2       5.5   (#  4068:20  Unique)
 &rst
  ixpk= 4068, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#     0  AMB  20-2:4072  14  ILE  QD1       4.5   (#  4072:20  Single)
 &rst
  ixpk= 4072, 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= 203, 204, 205,
 &end
#
#   109  ILE  QG2    14  ILE  QD1       3.5   (#  4073:20  Unique)
 &rst
  ixpk= 4073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1637,1638,1639,
 igr2= 203, 204, 205,
 &end
#
#    14  ILE  HG1+   14  ILE  QD1       4.5   (#  4074:20  Unique)
 &rst
  ixpk= 4074, 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
#
#     0  AMB  20-2:4075  14  ILE  QD1       3.5   (#  4075:20  Single)
 &rst
  ixpk= 4075, 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
#
#    90  VAL  MGY   106  THR  HA        5.5   (#  4080:20  Unique)
 &rst
  ixpk= 4080, 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  20-2:4081 106  THR  HA        3.5   (#  4081:20  Single)
 &rst
  ixpk= 4081, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1635,1657,1658,1660,1661,
 &end
#
#   109  ILE  HN    106  THR  HA        4.5   (#  4082:20  Unique)
 &rst
  ixpk= 4082, nxpk= 20, iat=1631,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   106  THR  HN    106  THR  HA        3.5   (#  4083:20  Unique)
 &rst
  ixpk= 4083, nxpk= 20, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   109  ILE  QD1   106  THR  HA        4.5   (#  4084:20  Unique)
 &rst
  ixpk= 4084, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#   106  THR  MG2   106  THR  HA        3.5   (#  4085:20  Unique)
 &rst
  ixpk= 4085, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#   118  VAL  MGX   106  THR  HA        3.5   (#  4086:20  Unique)
 &rst
  ixpk= 4086, 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  HB    109  ILE  QD1       3.5   (#  4087:20  Unique)
 &rst
  ixpk= 4087, nxpk= 20, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1644,1645,1646,
 &end
#
#     0  AMB  20-2:4088 106  THR  HA        5.5   (#  4088:20  Single)
 &rst
  ixpk= 4088, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1594,1609,
 &end
#
#   106  THR  HB    106  THR  HA        3.5   (#  4091:20  Unique)
 &rst
  ixpk= 4091, nxpk= 20, iat=1584,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  20-2:4092 109  ILE  QD1       3.5   (#  4092:20  Single)
 &rst
  ixpk= 4092, 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
#
#     0  AMB  20-2:4093 109  ILE  QD1       2.8   (#  4093:20  Single)
 &rst
  ixpk= 4093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1641,1642,1357,1358,1359,1361,1362,1363,
 igr2=1644,1645,1646,
 &end
#
#    79  ILE  QD1   109  ILE  QD1       3.5   (#  4094:20  Unique)
 &rst
  ixpk= 4094, 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
#
#   109  ILE  HG1+  109  ILE  QD1       2.8   (#  4095:20  Unique)
 &rst
  ixpk= 4095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1641,1642,
 igr2=1644,1645,1646,
 &end
#
#     0  AMB  20-2:4096 106  THR  HA        5.5   (#  4096:20  Single)
 &rst
  ixpk= 4096, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1641,1642,1654,1655,
 &end
#
#     0  AMB  20-2:4097 109  ILE  QD1       3.5   (#  4097:20  Single)
 &rst
  ixpk= 4097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1582,1633,
 igr2=1644,1645,1646,
 &end
#
#   109  ILE  HN    109  ILE  QD1       4.5   (#  4098:20  Unique)
 &rst
  ixpk= 4098, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1644,1645,1646,
 &end
#
#   105  SER  HB2   109  ILE  QD1       5.5   (#  4099:20  Unique)
 &rst
  ixpk= 4099, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1644,1645,1646,
 &end
#
#     0  AMB  20-2:4101   9  ILE  QD1       4.5   (#  4101:20  Single)
 &rst
  ixpk= 4101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1047,1024,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:4102   9  ILE  QD1       5.5   (#  4102:20  Single)
 &rst
  ixpk= 4102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 601, 602,1048,
 igr2= 130, 131, 132,
 &end
#
#     6  LEU  MDY     9  ILE  QD1       2.8   (#  4103:20  Unique)
 &rst
  ixpk= 4103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:4104   9  ILE  QD1       2.8   (#  4104:20  Single)
 &rst
  ixpk= 4104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 127, 128, 598, 599,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:4105   9  ILE  QD1       3.5   (#  4105:20  Single)
 &rst
  ixpk= 4105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 117,  98,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:4106   9  ILE  QD1       4.5   (#  4106:20  Single)
 &rst
  ixpk= 4106, 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
#
#     0  AMB  20-2:4107   9  ILE  QD1       2.8   (#  4107:20  Single)
 &rst
  ixpk= 4107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 121, 412,
 igr2= 130, 131, 132,
 &end
#
#     9  ILE  HG1+    9  ILE  QD1       2.8   (#  4108:20  Unique)
 &rst
  ixpk= 4108, 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
#
#    41  LYS  HD+     9  ILE  QD1       3.5   (#  4109:20  Unique)
 &rst
  ixpk= 4109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 598, 599,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:4112   9  ILE  QD1       4.5   (#  4112:20  Single)
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 595, 596, 635, 636,
 igr2= 130, 131, 132,
 &end
#
#     6  LEU  HA      9  ILE  QD1       2.8   (#  4113:20  Unique)
 &rst
  ixpk= 4113, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 130, 131, 132,
 &end
#
#     6  LEU  HN      9  ILE  QD1       5.5   (#  4114:20  Unique)
 &rst
  ixpk= 4114, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 130, 131, 132,
 &end
#
#     0  AMB  20-2:4116   9  ILE  QD1       3.5   (#  4116:20  Single)
 &rst
  ixpk= 4116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  51,  52,  53,  74,
 igr2= 130, 131, 132,
 &end
#
#    57  TYR  HN     56  ILE  QD1       5.5   (#  4118:20  Unique)
 &rst
  ixpk= 4118, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 856, 857, 858,
 &end
#
#    46  GLY  HA-    56  ILE  QD1       4.5   (#  4119:20  Unique)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 686, 687,
 igr2= 856, 857, 858,
 &end
#
#    46  GLY  HA+    56  ILE  QD1       3.5   (#  4120:20  Unique)
 &rst
  ixpk= 4120, 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
#
#    23  VAL  HN     56  ILE  QD1       4.5   (#  4121:20  Unique)
 &rst
  ixpk= 4121, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 856, 857, 858,
 &end
#
#    47  TYR  HN     56  ILE  QD1       3.5   (#  4122:20  Unique)
 &rst
  ixpk= 4122, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 856, 857, 858,
 &end
#
#    56  ILE  HG1+   56  ILE  QD1       2.8   (#  4123:20  Unique)
 &rst
  ixpk= 4123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 853, 854,
 igr2= 856, 857, 858,
 &end
#
#   107  GLU  HN    106  THR  HB        4.5   (#  4124:20  Unique)
 &rst
  ixpk= 4124, nxpk= 20, iat=1594,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    22  TYR  HA     56  ILE  QD1       3.5   (#  4125:20  Unique)
 &rst
  ixpk= 4125, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 856, 857, 858,
 &end
#
#   106  THR  HN    106  THR  HB        4.5   (#  4127:20  Unique)
 &rst
  ixpk= 4127, nxpk= 20, iat=1580,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    47  TYR  HD     56  ILE  QD1       5.5   (#  4128:20  Unique)
 &rst
  ixpk= 4128, 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
#
#   106  THR  HA    106  THR  HB        4.5   (#  4129:20  Unique)
 &rst
  ixpk= 4129, nxpk= 20, iat=1582,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   107  GLU  HN    106  THR  HB        4.5   (#  4130:20  Unique)
 &rst
  ixpk= 4130, nxpk= 20, iat=1594,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HE+   106  THR  HB        4.5   (#  4132:20  Unique)
 &rst
  ixpk= 4132, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1663,1664,
 &end
#
#   106  THR  MG2   106  THR  HB        3.5   (#  4133:20  Unique)
 &rst
  ixpk= 4133, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#   118  VAL  MGX   106  THR  HB        3.5   (#  4134:20  Unique)
 &rst
  ixpk= 4134, 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
#
#    57  TYR  HA     25  ILE  QD1       2.8   (#  4135:20  Unique)
 &rst
  ixpk= 4135, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:4138  25  ILE  QD1       2.8   (#  4138:20  Single)
 &rst
  ixpk= 4138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 375, 376, 369, 667, 668,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:4139  25  ILE  QD1       4.5   (#  4139:20  Single)
 &rst
  ixpk= 4139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 365,1092,
 igr2= 378, 379, 380,
 &end
#
#    60  VAL  HB     25  ILE  QD1       3.5   (#  4141:20  Unique)
 &rst
  ixpk= 4141, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:4143  25  ILE  QD1       3.5   (#  4143:20  Single)
 &rst
  ixpk= 4143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 923, 924, 925, 927, 928, 929, 635, 636,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:4144  25  ILE  QD1       7.0   (#  4144:20  Single)
 &rst
  ixpk= 4144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1071, 970, 971,
 igr2= 378, 379, 380,
 &end
#
#    43  ILE  QD1    25  ILE  QD1       3.5   (#  4145:20  Unique)
 &rst
  ixpk= 4145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639, 640,
 igr2= 378, 379, 380,
 &end
#
#    57  TYR  HD     25  ILE  QD1       3.5   (#  4146:20  Unique)
 &rst
  ixpk= 4146, 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
#
#    45  ARG  HG+    25  ILE  QD1       4.5   (#  4147:20  Unique)
 &rst
  ixpk= 4147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 667, 668,
 igr2= 378, 379, 380,
 &end
#
#    57  TYR  HE     25  ILE  QD1       4.5   (#  4148:20  Unique)
 &rst
  ixpk= 4148, 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
#
#    60  VAL  HN     25  ILE  QD1       5.5   (#  4149:20  Unique)
 &rst
  ixpk= 4149, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 378, 379, 380,
 &end
#
#    52  TYR  HN     52  TYR  HA        4.5   (#  4160:20  Unique)
 &rst
  ixpk= 4160, nxpk= 20, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    52  TYR  HN     55  ASP  HB2       7.0   (#  4161:20  Unique)
 &rst
  ixpk= 4161, nxpk= 20, iat= 783, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    52  TYR  HN     55  ASP  HB3       7.0   (#  4162:20  Unique)
 &rst
  ixpk= 4162, nxpk= 20, iat= 783, 836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    51  GLU  HN     55  ASP  HB2       7.0   (#  4163:20  Unique)
 &rst
  ixpk= 4163, nxpk= 20, iat= 768, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    57  TYR  HE     61  SER  HB+       7.0   (#  4164:20  Unique)
 &rst
  ixpk= 4164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 937, 938,
 &end
#
#    57  TYR  HE     61  SER  HB-       7.0   (#  4165:20  Unique)
 &rst
  ixpk= 4165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 937, 938,
 &end
#
#     0  AMB  20-2:4166   0  AMB  20-1:4166     7.0   (#  4166:20  Double)
 &rst
  ixpk= 4166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=1066, 980, 917,
 igr2= 937, 938, 937, 938, 937, 938,
 &end
#
#    68  GLY  HN     67  GLN  HB3       7.0   (#  4167:20  Unique)
 &rst
  ixpk= 4167, nxpk= 20, iat=1036,1024, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  20-2:4168  69  CYS  HB3       5.5   (#  4168:20  Single)
 &rst
  ixpk= 4168, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 982,
 &end
#
#    78  ARG  HG+    78  ARG  HB+       5.5   (#  4170:20  Unique)
 &rst
  ixpk= 4170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#    90  VAL  HN     89  HIS  HB+       7.0   (#  4171:20  Unique)
 &rst
  ixpk= 4171, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1338,1339,
 &end
#
#    91  TYR  HN     91  TYR  HA        5.5   (#  4174:20  Unique)
 &rst
  ixpk= 4174, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HE3   102  HIS  HB3       5.5   (#  4177:20  Unique)
 &rst
  ixpk= 4177, nxpk= 20, iat=1836,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HE3   102  HIS  HB2       5.5   (#  4178:20  Unique)
 &rst
  ixpk= 4178, nxpk= 20, iat=1836,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   102  HIS  HD2   105  SER  HB2       7.0   (#  4179:20  Unique)
 &rst
  ixpk= 4179, nxpk= 20, iat=1536,1573, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  20-2:4180 105  SER  HB2       5.5   (#  4180:20  Single)
 &rst
  ixpk= 4180, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355, 356, 357, 359, 360, 361,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   111  ALA  HN    107  GLU  HA        7.0   (#  4181:20  Unique)
 &rst
  ixpk= 4181, nxpk= 20, iat=1672,1596, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   111  ALA  HN    110  LYS  HA        7.0   (#  4182:20  Unique)
 &rst
  ixpk= 4182, nxpk= 20, iat=1672,1652, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   110  LYS  HA    110  LYS  HB+       3.5   (#  4183:20  Unique)
 &rst
  ixpk= 4183, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#   107  GLU  HA    110  LYS  HB+       4.5   (#  4184:20  Unique)
 &rst
  ixpk= 4184, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#   110  LYS  HG-   110  LYS  HB+       3.5   (#  4185:20  Unique)
 &rst
  ixpk= 4185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1654,1655,
 &end
#
#   125  TYR  HN    125  TYR  HB+       7.0   (#  4186:20  Unique)
 &rst
  ixpk= 4186, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1888,1889,
 &end
#
#    75  GLY  HA-    97  TYR  HB+       3.5   (#  4187:20  Unique)
 &rst
  ixpk= 4187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1124,1125,
 igr2=1458,1459,
 &end
#
#     0  AMB  20-2:4189   0  AMB  20-1:4189     2.8   (#  4189:20  Double)
 &rst
  ixpk= 4189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 469, 470, 535, 536,
 igr2= 466, 467, 532, 533,
 &end
#
#     0  AMB  20-2:4190   0  AMB  20-1:4190     5.5   (#  4190:20  Double)
 &rst
  ixpk= 4190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 130, 131, 132, 123, 124, 125,
 igr2= 466, 467, 140, 141,
 &end
#
#   118  VAL  MGY    88  ILE  HA        7.0   (#  4192:20  Unique)
 &rst
  ixpk= 4192, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#    43  ILE  QD1    45  ARG  HG-       7.0   (#  4193:20  Unique)
 &rst
  ixpk= 4193, 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
#
#    60  VAL  MGX    45  ARG  HG-       3.5   (#  4194:20  Unique)
 &rst
  ixpk= 4194, 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= 667, 668,
 &end
#
#    25  ILE  QD1    45  ARG  HG-       4.5   (#  4195:20  Unique)
 &rst
  ixpk= 4195, 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
#
#    45  ARG  HA     45  ARG  HG-       5.5   (#  4196:20  Unique)
 &rst
  ixpk= 4196, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#    45  ARG  HA     45  ARG  HG+       7.0   (#  4197:20  Unique)
 &rst
  ixpk= 4197, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 667, 668,
 &end
#
#    45  ARG  HE     45  ARG  HG-       7.0   (#  4198:20  Unique)
 &rst
  ixpk= 4198, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 667, 668,
 &end
#
#    45  ARG  HE     45  ARG  HG+       5.5   (#  4199:20  Unique)
 &rst
  ixpk= 4199, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#     0  AMB  20-2:4200   9  ILE  QD1       4.5   (#  4200:20  Single)
 &rst
  ixpk= 4200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 466, 467, 466, 467,
 igr2= 130, 131, 132,
 &end
#
#    64  MET  ME      9  ILE  QD1       3.5   (#  4201:20  Unique)
 &rst
  ixpk= 4201, 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
#
#     0  AMB  20-2:4202  56  ILE  QD1       7.0   (#  4202:20  Single)
 &rst
  ixpk= 4202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 808, 809, 313, 314,
 igr2= 856, 857, 858,
 &end
#
#     0  AMB  20-2:4203  25  ILE  QD1       4.5   (#  4203:20  Single)
 &rst
  ixpk= 4203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 847, 334,
 igr2= 378, 379, 380,
 &end
#
#     0  AMB  20-2:4204  25  ILE  QD1       7.0   (#  4204:20  Single)
 &rst
  ixpk= 4204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 660, 963,
 igr2= 378, 379, 380,
 &end
#
#    26  ARG  HN     25  ILE  QD1       5.5   (#  4205:20  Unique)
 &rst
  ixpk= 4205, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 378, 379, 380,
 &end
#
#    61  SER  HB-    25  ILE  QD1       7.0   (#  4206:20  Unique)
 &rst
  ixpk= 4206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 937, 938,
 igr2= 378, 379, 380,
 &end
#
#    24  LEU  MDY    44  VAL  MGX       3.5   (#  4207:20  Unique)
 &rst
  ixpk= 4207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#     4  ALA  HN      3  VAL  MGY       4.5   (#  4208:20  Unique)
 &rst
  ixpk= 4208, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#     0  AMB  20-2:4209   0  AMB  20-1:4209     4.5   (#  4209:20  Double)
 &rst
  ixpk= 4209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 660, 963, 511,
 igr2= 650, 651, 652, 654, 655, 656, 923, 924, 925, 927,
       928, 929,  37,  38,  39,  41,  42,  43,
 &end
#
#     4  ALA  HN      3  VAL  MGY       4.5   (#  4210:20  Unique)
 &rst
  ixpk= 4210, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    60  VAL  HN     60  VAL  MGX       4.5   (#  4211:20  Unique)
 &rst
  ixpk= 4211, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   101  GLN  HE2+  101  GLN  HG-       5.5   (#  4212:20  Unique)
 &rst
  ixpk= 4212, 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  20-2:4214 118  VAL  MGY       3.5   (#  4214:20  Single)
 &rst
  ixpk= 4214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1635,1657,1658,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   110  LYS  HG-   118  VAL  MGY       4.5   (#  4215:20  Unique)
 &rst
  ixpk= 4215, 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
#
#    87  LYS  HG+   118  VAL  MGX       4.5   (#  4216:20  Unique)
 &rst
  ixpk= 4216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1300,1301,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  20-2:4217   0  AMB  20-1:4217     3.5   (#  4217:20  Double)
 &rst
  ixpk= 4217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 667, 668, 522, 523, 524,1616,1617,
 igr2= 923, 924, 925, 927, 928, 929,  37,  38,  39,  41,
        42,  43, 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  20-2:4218   0  AMB  20-1:4218     2.8   (#  4218:20  Double)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 921, 648,1613,
 igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
       655, 656,
 &end
#
#    87  LYS  HA    117  GLU  HB+       5.5   (#  4220:20  Unique)
 &rst
  ixpk= 4220, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    87  LYS  HA    117  GLU  HB-       5.5   (#  4221:20  Unique)
 &rst
  ixpk= 4221, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#    87  LYS  HB+   117  GLU  HB-       4.5   (#  4222:20  Unique)
 &rst
  ixpk= 4222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1776,1777,
 &end
#
#     0  AMB  20-2:4225   0  AMB  20-1:4225     3.5   (#  4225:20  Double)
 &rst
  ixpk= 4225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 466, 467, 140, 141,
 igr2= 472, 146,
 &end
#
#     5  ASP  HB-     4  ALA  MB        7.0   (#  4226:20  Unique)
 &rst
  ixpk= 4226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  61,  62,
 igr2=  51,  52,  53,
 &end
#
#     0  AMB  20-2:4227   4  ALA  MB        7.0   (#  4227:20  Single)
 &rst
  ixpk= 4227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=  61,  62,1048,
 igr2=  51,  52,  53,
 &end
#
#     0  AMB  20-2:4228   4  ALA  MB        4.5   (#  4228:20  Single)
 &rst
  ixpk= 4228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 466, 467,1023,
 igr2=  51,  52,  53,
 &end
#
#    80  SER  HB-    19  VAL  MG2       3.5   (#  4232:20  Unique)
 &rst
  ixpk= 4232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,
 igr2= 261, 262, 263,
 &end
#
#     7  ALA  MB      8  LEU  MDX       4.5   (#  4236:20  Unique)
 &rst
  ixpk= 4236, 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
#
#    33  SER  HA     30  ALA  MB        4.5   (#  4238:20  Unique)
 &rst
  ixpk= 4238, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 456, 457, 458,
 &end
#
#    45  ARG  HG+    43  ILE  QD1       4.5   (#  4239:20  Unique)
 &rst
  ixpk= 4239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 667, 668,
 igr2= 638, 639, 640,
 &end
#
#    41  LYS  HD-    43  ILE  QD1       7.0   (#  4240:20  Unique)
 &rst
  ixpk= 4240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 598, 599,
 igr2= 638, 639, 640,
 &end
#
#    56  ILE  HA     50  ALA  MB        4.5   (#  4241:20  Unique)
 &rst
  ixpk= 4241, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 762, 763, 764,
 &end
#
#    55  ASP  HA     58  ASP  HB-       5.5   (#  4242:20  Unique)
 &rst
  ixpk= 4242, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 887, 888,
 &end
#
#     0  AMB  20-2:4243   0  AMB  20-1:4243     5.5   (#  4243:20  Double)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 919, 845,
 igr2= 902, 903, 902, 903,
 &end
#
#    69  CYS  HA     70  ASP  HB+       5.5   (#  4244:20  Unique)
 &rst
  ixpk= 4244, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#    74  LEU  HG      0  AMB  20-1:4245     2.8   (#  4245:20  Single)
 &rst
  ixpk= 4245, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#     0  AMB  20-2:4246  79  ILE  QD1       2.8   (#  4246:20  Single)
 &rst
  ixpk= 4246, 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
#
#    94  SER  HN     94  SER  HB-       7.0   (#  4249:20  Unique)
 &rst
  ixpk= 4249, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1420,1421,
 &end
#
#   100  ALA  HN     99  PRO  HB+       7.0   (#  4253:20  Unique)
 &rst
  ixpk= 4253, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1489,1490,
 &end
#
#     0  AMB  20-2:4255 109  ILE  QD1       2.8   (#  4255:20  Single)
 &rst
  ixpk= 4255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 650, 651, 652, 654, 655, 656, 196, 197, 198,
 igr2=1644,1645,1646,
 &end
#
#    12  VAL  MGY   112  LYS  HD-       4.5   (#  4256:20  Unique)
 &rst
  ixpk= 4256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,
 &end
#
#   106  THR  MG2   118  VAL  HB        5.5   (#  4257:20  Unique)
 &rst
  ixpk= 4257, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#   120  TRP  HN    120  TRP  HB+       7.0   (#  4258:20  Unique)
 &rst
  ixpk= 4258, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1821,1822,
 &end
#
#    94  SER  HN     93  TYR  HB+       5.5   (#  4261:20  Unique)
 &rst
  ixpk= 4261, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#    46  GLY  HA-    22  TYR  HB-       7.0   (#  4262:20  Unique)
 &rst
  ixpk= 4262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#    46  GLY  HA+    22  TYR  HB-       7.0   (#  4263:20  Unique)
 &rst
  ixpk= 4263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#    46  GLY  HA+    22  TYR  HB+       7.0   (#  4264:20  Unique)
 &rst
  ixpk= 4264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#    22  TYR  HD     22  TYR  HB-       5.5   (#  4265:20  Unique)
 &rst
  ixpk= 4265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 313, 314,
 &end
#
#     0  AMB  20-2:4266  22  TYR  HB-       7.0   (#  4266:20  Single)
 &rst
  ixpk= 4266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 275, 283, 691,
 igr2= 313, 314,
 &end
#
#     0  AMB  20-2:4267   0  AMB  20-1:4267     7.0   (#  4267:20  Double)
 &rst
  ixpk= 4267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 275, 283, 691,
 igr2= 313, 314, 313, 314,
 &end
#
#     0  AMB  20-2:4270 103  ALA  MB        4.5   (#  4270:20  Single)
 &rst
  ixpk= 4270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1508,1525,
 igr2=1544,1545,1546,
 &end
#
#    37  ALA  HN     35  ALA  MB        5.5   (#  4274:20  Unique)
 &rst
  ixpk= 4274, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 522, 523, 524,
 &end
#
#     5  ASP  HA      6  LEU  HA        5.5   (#  4276:20  Unique)
 &rst
  ixpk= 4276, nxpk= 20, iat=  59,  71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  20-2:4278  64  MET  ME        4.5   (#  4278:20  Single)
 &rst
  ixpk= 4278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 968, 667, 668,
 igr2= 974, 975, 976,
 &end
#
#     9  ILE  HG1-   64  MET  ME        4.5   (#  4279:20  Unique)
 &rst
  ixpk= 4279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 127, 128,
 igr2= 974, 975, 976,
 &end
#
#   119  THR  MG2   118  VAL  HB         5.5   (#  4280:20)
 &rst
  ixpk= 4280, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1809,1810,1811,
 &end
#
#    87  LYS  HD+   119  THR  MG2       5.5   (#  4281:20  Unique)
 &rst
  ixpk= 4281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1303,1304,
 igr2=1809,1810,1811,
 &end
#
#    27  VAL  MGY    29  SER  HA        5.5   (#  4282:20  Unique)
 &rst
  ixpk= 4282, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#   121  ALA  MB     91  TYR  HA        7.0   (#  4290:20  Unique)
 &rst
  ixpk= 4290, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1845,1846,1847,
 &end
#
#    99  PRO  HA     93  TYR  HA        3.5   (#  4292:20  Unique)
 &rst
  ixpk= 4292, nxpk= 20, iat=1492,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    99  PRO  HA     93  TYR  HB+       7.0   (#  4293:20  Unique)
 &rst
  ixpk= 4293, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1399,1400,
 &end
#
#    99  PRO  HA     93  TYR  HB-       7.0   (#  4294:20  Unique)
 &rst
  ixpk= 4294, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1399,1400,
 &end
#
#     0  AMB  20-2:4295   0  AMB  20-1:4295     7.0   (#  4295:20  Double)
 &rst
  ixpk= 4295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1454,1129,
 igr2=1420,1421,1420,1421,
 &end
#
#    43  ILE  HB     11  ASP  HA        4.5   (#  4301:20  Unique)
 &rst
  ixpk= 4301, nxpk= 20, iat= 629, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    70  ASP  HB+    31  PRO  HA        7.0   (#  4302:20  Unique)
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1058,1059,
 &end
#
#    21  LYS  HN     21  LYS  HA        7.0   (#  4303:20  Unique)
 &rst
  ixpk= 4303, nxpk= 20, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    78  ARG  HB-    21  LYS  HA        7.0   (#  4304:20  Unique)
 &rst
  ixpk= 4304, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1147,1148,
 &end
#
#    32  ARG  HN     32  ARG  HG+       7.0   (#  4305:20  Unique)
 &rst
  ixpk= 4305, nxpk= 20, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 483, 484,
 &end
#
#    57  TYR  HE     25  ILE  HG1+      7.0   (#  4306:20  Unique)
 &rst
  ixpk= 4306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 375, 376,
 &end
#
#    64  MET  ME     64  MET  HG-       4.5   (#  4307:20  Unique)
 &rst
  ixpk= 4307, 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
#
#     0  AMB  10-2:7 120  TRP  HE1       5.5   (#     7:10  Single)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1832,1594,1834,
 &end
#
#   120  TRP  HD1   120  TRP  HE1       2.8   (#     8:10  Unique)
 &rst
  ixpk= 8, 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   (#     9:10  Unique)
 &rst
  ixpk= 9, nxpk= 10, iat=1542,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   103  ALA  MB    120  TRP  HE1       3.5   (#    10:10  Unique)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1544,1545,1546,
 &end
#
#   106  THR  MG2   120  TRP  HE1       4.5   (#    11:10  Unique)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#   117  GLU  HA    118  VAL  HN        2.8   (#    14:10  Unique)
 &rst
  ixpk= 14, nxpk= 10, iat=1774,1787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:15 118  VAL  HN        3.5   (#    15:10  Single)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1791,1776,1777,
 &end
#
#   117  GLU  HG-   118  VAL  HN        5.5   (#    16:10  Unique)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1779,1780,
 &end
#
#     0  AMB  10-2:17 118  VAL  HN        4.5   (#    17:10  Single)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   118  VAL  HA    118  VAL  HN        4.5   (#    18:10  Unique)
 &rst
  ixpk= 18, nxpk= 10, iat=1789,1787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   117  GLU  HG+   118  VAL  HN        4.5   (#    19:10  Unique)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1779,1780,
 &end
#
#    90  VAL  HA     90  VAL  HN        5.5   (#    21:10  Unique)
 &rst
  ixpk= 21, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HA     45  ARG  HN        4.5   (#    24:10  Unique)
 &rst
  ixpk= 24, nxpk= 10, iat= 662, 660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    45  ARG  HB2    45  ARG  HN        3.5   (#    26:10  Unique)
 &rst
  ixpk= 26, nxpk= 10, iat= 664, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:27  45  ARG  HN        4.5   (#    27:10  Single)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 667, 668, 375, 376,
 &end
#
#    45  ARG  HG+    45  ARG  HN        4.5   (#    28:10  Unique)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#     0  AMB  10-2:29  45  ARG  HN        3.5   (#    29:10  Single)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 650, 651, 652, 654, 655, 656, 375, 376,
 &end
#
#     0  AMB  10-2:30  45  ARG  HN        3.5   (#    30:10  Single)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 355, 356, 357, 359, 360, 361, 856, 857,
       858,
 &end
#
#    44  VAL  MGX    45  ARG  HN        3.5   (#    31:10  Unique)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   120  TRP  HA     90  VAL  HN        3.5   (#    34:10  Unique)
 &rst
  ixpk= 34, nxpk= 10, iat=1819,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    89  HIS  HA     90  VAL  HN        2.8   (#    35:10  Unique)
 &rst
  ixpk= 35, nxpk= 10, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   120  TRP  HB+    90  VAL  HN        3.5   (#    36:10  Unique)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1821,1822,
 &end
#
#    90  VAL  HB     90  VAL  HN        3.5   (#    37:10  Unique)
 &rst
  ixpk= 37, nxpk= 10, iat=1355,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    90  VAL  MGX    90  VAL  HN        3.5   (#    38:10  Unique)
 &rst
  ixpk= 38, 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
#
#    90  VAL  MGY    90  VAL  HN        3.5   (#    39:10  Unique)
 &rst
  ixpk= 39, 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        3.5   (#    40:10  Unique)
 &rst
  ixpk= 40, nxpk= 10, iat=1122,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HB2    74  LEU  HN        3.5   (#    41:10  Unique)
 &rst
  ixpk= 41, nxpk= 10, iat=1107,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  MDY    74  LEU  HN        4.5   (#    42:10  Unique)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    74  LEU  HA     74  LEU  HN        4.5   (#    44:10  Unique)
 &rst
  ixpk= 44, nxpk= 10, iat=1105,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    73  CYS  HA     74  LEU  HN        2.8   (#    45:10  Unique)
 &rst
  ixpk= 45, nxpk= 10, iat=1094,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:46  74  LEU  HN        3.5   (#    46:10  Single)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1108, 389,
 &end
#
#    74  LEU  HG     74  LEU  HN        3.5   (#    47:10  Unique)
 &rst
  ixpk= 47, nxpk= 10, iat=1110,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:48  74  LEU  HN        4.5   (#    48:10  Single)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 &end
#
#     0  AMB  10-2:49  74  LEU  HN        3.5   (#    49:10  Single)
 &rst
  ixpk= 49, 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
#
#    26  ARG  HN     74  LEU  HN        4.5   (#    51:10  Unique)
 &rst
  ixpk= 51, nxpk= 10, iat= 384,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     4  ALA  HA      4  ALA  HN        3.5   (#    57:10  Unique)
 &rst
  ixpk= 57, nxpk= 10, iat=  49,  47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     3  VAL  HA      4  ALA  HN        2.8   (#    58:10  Unique)
 &rst
  ixpk= 58, nxpk= 10, iat=  33,  47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     4  ALA  MB      4  ALA  HN        3.5   (#    59:10  Unique)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#     0  AMB  10-2:60   4  ALA  HN        4.5   (#    60:10  Single)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,  47, 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
#
#     0  AMB  10-2:61   4  ALA  HN        5.5   (#    61:10  Single)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  31,  57,
 &end
#
#     0  AMB  10-2:62   4  ALA  HN        4.5   (#    62:10  Single)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  35, 466, 467,
 &end
#
#    73  CYS  HA     26  ARG  HN        5.5   (#    70:10  Unique)
 &rst
  ixpk= 70, nxpk= 10, iat=1094, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    26  ARG  HB2    26  ARG  HN        3.5   (#    71:10  Unique)
 &rst
  ixpk= 71, nxpk= 10, iat= 388, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HG     26  ARG  HN        3.5   (#    72:10  Unique)
 &rst
  ixpk= 72, nxpk= 10, iat=1110, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  HN     26  ARG  HN        5.5   (#    74:10  Unique)
 &rst
  ixpk= 74, nxpk= 10, iat=1103, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    72  GLU  HN     26  ARG  HN        3.5   (#    75:10  Unique)
 &rst
  ixpk= 75, nxpk= 10, iat=1077, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:77  26  ARG  HN        3.5   (#    77:10  Single)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 371, 372, 373, 391, 392,
 &end
#
#     0  AMB  10-2:78  26  ARG  HN        3.5   (#    78:10  Single)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#    26  ARG  HA     26  ARG  HN        4.5   (#    79:10  Unique)
 &rst
  ixpk= 79, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    26  ARG  HB3    26  ARG  HN        3.5   (#    80:10  Unique)
 &rst
  ixpk= 80, nxpk= 10, iat= 389, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    74  LEU  MDY    26  ARG  HN        4.5   (#    81:10  Unique)
 &rst
  ixpk= 81, 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
#
#    51  GLU  HA     51  GLU  HN        3.5   (#    82:10  Unique)
 &rst
  ixpk= 82, nxpk= 10, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:83  51  GLU  HN        2.8   (#    83:10  Single)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 775, 776, 772, 773,
 &end
#
#    52  TYR  HN     51  GLU  HN        3.5   (#    85:10  Unique)
 &rst
  ixpk= 85, 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   (#    86:10  Unique)
 &rst
  ixpk= 86, nxpk= 10, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:87  51  GLU  HN        3.5   (#    87:10  Single)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 775, 776, 772, 773,
 &end
#
#    50  ALA  MB     51  GLU  HN        4.5   (#    88:10  Unique)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 762, 763, 764,
 &end
#
#     0  AMB  10-2:89  51  GLU  HN        5.5   (#    89:10  Single)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 753, 831,
 &end
#
#    43  ILE  HG1+   25  ILE  HN        5.5   (#    90:10  Unique)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
#    41  LYS  HN     27  VAL  HN        3.5   (#    92:10  Unique)
 &rst
  ixpk= 92, nxpk= 10, iat= 588, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:93  27  VAL  HN        4.5   (#    93:10  Single)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 592, 593, 617, 618,
 &end
#
#     0  AMB  10-2:94  27  VAL  HN        4.5   (#    94:10  Single)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 631, 632, 633, 130, 131, 132,1112,1113,1114,1116,
      1117,1118,
 &end
#
#    42  GLU  HA     27  VAL  HN        3.5   (#    95:10  Unique)
 &rst
  ixpk= 95, nxpk= 10, iat= 612, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    26  ARG  HA     27  VAL  HN        2.8   (#    96:10  Unique)
 &rst
  ixpk= 96, nxpk= 10, iat= 386, 408, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    27  VAL  HA     27  VAL  HN        4.5   (#    97:10  Unique)
 &rst
  ixpk= 97, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:98  27  VAL  HN        3.5   (#    98:10  Single)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 412, 592, 593,
 &end
#
#    26  ARG  HG+    27  VAL  HN        3.5   (#    99:10  Unique)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 391, 392,
 &end
#
#    43  ILE  HN     25  ILE  HN        3.5   (#   101:10  Unique)
 &rst
  ixpk= 101, nxpk= 10, iat= 625, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    24  LEU  HA     25  ILE  HN        2.8   (#   103:10  Unique)
 &rst
  ixpk= 103, nxpk= 10, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:104  25  ILE  HN        2.8   (#   104:10  Single)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 369, 375, 376,
 &end
#
#    43  ILE  HG1-   25  ILE  HN        3.5   (#   105:10  Unique)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    43  ILE  HG1+   25  ILE  HN        4.5   (#   106:10  Unique)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 635, 636,
 &end
#
#    24  LEU  MDY    25  ILE  HN        2.8   (#   107:10  Unique)
 &rst
  ixpk= 107, 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
#
#    29  SER  HA     30  ALA  HN        2.8   (#   113:10  Unique)
 &rst
  ixpk= 113, nxpk= 10, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    29  SER  HB+    30  ALA  HN        5.5   (#   114:10  Unique)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#     0  AMB  10-2:115  30  ALA  HN        5.5   (#   115:10  Single)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 441,  69,
 &end
#
#     0  AMB  10-2:116  30  ALA  HN        2.8   (#   116:10  Single)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 456, 457, 458, 522, 523, 524,
 &end
#
#     0  AMB  10-2:117  13  ASP  HN        4.5   (#   117:10  Single)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 190, 162,
 &end
#
#    45  ARG  HE     13  ASP  HN        3.5   (#   119:10  Unique)
 &rst
  ixpk= 119, nxpk= 10, iat= 673, 178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:120  13  ASP  HN        4.5   (#   120:10  Single)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 662, 192,
 &end
#
#    13  ASP  HA     13  ASP  HN        4.5   (#   121:10  Unique)
 &rst
  ixpk= 121, nxpk= 10, iat= 180, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    12  VAL  HA     13  ASP  HN        2.8   (#   122:10  Unique)
 &rst
  ixpk= 122, nxpk= 10, iat= 164, 178, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    13  ASP  HB2    13  ASP  HN        4.5   (#   123:10  Unique)
 &rst
  ixpk= 123, nxpk= 10, iat= 182, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    44  VAL  MGY    13  ASP  HN        4.5   (#   124:10  Unique)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    12  VAL  MGY    13  ASP  HN        3.5   (#   125:10  Unique)
 &rst
  ixpk= 125, 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  10-2:126  13  ASP  HN        3.5   (#   126:10  Single)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 196, 197, 198, 168, 169, 170, 172, 173, 174,
 &end
#
#    13  ASP  HB3    13  ASP  HN        4.5   (#   127:10  Unique)
 &rst
  ixpk= 127, nxpk= 10, iat= 183, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    13  ASP  HN     44  VAL  HB         7.0   (#   128:10)
 &rst
  ixpk= 128, nxpk= 10, iat= 178, 648, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   102  HIS  HE1   100  ALA  HN        4.5   (#   131:10  Unique)
 &rst
  ixpk= 131, nxpk= 10, iat=1533,1496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    99  PRO  HA    100  ALA  HN        3.5   (#   133:10  Unique)
 &rst
  ixpk= 133, nxpk= 10, iat=1492,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   100  ALA  HA    100  ALA  HN        3.5   (#   134:10  Unique)
 &rst
  ixpk= 134, 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   (#   135:10  Unique)
 &rst
  ixpk= 135, 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    100  ALA  HN        4.5   (#   136:10  Unique)
 &rst
  ixpk= 136, nxpk= 10, iat=1129,1496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    73  CYS  HB-    73  CYS  HN        4.5   (#   139:10  Unique)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#     0  AMB  10-2:140  73  CYS  HN        3.5   (#   140:10  Single)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,1081,1082,
 &end
#
#    24  LEU  HA     24  LEU  HN        4.5   (#   141:10  Unique)
 &rst
  ixpk= 141, nxpk= 10, iat= 348, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    23  VAL  HA     24  LEU  HN        2.8   (#   143:10  Unique)
 &rst
  ixpk= 143, nxpk= 10, iat= 332, 346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    76  GLY  HA+    24  LEU  HN        4.5   (#   144:10  Unique)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    23  VAL  HB     24  LEU  HN        2.8   (#   145:10  Unique)
 &rst
  ixpk= 145, nxpk= 10, iat= 334, 346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    24  LEU  HB+    24  LEU  HN        3.5   (#   146:10  Unique)
 &rst
  ixpk= 146, 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   (#   147:10  Unique)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#     0  AMB  10-2:148  24  LEU  HN        3.5   (#   148:10  Single)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 346, 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
#
#     0  AMB  10-2:149  24  LEU  HN        3.5   (#   149:10  Single)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  10-2:151 102  HIS  HN        4.5   (#   151:10  Single)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1533,1836, 319, 324,
 &end
#
#   102  HIS  HB3   102  HIS  HN        4.5   (#   152:10  Unique)
 &rst
  ixpk= 152, nxpk= 10, iat=1528,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:153 102  HIS  HN        4.5   (#   153:10  Single)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1510,1511,1554,
 &end
#
#   103  ALA  MB    102  HIS  HN        5.5   (#   154:10  Unique)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1544,1545,1546,
 &end
#
#     0  AMB  10-2:155 102  HIS  HN        4.5   (#   155:10  Single)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  10-2:159 102  HIS  HN        2.8   (#   159:10  Single)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1525,1508,
 &end
#
#   102  HIS  HB2   102  HIS  HN        3.5   (#   160:10  Unique)
 &rst
  ixpk= 160, nxpk= 10, iat=1527,1523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   103  ALA  HN    102  HIS  HN        4.5   (#   161:10  Unique)
 &rst
  ixpk= 161, nxpk= 10, iat=1540,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     7  ALA  HN      6  LEU  HN        3.5   (#   162:10  Unique)
 &rst
  ixpk= 162, 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   (#   164:10  Unique)
 &rst
  ixpk= 164, nxpk= 10, iat=  59,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     6  LEU  HA      6  LEU  HN        3.5   (#   165:10  Unique)
 &rst
  ixpk= 165, nxpk= 10, iat=  71,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  HB2     6  LEU  HN        2.8   (#   166:10  Unique)
 &rst
  ixpk= 166, nxpk= 10, iat=  73,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     6  LEU  HG      6  LEU  HN        2.8   (#   167:10  Unique)
 &rst
  ixpk= 167, 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   (#   168:10  Unique)
 &rst
  ixpk= 168, nxpk= 10, iat=  74,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     6  LEU  MDY     6  LEU  HN        4.5   (#   169:10  Unique)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     5  ASP  HB+     6  LEU  HN        5.5   (#   170:10  Unique)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#     5  ASP  HB-     6  LEU  HN        5.5   (#   171:10  Unique)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#     6  LEU  MDX     6  LEU  HN        4.5   (#   172:10  Unique)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    52  TYR  HA     53  HIS  HN        4.5   (#   175:10  Unique)
 &rst
  ixpk= 175, nxpk= 10, iat= 785, 804, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    53  HIS  HB-    53  HIS  HN        7.0   (#   177:10  Unique)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 808, 809,
 &end
#
#    53  HIS  HA     53  HIS  HN        5.5   (#   178:10  Unique)
 &rst
  ixpk= 178, nxpk= 10, iat= 806, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    34  GLY  HA+    35  ALA  HN        4.5   (#   185:10  Unique)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 513, 514,
 &end
#
#    34  GLY  HA-    35  ALA  HN        4.5   (#   186:10  Unique)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 513, 514,
 &end
#
#     0  AMB  10-2:187  35  ALA  HN        4.5   (#   187:10  Single)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 529, 530, 463, 464,
 &end
#
#    35  ALA  MB     35  ALA  HN        2.8   (#   188:10  Unique)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 522, 523, 524,
 &end
#
#     0  AMB  10-2:193  38  ALA  HN        3.5   (#   193:10  Single)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 544, 554,
 &end
#
#    38  ALA  MB     38  ALA  HN        3.5   (#   194:10  Unique)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 556, 557, 558,
 &end
#
#    52  TYR  HB+    54  ALA  HN        4.5   (#   200:10  Unique)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#    53  HIS  HB+    54  ALA  HN        4.5   (#   201:10  Unique)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#     0  AMB  10-2:205  82  GLN  HN        3.5   (#   205:10  Single)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1216,1199,
 &end
#
#    82  GLN  HG+    82  GLN  HN        4.5   (#   206:10  Unique)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1221,1222,
 &end
#
#     0  AMB  10-2:207  82  GLN  HN        2.8   (#   207:10  Single)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1218,1219,1218,1219,
 &end
#
#    27  VAL  HA     28  HIS  HN        2.8   (#   209:10  Unique)
 &rst
  ixpk= 209, nxpk= 10, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    28  HIS  HB3    28  HIS  HN        4.5   (#   210:10  Unique)
 &rst
  ixpk= 210, nxpk= 10, iat= 429, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    28  HIS  HB2    28  HIS  HN        3.5   (#   211:10  Unique)
 &rst
  ixpk= 211, nxpk= 10, iat= 428, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    70  ASP  HN     28  HIS  HN        4.5   (#   213:10  Unique)
 &rst
  ixpk= 213, nxpk= 10, iat=1054, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    28  HIS  HD2    28  HIS  HN        5.5   (#   214:10  Unique)
 &rst
  ixpk= 214, nxpk= 10, iat= 437, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    71  CYS  HA     28  HIS  HN        5.5   (#   215:10  Unique)
 &rst
  ixpk= 215, nxpk= 10, iat=1068, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    28  HIS  HA     28  HIS  HN        4.5   (#   216:10  Unique)
 &rst
  ixpk= 216, nxpk= 10, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    27  VAL  MGY    28  HIS  HN        3.5   (#   217:10  Unique)
 &rst
  ixpk= 217, 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
#
#    64  MET  HN     63  ASP  HN        3.5   (#   218:10  Unique)
 &rst
  ixpk= 218, nxpk= 10, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    62  GLY  HN     63  ASP  HN        3.5   (#   220:10  Unique)
 &rst
  ixpk= 220, nxpk= 10, iat= 944, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HA     63  ASP  HN        2.8   (#   221:10  Unique)
 &rst
  ixpk= 221, nxpk= 10, iat= 953, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    62  GLY  HA+    63  ASP  HN        3.5   (#   222:10  Unique)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 946, 947,
 &end
#
#     0  AMB  10-2:223  63  ASP  HN        3.5   (#   223:10  Single)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 946, 947, 919,
 &end
#
#    63  ASP  HB3    63  ASP  HN        2.8   (#   224:10  Unique)
 &rst
  ixpk= 224, 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   (#   225:10  Unique)
 &rst
  ixpk= 225, nxpk= 10, iat= 955, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    55  ASP  HN     54  ALA  HN        4.5   (#   226:10  Unique)
 &rst
  ixpk= 226, nxpk= 10, iat= 831, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HE     54  ALA  HN        5.5   (#   227:10  Unique)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1469,
 &end
#
#    54  ALA  MB     54  ALA  HN        2.8   (#   229:10  Unique)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 825, 826, 827,
 &end
#
#     0  AMB  10-2:230  54  ALA  HN        4.5   (#   230:10  Single)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1448,1449,1450, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342, 762, 763, 764,
 &end
#
#    52  TYR  HB-    54  ALA  HN        4.5   (#   232:10  Unique)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#    53  HIS  HB-    54  ALA  HN        5.5   (#   233:10  Unique)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
#    94  SER  HA     54  ALA  HN        7.0   (#   234:10  Unique)
 &rst
  ixpk= 234, nxpk= 10, iat=1418, 821, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    96  ALA  MB     96  ALA  HN        4.5   (#   235:10  Unique)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1448,1449,1450,
 &end
#
#     8  LEU  HA      9  ILE  HN        4.5   (#   242:10  Unique)
 &rst
  ixpk= 242, nxpk= 10, iat= 100, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     9  ILE  HA      9  ILE  HN        3.5   (#   243:10  Unique)
 &rst
  ixpk= 243, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:244   9  ILE  HN        4.5   (#   244:10  Single)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  90, 137, 138,
 &end
#
#     6  LEU  HA      9  ILE  HN        5.5   (#   245:10  Unique)
 &rst
  ixpk= 245, nxpk= 10, iat=  71, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     9  ILE  HB      9  ILE  HN        2.8   (#   246:10  Unique)
 &rst
  ixpk= 246, nxpk= 10, iat= 121, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:247   9  ILE  HN        4.5   (#   247:10  Single)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 102, 103, 598, 599,
 &end
#
#     9  ILE  HG1+    9  ILE  HN        3.5   (#   248:10  Unique)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#     0  AMB  10-2:249   9  ILE  HN        3.5   (#   249:10  Single)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 130, 131, 132, 123, 124, 125, 107, 108, 109, 111,
       112, 113,
 &end
#
#     9  ILE  HG1-    9  ILE  HN        3.5   (#   251:10  Unique)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#     0  AMB  10-2:253  50  ALA  HN        3.5   (#   253:10  Single)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 760, 736,
 &end
#
#    56  ILE  QD1    50  ALA  HN        4.5   (#   255:10  Unique)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 856, 857, 858,
 &end
#
#    90  VAL  MGY    91  TYR  HN        5.5   (#   256:10  Unique)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  10-2:257  91  TYR  HN        5.5   (#   257:10  Single)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1147,1148,1177,1178,
 &end
#
#    78  ARG  HN     91  TYR  HN        3.5   (#   258:10  Unique)
 &rst
  ixpk= 258, nxpk= 10, iat=1143,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    66  LYS  HN     65  GLN  HN        3.5   (#   260:10  Unique)
 &rst
  ixpk= 260, nxpk= 10, iat= 997, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HB2    65  GLN  HN        3.5   (#   261:10  Unique)
 &rst
  ixpk= 261, nxpk= 10, iat= 967, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    49  TRP  HZ3    50  ALA  HN        4.5   (#   267:10  Unique)
 &rst
  ixpk= 267, nxpk= 10, iat= 751, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    91  TYR  HE     91  TYR  HN        4.5   (#   269:10  Unique)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1377,1382,
 &end
#
#    91  TYR  HD     91  TYR  HN        3.5   (#   271:10  Unique)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1375,1384,
 &end
#
#    90  VAL  HA     91  TYR  HN        2.8   (#   273:10  Unique)
 &rst
  ixpk= 273, nxpk= 10, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    90  VAL  MGX    91  TYR  HN        3.5   (#   274:10  Unique)
 &rst
  ixpk= 274, 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
#
#    64  MET  HN     65  GLN  HN        3.5   (#   276:10  Unique)
 &rst
  ixpk= 276, nxpk= 10, iat= 963, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:278  65  GLN  HN        2.8   (#   278:10  Single)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 965,
 &end
#
#    65  GLN  HG+    65  GLN  HN        3.5   (#   279:10  Unique)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#     0  AMB  10-2:280  65  GLN  HN        4.5   (#   280:10  Single)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1047,1026,1027,
 &end
#
#    65  GLN  HB2    65  GLN  HN        3.5   (#   281:10  Unique)
 &rst
  ixpk= 281, nxpk= 10, iat= 984, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    65  GLN  HG-    65  GLN  HN        3.5   (#   282:10  Unique)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#    64  MET  HB3    65  GLN  HN        4.5   (#   283:10  Unique)
 &rst
  ixpk= 283, nxpk= 10, iat= 968, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    28  HIS  HN     70  ASP  HN        4.5   (#   284:10  Unique)
 &rst
  ixpk= 284, nxpk= 10, iat= 424,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    70  ASP  HA     70  ASP  HN        3.5   (#   285:10  Unique)
 &rst
  ixpk= 285, nxpk= 10, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HB2    70  ASP  HN        4.5   (#   286:10  Unique)
 &rst
  ixpk= 286, nxpk= 10, iat= 428,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    69  CYS  HB3    70  ASP  HN        3.5   (#   287:10  Unique)
 &rst
  ixpk= 287, 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   (#   288:10  Unique)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1058,1059,
 &end
#
#    36  PRO  HA     37  ALA  HN        3.5   (#   291:10  Unique)
 &rst
  ixpk= 291, nxpk= 10, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:292  37  ALA  HN        3.5   (#   292:10  Single)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547, 548, 522, 523, 524,
 &end
#
#   107  GLU  HA    107  GLU  HN        2.8   (#   299:10  Unique)
 &rst
  ixpk= 299, nxpk= 10, iat=1596,1594, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:300 107  GLU  HN        5.5   (#   300:10  Single)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1660,1661,1616,1617,1657,1658,1619,1620,1635,
 &end
#
#   106  THR  HN    107  GLU  HN        3.5   (#   301:10  Unique)
 &rst
  ixpk= 301, nxpk= 10, iat=1580,1594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HA    107  GLU  HN        4.5   (#   302:10  Unique)
 &rst
  ixpk= 302, 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   (#   303:10  Unique)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#   107  GLU  HG-   107  GLU  HN        3.5   (#   304:10  Unique)
 &rst
  ixpk= 304, 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   (#   305:10  Unique)
 &rst
  ixpk= 305, 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   (#   306:10  Unique)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#    69  CYS  HA     70  ASP  HN        2.8   (#   308:10  Unique)
 &rst
  ixpk= 308, nxpk= 10, iat=1045,1054, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    70  ASP  HB+    70  ASP  HN        3.5   (#   309:10  Unique)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1058,1059,
 &end
#
#   104  ILE  HN    103  ALA  HN        3.5   (#   310:10  Unique)
 &rst
  ixpk= 310, nxpk= 10, iat=1550,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   102  HIS  HN    103  ALA  HN        4.5   (#   311:10  Unique)
 &rst
  ixpk= 311, nxpk= 10, iat=1523,1540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:313 103  ALA  HN        4.5   (#   313:10  Single)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1508,1525,
 &end
#
#   103  ALA  HA    103  ALA  HN        3.5   (#   314:10  Unique)
 &rst
  ixpk= 314, nxpk= 10, iat=1542,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    79  ILE  HB     79  ILE  HN        3.5   (#   318:10  Unique)
 &rst
  ixpk= 318, nxpk= 10, iat=1171,1167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    78  ARG  HG+    79  ILE  HN        3.5   (#   321:10  Unique)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1150,1151,
 &end
#
#    32  ARG  HA     32  ARG  HN        5.5   (#   328:10  Unique)
 &rst
  ixpk= 328, nxpk= 10, iat= 478, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    31  PRO  HA     32  ARG  HN        3.5   (#   329:10  Unique)
 &rst
  ixpk= 329, nxpk= 10, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    32  ARG  HG+    32  ARG  HN        5.5   (#   330:10  Unique)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 483, 484,
 &end
#
#     0  AMB  10-2:331  32  ARG  HN        4.5   (#   331:10  Single)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 480, 481, 469, 470,
 &end
#
#    32  ARG  HB-    32  ARG  HN        4.5   (#   332:10  Unique)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#    20  PHE  HA     20  PHE  HN        3.5   (#   333:10  Unique)
 &rst
  ixpk= 333, nxpk= 10, iat= 269, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    19  VAL  MG1    20  PHE  HN        3.5   (#   334:10  Unique)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 257, 258, 259,
 &end
#
#    79  ILE  HN     20  PHE  HN        3.5   (#   335:10  Unique)
 &rst
  ixpk= 335, nxpk= 10, iat=1167, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    19  VAL  HA     20  PHE  HN        2.8   (#   337:10  Unique)
 &rst
  ixpk= 337, nxpk= 10, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   124  GLY  HA+   125  TYR  HN        3.5   (#   339:10  Unique)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1879,1880,
 &end
#
#   124  GLY  HA+   125  TYR  HN        4.5   (#   344:10  Unique)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1879,1880,
 &end
#
#    91  TYR  HE    125  TYR  HN        4.5   (#   346:10  Unique)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1377,1382,
 &end
#
#     0  AMB  10-2:347 125  TYR  HN        4.5   (#   347:10  Single)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1886,1390,1391,
 &end
#
#   124  GLY  HA-   125  TYR  HN        3.5   (#   348:10  Unique)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1879,1880,
 &end
#
#   125  TYR  HB+   125  TYR  HN        4.5   (#   349:10  Unique)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1888,1889,
 &end
#
#   125  TYR  HB-   125  TYR  HN        4.5   (#   350:10  Unique)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1888,1889,
 &end
#
#    89  HIS  HE1   121  ALA  HN        5.5   (#   351:10  Unique)
 &rst
  ixpk= 351, nxpk= 10, iat=1344,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    91  TYR  HA    121  ALA  HN        4.5   (#   352:10  Unique)
 &rst
  ixpk= 352, nxpk= 10, iat=1369,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   120  TRP  HB+   121  ALA  HN        2.8   (#   354:10  Unique)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1821,1822,
 &end
#
#   120  TRP  HZ3   121  ALA  HN        5.5   (#   355:10  Unique)
 &rst
  ixpk= 355, nxpk= 10, iat=1834,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HA    121  ALA  HN        2.8   (#   356:10  Unique)
 &rst
  ixpk= 356, nxpk= 10, iat=1819,1841, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   121  ALA  HA    121  ALA  HN        4.5   (#   357:10  Unique)
 &rst
  ixpk= 357, nxpk= 10, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   121  ALA  MB    121  ALA  HN        3.5   (#   358:10  Unique)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#    43  ILE  HG1-   44  VAL  HN        5.5   (#   366:10  Unique)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
#    44  VAL  MGY    44  VAL  HN        3.5   (#   368:10  Unique)
 &rst
  ixpk= 368, 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  10-2:369  44  VAL  HN        3.5   (#   369:10  Single)
 &rst
  ixpk= 369, 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  10-2:370  44  VAL  HN        4.5   (#   370:10  Single)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 638, 639, 640,1641,1642,
 &end
#
#   108  LYS  HN    109  ILE  HN        3.5   (#   372:10  Unique)
 &rst
  ixpk= 372, nxpk= 10, iat=1609,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:373 109  ILE  HN        2.8   (#   373:10  Single)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1641,1642,1613,
 &end
#
#     0  AMB  10-2:374 109  ILE  HN        2.8   (#   374:10  Single)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1635,1614,
 &end
#
#     0  AMB  10-2:375 109  ILE  HN        3.5   (#   375:10  Single)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 168, 169, 170, 172, 173, 174,1793,1794,1795,1797,
      1798,1799,1793,1794,1795,1797,1798,1799,
 &end
#
#   109  ILE  HG1-  109  ILE  HN        3.5   (#   376:10  Unique)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1641,1642,
 &end
#
#   109  ILE  QD1   109  ILE  HN        3.5   (#   377:10  Unique)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1644,1645,1646,
 &end
#
#   110  LYS  HN    109  ILE  HN        3.5   (#   378:10  Unique)
 &rst
  ixpk= 378, nxpk= 10, iat=1650,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:379 109  ILE  HN        3.5   (#   379:10  Single)
 &rst
  ixpk= 379, 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  10-2:380 109  ILE  HN        3.5   (#   380:10  Single)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1633,1582,
 &end
#
#    44  VAL  MGY   109  ILE  HN        5.5   (#   381:10  Unique)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    58  ASP  HB+    58  ASP  HN        2.8   (#   384:10  Unique)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#    57  TYR  HN     58  ASP  HN        3.5   (#   385:10  Unique)
 &rst
  ixpk= 385, nxpk= 10, iat= 862, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:386  58  ASP  HN        2.8   (#   386:10  Single)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 895, 870, 879,
 &end
#
#    55  ASP  HA     58  ASP  HN        5.5   (#   387:10  Unique)
 &rst
  ixpk= 387, nxpk= 10, iat= 833, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    58  ASP  HA     58  ASP  HN        2.8   (#   388:10  Unique)
 &rst
  ixpk= 388, nxpk= 10, iat= 885, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    57  TYR  HA     58  ASP  HN        4.5   (#   389:10  Unique)
 &rst
  ixpk= 389, nxpk= 10, iat= 864, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    57  TYR  HB3    58  ASP  HN        3.5   (#   390:10  Unique)
 &rst
  ixpk= 390, nxpk= 10, iat= 867, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    57  TYR  HB2    58  ASP  HN        4.5   (#   391:10  Unique)
 &rst
  ixpk= 391, nxpk= 10, iat= 866, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    58  ASP  HB-    58  ASP  HN        3.5   (#   392:10  Unique)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    54  ALA  MB     58  ASP  HN        4.5   (#   393:10  Unique)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 825, 826, 827,
 &end
#
#    45  ARG  HE     44  VAL  HN        4.5   (#   394:10  Unique)
 &rst
  ixpk= 394, nxpk= 10, iat= 673, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    43  ILE  HA     44  VAL  HN        2.8   (#   395:10  Unique)
 &rst
  ixpk= 395, nxpk= 10, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:397  44  VAL  HN        2.8   (#   397:10  Single)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 648, 629,
 &end
#
#     0  AMB  10-2:398  44  VAL  HN        3.5   (#   398:10  Single)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 152,
 &end
#
#     0  AMB  10-2:399  44  VAL  HN        3.5   (#   399:10  Single)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 650, 651, 652, 654, 655, 656, 168, 169, 170, 172,
       173, 174,
 &end
#
#    20  PHE  HB-    21  LYS  HN        3.5   (#   400:10  Unique)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 271, 272,
 &end
#
#    20  PHE  HA     21  LYS  HN        2.8   (#   402:10  Unique)
 &rst
  ixpk= 402, nxpk= 10, iat= 269, 287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    20  PHE  HB+    21  LYS  HN        4.5   (#   403:10  Unique)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 271, 272,
 &end
#
#    21  LYS  HB2    21  LYS  HN        3.5   (#   405:10  Unique)
 &rst
  ixpk= 405, nxpk= 10, iat= 291, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    79  ILE  HB     21  LYS  HN        7.0   (#   407:10  Unique)
 &rst
  ixpk= 407, nxpk= 10, iat=1171, 287, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    21  LYS  HB3    21  LYS  HN        3.5   (#   408:10  Unique)
 &rst
  ixpk= 408, nxpk= 10, iat= 292, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    39  GLU  HG+    39  GLU  HN        3.5   (#   409:10  Unique)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 569, 570,
 &end
#
#    39  GLU  HA     39  GLU  HN        3.5   (#   412:10  Unique)
 &rst
  ixpk= 412, nxpk= 10, iat= 564, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:413  39  GLU  HN        2.8   (#   413:10  Single)
 &rst
  ixpk= 413, 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   (#   414:10  Unique)
 &rst
  ixpk= 414, 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        3.5   (#   415:10  Unique)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#    38  ALA  MB     39  GLU  HN        4.5   (#   416:10  Unique)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 556, 557, 558,
 &end
#
#     0  AMB  10-2:417 110  LYS  HN        3.5   (#   417:10  Single)
 &rst
  ixpk= 417, 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
#
#   111  ALA  HN    110  LYS  HN        3.5   (#   418:10  Unique)
 &rst
  ixpk= 418, nxpk= 10, iat=1672,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   107  GLU  HA    110  LYS  HN        4.5   (#   419:10  Unique)
 &rst
  ixpk= 419, nxpk= 10, iat=1596,1650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HA    110  LYS  HN        3.5   (#   420:10  Unique)
 &rst
  ixpk= 420, nxpk= 10, iat=1652,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:421 110  LYS  HN        4.5   (#   421:10  Single)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1582,1633,
 &end
#
#   110  LYS  HB+   110  LYS  HN        2.8   (#   422:10  Unique)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1654,1655,
 &end
#
#   110  LYS  HB-   110  LYS  HN        2.8   (#   423:10  Unique)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1654,1655,
 &end
#
#     0  AMB  10-2:424 110  LYS  HN        2.8   (#   424:10  Single)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1657,1658,1635,
 &end
#
#   109  ILE  HN    110  LYS  HN        3.5   (#   425:10  Unique)
 &rst
  ixpk= 425, nxpk= 10, iat=1631,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   110  LYS  HG-   110  LYS  HN        3.5   (#   428:10  Unique)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1657,1658,
 &end
#
#    58  ASP  HB-    59  LYS  HN        3.5   (#   429:10  Unique)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    60  VAL  HN     59  LYS  HN        3.5   (#   430:10  Unique)
 &rst
  ixpk= 430, nxpk= 10, iat= 917, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    58  ASP  HB+    59  LYS  HN        3.5   (#   431:10  Unique)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    19  VAL  MG2    19  VAL  HN        3.5   (#   432:10  Unique)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 261, 262, 263,
 &end
#
#    19  VAL  MG1    19  VAL  HN        4.5   (#   433:10  Unique)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 257, 258, 259,
 &end
#
#    19  VAL  HA     19  VAL  HN        4.5   (#   435:10  Unique)
 &rst
  ixpk= 435, nxpk= 10, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    80  SER  HB+    19  VAL  HN        5.5   (#   437:10  Unique)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1190,1191,
 &end
#
#    19  VAL  HB     19  VAL  HN        2.8   (#   438:10  Unique)
 &rst
  ixpk= 438, nxpk= 10, iat= 255, 251, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    58  ASP  HN     59  LYS  HN        3.5   (#   439:10  Unique)
 &rst
  ixpk= 439, nxpk= 10, iat= 883, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:441  59  LYS  HN        2.8   (#   441:10  Single)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 897, 885,
 &end
#
#    59  LYS  HB+    59  LYS  HN        2.8   (#   442:10  Unique)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#    59  LYS  HG+    59  LYS  HN        4.5   (#   443:10  Unique)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
#     6  LEU  HN      7  ALA  HN        3.5   (#   444:10  Unique)
 &rst
  ixpk= 444, nxpk= 10, iat=  69,  88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  HN      7  ALA  HN        3.5   (#   446:10  Unique)
 &rst
  ixpk= 446, nxpk= 10, iat=  98,  88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     5  ASP  HA      7  ALA  HN        4.5   (#   447:10  Unique)
 &rst
  ixpk= 447, 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   (#   448:10  Unique)
 &rst
  ixpk= 448, nxpk= 10, iat=  90,  88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     6  LEU  HA      7  ALA  HN        5.5   (#   449:10  Unique)
 &rst
  ixpk= 449, nxpk= 10, iat=  71,  88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     6  LEU  HB2     7  ALA  HN        3.5   (#   450:10  Unique)
 &rst
  ixpk= 450, nxpk= 10, iat=  73,  88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:451   7  ALA  HN        4.5   (#   451:10  Single)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128, 598, 599,
 &end
#
#     7  ALA  MB      7  ALA  HN        2.8   (#   452:10  Unique)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  92,  93,  94,
 &end
#
#     6  LEU  HB3     7  ALA  HN        4.5   (#   453:10  Unique)
 &rst
  ixpk= 453, nxpk= 10, iat=  74,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    42  GLU  HB-    42  GLU  HN        3.5   (#   454:10  Unique)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 614, 615,
 &end
#
#     0  AMB  10-2:455  42  GLU  HN        5.5   (#   455:10  Single)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 631, 632, 633,1556,1557,1558,  78,  79,  80,  82,
        83,  84,1563,1564,1565,
 &end
#
#    42  GLU  HA     42  GLU  HN        3.5   (#   457:10  Unique)
 &rst
  ixpk= 457, nxpk= 10, iat= 612, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    41  LYS  HA     42  GLU  HN        2.8   (#   458:10  Unique)
 &rst
  ixpk= 458, nxpk= 10, iat= 590, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    42  GLU  HG+    42  GLU  HN        4.5   (#   459:10  Unique)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#     0  AMB  10-2:460  42  GLU  HN        2.8   (#   460:10  Single)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615, 617, 618,
 &end
#
#    41  LYS  HG-    42  GLU  HN        4.5   (#   461:10  Unique)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#     8  LEU  MDX     5  ASP  HN        5.5   (#   462:10  Unique)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#     5  ASP  HA      5  ASP  HN        3.5   (#   463:10  Unique)
 &rst
  ixpk= 463, nxpk= 10, iat=  59,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     4  ALA  HA      5  ASP  HN        2.8   (#   464:10  Unique)
 &rst
  ixpk= 464, nxpk= 10, iat=  49,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     5  ASP  HB+     5  ASP  HN        3.5   (#   465:10  Unique)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#     5  ASP  HB-     5  ASP  HN        3.5   (#   466:10  Unique)
 &rst
  ixpk= 466, 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        2.8   (#   467:10  Unique)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#     2  ALA  HA      3  VAL  HN        2.8   (#   472:10  Unique)
 &rst
  ixpk= 472, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     3  VAL  HA      3  VAL  HN        3.5   (#   473:10  Unique)
 &rst
  ixpk= 473, nxpk= 10, iat=  33,  31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     3  VAL  HB      3  VAL  HN        3.5   (#   474:10  Unique)
 &rst
  ixpk= 474, 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   (#   475:10  Unique)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  25,  26,  27,
 &end
#
#     0  AMB  10-2:476   3  VAL  HN        2.8   (#   476:10  Single)
 &rst
  ixpk= 476, 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
#
#   101  GLN  HA    101  GLN  HN        3.5   (#   478:10  Unique)
 &rst
  ixpk= 478, nxpk= 10, iat=1508,1506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   101  GLN  HG+   101  GLN  HN        4.5   (#   479:10  Unique)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1513,1514,
 &end
#
#   101  GLN  HB-   101  GLN  HN        2.8   (#   480:10  Unique)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#   100  ALA  MB    101  GLN  HN        2.8   (#   481:10  Unique)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1500,1501,1502,
 &end
#
#   100  ALA  HA    101  GLN  HN        2.8   (#   482:10  Unique)
 &rst
  ixpk= 482, nxpk= 10, iat=1498,1506, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   101  GLN  HG-   101  GLN  HN        4.5   (#   483:10  Unique)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1513,1514,
 &end
#
#   101  GLN  HB+   101  GLN  HN        3.5   (#   484:10  Unique)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1510,1511,
 &end
#
#   118  VAL  MGX   119  THR  HN        3.5   (#   486:10  Unique)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#    89  HIS  HA    119  THR  HN        3.5   (#   487:10  Unique)
 &rst
  ixpk= 487, nxpk= 10, iat=1336,1803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   118  VAL  HA    119  THR  HN        2.8   (#   488:10  Unique)
 &rst
  ixpk= 488, nxpk= 10, iat=1789,1803, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   119  THR  HA    119  THR  HN        4.5   (#   489:10  Unique)
 &rst
  ixpk= 489, nxpk= 10, iat=1805,1803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:490 119  THR  HN        3.5   (#   490:10  Single)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#    65  GLN  HN     64  MET  HN        3.5   (#   491:10  Unique)
 &rst
  ixpk= 491, nxpk= 10, iat= 980, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HG-    64  MET  HN        3.5   (#   492:10  Unique)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#    63  ASP  HN     64  MET  HN        3.5   (#   494:10  Unique)
 &rst
  ixpk= 494, nxpk= 10, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HA     64  MET  HN        3.5   (#   495:10  Unique)
 &rst
  ixpk= 495, nxpk= 10, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    61  SER  HA     64  MET  HN        4.5   (#   496:10  Unique)
 &rst
  ixpk= 496, nxpk= 10, iat= 935, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    63  ASP  HB3    64  MET  HN        3.5   (#   497:10  Unique)
 &rst
  ixpk= 497, nxpk= 10, iat= 956, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HG+    64  MET  HN        2.8   (#   498:10  Unique)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 970, 971,
 &end
#
#    64  MET  HB2    64  MET  HN        3.5   (#   499:10  Unique)
 &rst
  ixpk= 499, nxpk= 10, iat= 967, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  ME     64  MET  HN        4.5   (#   500:10  Unique)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#    63  ASP  HA     64  MET  HN        4.5   (#   501:10  Unique)
 &rst
  ixpk= 501, nxpk= 10, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:502  64  MET  HN        4.5   (#   502:10  Single)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 923, 924, 925, 927, 928, 929, 371, 372, 373,
 &end
#
#    77  GLY  HN     22  TYR  HN        4.5   (#   503:10  Unique)
 &rst
  ixpk= 503, nxpk= 10, iat=1136, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    21  LYS  HA     22  TYR  HN        2.8   (#   504:10  Unique)
 &rst
  ixpk= 504, nxpk= 10, iat= 289, 309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    22  TYR  HE     22  TYR  HN        5.5   (#   506:10  Unique)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 319, 324,
 &end
#
#    22  TYR  HA     22  TYR  HN        4.5   (#   507:10  Unique)
 &rst
  ixpk= 507, nxpk= 10, iat= 311, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    21  LYS  HB3    22  TYR  HN        4.5   (#   509:10  Unique)
 &rst
  ixpk= 509, nxpk= 10, iat= 292, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    65  GLN  HB2    66  LYS  HN        4.5   (#   512:10  Unique)
 &rst
  ixpk= 512, nxpk= 10, iat= 984, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    66  LYS  HB+    66  LYS  HN        2.8   (#   513:10  Unique)
 &rst
  ixpk= 513, 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        3.5   (#   514:10  Unique)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1004,1005,
 &end
#
#    65  GLN  HN     66  LYS  HN        3.5   (#   515:10  Unique)
 &rst
  ixpk= 515, 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   (#   516:10  Unique)
 &rst
  ixpk= 516, nxpk= 10, iat=1019, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HA     66  LYS  HN        5.5   (#   517:10  Unique)
 &rst
  ixpk= 517, nxpk= 10, iat= 953, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:518  66  LYS  HN        4.5   (#   518:10  Single)
 &rst
  ixpk= 518, 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        3.5   (#   519:10  Unique)
 &rst
  ixpk= 519, nxpk= 10, iat= 999, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    65  GLN  HB3    66  LYS  HN        4.5   (#   520:10  Unique)
 &rst
  ixpk= 520, nxpk= 10, iat= 985, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    66  LYS  HG-    66  LYS  HN        4.5   (#   521:10  Unique)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1004,1005,
 &end
#
#   103  ALA  HN    104  ILE  HN        3.5   (#   522:10  Unique)
 &rst
  ixpk= 522, nxpk= 10, iat=1540,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:524 104  ILE  HN        5.5   (#   524:10  Single)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1594,1609,1832,
 &end
#
#     0  AMB  10-2:525 104  ILE  HN        4.5   (#   525:10  Single)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1525,1508,
 &end
#
#   104  ILE  HA    104  ILE  HN        3.5   (#   526:10  Unique)
 &rst
  ixpk= 526, nxpk= 10, iat=1552,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:527 104  ILE  HN        2.8   (#   527:10  Single)
 &rst
  ixpk= 527, 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   (#   528:10  Unique)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#     0  AMB  10-2:529 104  ILE  HN        3.5   (#   529:10  Single)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,1556,
      1557,1558,
 &end
#
#   105  SER  HN    104  ILE  HN        3.5   (#   530:10  Unique)
 &rst
  ixpk= 530, nxpk= 10, iat=1569,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   104  ILE  HG1-  104  ILE  HN        3.5   (#   531:10  Unique)
 &rst
  ixpk= 531, 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   (#   532:10  Unique)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1544,1545,1546,
 &end
#
#    72  GLU  HB+    72  GLU  HN        4.5   (#   534:10  Unique)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1081,1082,
 &end
#
#    71  CYS  HA     72  GLU  HN        2.8   (#   536:10  Unique)
 &rst
  ixpk= 536, nxpk= 10, iat=1068,1077, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    71  CYS  HB2    72  GLU  HN        4.5   (#   538:10  Unique)
 &rst
  ixpk= 538, nxpk= 10, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    71  CYS  HB3    72  GLU  HN        3.5   (#   539:10  Unique)
 &rst
  ixpk= 539, nxpk= 10, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    72  GLU  HB-    72  GLU  HN        3.5   (#   540:10  Unique)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#    25  ILE  QG2    72  GLU  HN        3.5   (#   541:10  Unique)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 371, 372, 373,
 &end
#
#    26  ARG  HN     72  GLU  HN        3.5   (#   542:10  Unique)
 &rst
  ixpk= 542, nxpk= 10, iat= 384,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:543  72  GLU  HN        3.5   (#   543:10  Single)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1084,1085,1084,1085,
 &end
#
#   122  ASN  HN    123  ASP  HN        5.5   (#   544:10  Unique)
 &rst
  ixpk= 544, nxpk= 10, iat=1851,1865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   122  ASN  HA    123  ASP  HN        3.5   (#   547:10  Unique)
 &rst
  ixpk= 547, nxpk= 10, iat=1853,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   123  ASP  HA    123  ASP  HN        3.5   (#   548:10  Unique)
 &rst
  ixpk= 548, nxpk= 10, iat=1867,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   123  ASP  HB+   123  ASP  HN        3.5   (#   549:10  Unique)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1869,1870,
 &end
#
#   121  ALA  MB    123  ASP  HN        4.5   (#   550:10  Unique)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#     0  AMB  10-2:551  57  TYR  HN        4.5   (#   551:10  Single)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 895, 870, 879,
 &end
#
#    54  ALA  HA     57  TYR  HN        4.5   (#   552:10  Unique)
 &rst
  ixpk= 552, nxpk= 10, iat= 823, 862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    56  ILE  HG1-   57  TYR  HN        5.5   (#   553:10  Unique)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#    57  TYR  HA     57  TYR  HN        3.5   (#   554:10  Unique)
 &rst
  ixpk= 554, nxpk= 10, iat= 864, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   122  ASN  HN    123  ASP  HN        4.5   (#   555:10  Unique)
 &rst
  ixpk= 555, nxpk= 10, iat=1851,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   123  ASP  HA    123  ASP  HN        4.5   (#   557:10  Unique)
 &rst
  ixpk= 557, nxpk= 10, iat=1867,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   122  ASN  HA    123  ASP  HN        3.5   (#   558:10  Unique)
 &rst
  ixpk= 558, nxpk= 10, iat=1853,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:559 123  ASP  HN        4.5   (#   559:10  Single)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1371,1372,1855,1856,
 &end
#
#   123  ASP  HB+   123  ASP  HN        3.5   (#   560:10  Unique)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1869,1870,
 &end
#
#   121  ALA  MB    123  ASP  HN        3.5   (#   561:10  Unique)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#    61  SER  HN     60  VAL  HN        3.5   (#   562:10  Unique)
 &rst
  ixpk= 562, nxpk= 10, iat= 933, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    59  LYS  HN     60  VAL  HN        3.5   (#   564:10  Unique)
 &rst
  ixpk= 564, nxpk= 10, iat= 895, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:565  60  VAL  HN        4.5   (#   565:10  Single)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 885,
 &end
#
#     0  AMB  10-2:566  60  VAL  HN        3.5   (#   566:10  Single)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 919, 864,
 &end
#
#    59  LYS  HB+    60  VAL  HN        2.8   (#   567:10  Unique)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#    60  VAL  HB     60  VAL  HN        3.5   (#   568:10  Unique)
 &rst
  ixpk= 568, nxpk= 10, iat= 921, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    59  LYS  HG+    60  VAL  HN        4.5   (#   569:10  Unique)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
#    60  VAL  MGY    60  VAL  HN        2.8   (#   570:10  Unique)
 &rst
  ixpk= 570, 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   (#   571:10  Unique)
 &rst
  ixpk= 571, 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
#
#     0  AMB  10-2:572  60  VAL  HN        5.5   (#   572:10  Single)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 378, 379, 380, 336, 337, 338, 340, 341, 342,
 &end
#
#    57  TYR  HB3    57  TYR  HN        3.5   (#   573:10  Unique)
 &rst
  ixpk= 573, nxpk= 10, iat= 867, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    58  ASP  HN     57  TYR  HN        3.5   (#   574:10  Unique)
 &rst
  ixpk= 574, nxpk= 10, iat= 883, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    56  ILE  HN     57  TYR  HN        2.8   (#   576:10  Unique)
 &rst
  ixpk= 576, nxpk= 10, iat= 843, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    57  TYR  HB2    57  TYR  HN        2.8   (#   577:10  Unique)
 &rst
  ixpk= 577, nxpk= 10, iat= 866, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    56  ILE  HB     57  TYR  HN        3.5   (#   578:10  Unique)
 &rst
  ixpk= 578, nxpk= 10, iat= 847, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:579  57  TYR  HN        3.5   (#   579:10  Single)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 862, 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
#
#   123  ASP  HN    122  ASN  HN        4.5   (#   580:10  Unique)
 &rst
  ixpk= 580, nxpk= 10, iat=1865,1851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   121  ALA  HA    122  ASN  HN        2.8   (#   582:10  Unique)
 &rst
  ixpk= 582, nxpk= 10, iat=1843,1851, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   122  ASN  HB+   122  ASN  HN        3.5   (#   583:10  Unique)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#   122  ASN  HB-   122  ASN  HN        3.5   (#   584:10  Unique)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#   121  ALA  MB    122  ASN  HN        3.5   (#   585:10  Unique)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#   122  ASN  HA    122  ASN  HN        4.5   (#   586:10  Unique)
 &rst
  ixpk= 586, nxpk= 10, iat=1853,1851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   112  LYS  HN    113  TYR  HN        2.8   (#   588:10  Unique)
 &rst
  ixpk= 588, nxpk= 10, iat=1682,1704, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   112  LYS  HB+   113  TYR  HN        3.5   (#   589:10  Unique)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#     0  AMB  10-2:590 113  TYR  HN        4.5   (#   590:10  Single)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1684,1674,
 &end
#
#   112  LYS  HB-   113  TYR  HN        4.5   (#   592:10  Unique)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1686,1687,
 &end
#
#    79  ILE  HA     80  SER  HN        2.8   (#   593:10  Unique)
 &rst
  ixpk= 593, nxpk= 10, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    80  SER  HB-    80  SER  HN        4.5   (#   594:10  Unique)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1190,1191,
 &end
#
#     0  AMB  10-2:595  80  SER  HN        5.5   (#   595:10  Single)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1321,1322,1323,1171,1357,1358,1359,1361,1362,1363,
      
 &end
#
#    79  ILE  QG2    80  SER  HN        3.5   (#   596:10  Unique)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1173,1174,1175,
 &end
#
#    80  SER  HB+    80  SER  HN        3.5   (#   597:10  Unique)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1190,1191,
 &end
#
#   113  TYR  HN    112  LYS  HN        2.8   (#   599:10  Unique)
 &rst
  ixpk= 599, nxpk= 10, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   112  LYS  HB+   112  LYS  HN        3.5   (#   601:10  Unique)
 &rst
  ixpk= 601, 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   (#   602:10  Unique)
 &rst
  ixpk= 602, 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        3.5   (#   603:10  Unique)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1676,1677,1678,
 &end
#
#   111  ALA  HN    112  LYS  HN        3.5   (#   604:10  Unique)
 &rst
  ixpk= 604, nxpk= 10, iat=1672,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:605 112  LYS  HN        3.5   (#   605:10  Single)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1684,1674,
 &end
#
#   112  LYS  HG+   112  LYS  HN        4.5   (#   606:10  Unique)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1689,1690,
 &end
#
#    68  GLY  HA-    69  CYS  HN        4.5   (#   612:10  Unique)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1038,1039,
 &end
#
#    69  CYS  HB2    69  CYS  HN        3.5   (#   613:10  Unique)
 &rst
  ixpk= 613, nxpk= 10, iat=1047,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    64  MET  HB3    69  CYS  HN        4.5   (#   614:10  Unique)
 &rst
  ixpk= 614, nxpk= 10, iat= 968,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    69  CYS  HA     69  CYS  HN        4.5   (#   616:10  Unique)
 &rst
  ixpk= 616, nxpk= 10, iat=1045,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    65  GLN  HA     69  CYS  HN        3.5   (#   617:10  Unique)
 &rst
  ixpk= 617, nxpk= 10, iat= 982,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    68  GLY  HA+    69  CYS  HN        4.5   (#   618:10  Unique)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1038,1039,
 &end
#
#    69  CYS  HB3    69  CYS  HN        4.5   (#   619:10  Unique)
 &rst
  ixpk= 619, nxpk= 10, iat=1048,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   110  LYS  HB+   111  ALA  HN        3.5   (#   620:10  Unique)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#     0  AMB  10-2:621 111  ALA  HN        4.5   (#   621:10  Single)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1657,1658,1686,1687,1660,1661,1614,1616,1617,
 &end
#
#   110  LYS  HN    111  ALA  HN        3.5   (#   622:10  Unique)
 &rst
  ixpk= 622, nxpk= 10, iat=1650,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   112  LYS  HN    111  ALA  HN        3.5   (#   623:10  Unique)
 &rst
  ixpk= 623, nxpk= 10, iat=1682,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:625 111  ALA  HN        2.8   (#   625:10  Single)
 &rst
  ixpk= 625, 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   (#   626:10  Unique)
 &rst
  ixpk= 626, 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   (#   627:10  Unique)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#     0  AMB  10-2:628  41  LYS  HN        4.5   (#   628:10  Single)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 386,
 &end
#
#    50  ALA  MB     52  TYR  HN        3.5   (#   629:10  Unique)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#    52  TYR  HD     52  TYR  HN        3.5   (#   631:10  Unique)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 800,
 &end
#
#    50  ALA  HA     52  TYR  HN        3.5   (#   632:10  Unique)
 &rst
  ixpk= 632, nxpk= 10, iat= 760, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    51  GLU  HN     52  TYR  HN        2.8   (#   633:10  Unique)
 &rst
  ixpk= 633, nxpk= 10, iat= 768, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    55  ASP  HN     52  TYR  HN        5.5   (#   634:10  Unique)
 &rst
  ixpk= 634, nxpk= 10, iat= 831, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    51  GLU  HA     52  TYR  HN        4.5   (#   635:10  Unique)
 &rst
  ixpk= 635, nxpk= 10, iat= 770, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    55  ASP  HB3    52  TYR  HN        3.5   (#   636:10  Unique)
 &rst
  ixpk= 636, nxpk= 10, iat= 836, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    52  TYR  HB+    52  TYR  HN        3.5   (#   637:10  Unique)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#     0  AMB  10-2:638  52  TYR  HN        3.5   (#   638:10  Single)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773, 775, 776,
 &end
#
#     0  AMB  10-2:639  52  TYR  HN        3.5   (#   639:10  Single)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773, 775, 776,
 &end
#
#    52  TYR  HA     52  TYR  HN        4.5   (#   640:10  Unique)
 &rst
  ixpk= 640, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    52  TYR  HB-    52  TYR  HN        3.5   (#   641:10  Unique)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#    14  ILE  HA     14  ILE  HN        4.5   (#   642:10  Unique)
 &rst
  ixpk= 642, nxpk= 10, iat= 192, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    13  ASP  HA     14  ILE  HN        2.8   (#   643:10  Unique)
 &rst
  ixpk= 643, nxpk= 10, iat= 180, 190, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:644   0  AMB  10-1:644     2.8   (#   644:10  Double)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 200, 201, 168, 169, 170, 172, 173, 174,
 igr2= 190, 162,
 &end
#
#     0  AMB  10-2:645   0  AMB  10-1:645     4.5   (#   645:10  Double)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 143, 144, 182,
 igr2= 162, 190,
 &end
#
#    27  VAL  HN     41  LYS  HN        3.5   (#   647:10  Unique)
 &rst
  ixpk= 647, 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   (#   649:10  Unique)
 &rst
  ixpk= 649, nxpk= 10, iat= 579, 588, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    41  LYS  HA     41  LYS  HN        4.5   (#   650:10  Unique)
 &rst
  ixpk= 650, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    40  SER  HB2    41  LYS  HN        3.5   (#   651:10  Unique)
 &rst
  ixpk= 651, nxpk= 10, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    41  LYS  HB+    41  LYS  HN        4.5   (#   652:10  Unique)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 592, 593,
 &end
#
#     0  AMB  10-2:653  41  LYS  HN        3.5   (#   653:10  Single)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 391, 392, 414, 415, 416, 418, 419, 420,
 &end
#
#     6  LEU  MDX    41  LYS  HN        3.5   (#   654:10  Unique)
 &rst
  ixpk= 654, 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
#
#    40  SER  HB3    41  LYS  HN        3.5   (#   655:10  Unique)
 &rst
  ixpk= 655, nxpk= 10, iat= 582, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    41  LYS  HG+    41  LYS  HN        4.5   (#   656:10  Unique)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#    11  ASP  HB-    12  VAL  HN        4.5   (#   658:10  Unique)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 154, 155,
 &end
#
#     0  AMB  10-2:659   0  AMB  10-1:659     2.8   (#   659:10  Double)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 200, 201, 143, 144,
 igr2= 190, 162,
 &end
#
#    12  VAL  HA     12  VAL  HN        3.5   (#   661:10  Unique)
 &rst
  ixpk= 661, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:662  12  VAL  HN        3.5   (#   662:10  Single)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 154, 155,1695,1696,
 &end
#
#    10  PRO  HB-    12  VAL  HN        4.5   (#   663:10  Unique)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 143, 144,
 &end
#
#    12  VAL  HB     12  VAL  HN        2.8   (#   664:10  Unique)
 &rst
  ixpk= 664, nxpk= 10, iat= 166, 162, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:665   0  AMB  10-1:665     2.8   (#   665:10  Double)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 igr2= 162, 190,
 &end
#
#    46  GLY  HA+    47  TYR  HN        2.8   (#   668:10  Unique)
 &rst
  ixpk= 668, 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        3.5   (#   669:10  Unique)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 686, 687,
 &end
#
#    56  ILE  QD1    47  TYR  HN        2.8   (#   670:10  Unique)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 856, 857, 858,
 &end
#
#    47  TYR  HD     47  TYR  HN        3.5   (#   671:10  Unique)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 708,
 &end
#
#     0  AMB  10-2:672  47  TYR  HN        4.5   (#   672:10  Single)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 693, 311,
 &end
#
#     0  AMB  10-2:673  47  TYR  HN        3.5   (#   673:10  Single)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 762, 763, 764, 849, 850, 851,
 &end
#
#    71  CYS  HA     71  CYS  HN        4.5   (#   676:10  Unique)
 &rst
  ixpk= 676, nxpk= 10, iat=1068,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    70  ASP  HA     71  CYS  HN        2.8   (#   677:10  Unique)
 &rst
  ixpk= 677, nxpk= 10, iat=1056,1066, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:678  71  CYS  HN        3.5   (#   678:10  Single)
 &rst
  ixpk= 678, 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   (#   679:10  Unique)
 &rst
  ixpk= 679, 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   (#   682:10  Unique)
 &rst
  ixpk= 682, nxpk= 10, iat=1070,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   108  LYS  HD-   108  LYS  HN        4.5   (#   683:10  Unique)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1619,1620,
 &end
#
#   108  LYS  HA    108  LYS  HN        3.5   (#   684:10  Unique)
 &rst
  ixpk= 684, 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   (#   685:10  Unique)
 &rst
  ixpk= 685, 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   (#   686:10  Unique)
 &rst
  ixpk= 686, nxpk= 10, iat=1613,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   109  ILE  HN    108  LYS  HN        3.5   (#   687:10  Unique)
 &rst
  ixpk= 687, nxpk= 10, iat=1631,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:688   0  AMB  10-1:688     2.8   (#   688:10  Double)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 853, 854,1616,1617,
 igr2= 843,1609,
 &end
#
#   108  LYS  HG+   108  LYS  HN        3.5   (#   689:10  Unique)
 &rst
  ixpk= 689, 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   (#   690:10  Unique)
 &rst
  ixpk= 690, nxpk= 10, iat= 862, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    53  HIS  HA     56  ILE  HN        4.5   (#   692:10  Unique)
 &rst
  ixpk= 692, nxpk= 10, iat= 806, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    55  ASP  HB3    56  ILE  HN        4.5   (#   693:10  Unique)
 &rst
  ixpk= 693, nxpk= 10, iat= 836, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    56  ILE  HB     56  ILE  HN        3.5   (#   694:10  Unique)
 &rst
  ixpk= 694, nxpk= 10, iat= 847, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:695  56  ILE  HN        3.5   (#   695:10  Single)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 762, 763, 764, 849, 850, 851,
 &end
#
#    56  ILE  HG1+   56  ILE  HN        3.5   (#   696:10  Unique)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 853, 854,
 &end
#
#     6  LEU  MDY    29  SER  HN        5.5   (#   697:10  Unique)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    29  SER  HB+    29  SER  HN        4.5   (#   698:10  Unique)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
#    29  SER  HB-    29  SER  HN        3.5   (#   699:10  Unique)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#    28  HIS  HB2    29  SER  HN        5.5   (#   700:10  Unique)
 &rst
  ixpk= 700, nxpk= 10, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    40  SER  HA     29  SER  HN        4.5   (#   702:10  Unique)
 &rst
  ixpk= 702, nxpk= 10, iat= 579, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    28  HIS  HA     29  SER  HN        2.8   (#   703:10  Unique)
 &rst
  ixpk= 703, 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   (#   704:10  Unique)
 &rst
  ixpk= 704, nxpk= 10, iat= 443, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    28  HIS  HB3    29  SER  HN        4.5   (#   705:10  Unique)
 &rst
  ixpk= 705, nxpk= 10, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     6  LEU  MDX    29  SER  HN        4.5   (#   706:10  Unique)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     0  AMB  10-2:713  55  ASP  HN        3.5   (#   713:10  Single)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 &end
#
#    54  ALA  HN     55  ASP  HN        4.5   (#   714:10  Unique)
 &rst
  ixpk= 714, nxpk= 10, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    52  TYR  HN     55  ASP  HN        5.5   (#   715:10  Unique)
 &rst
  ixpk= 715, nxpk= 10, iat= 783, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HA     55  ASP  HN        3.5   (#   716:10  Unique)
 &rst
  ixpk= 716, 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   (#   717:10  Unique)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#    55  ASP  HB3    55  ASP  HN        3.5   (#   718:10  Unique)
 &rst
  ixpk= 718, 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   (#   719:10  Unique)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#    54  ALA  MB     55  ASP  HN        3.5   (#   720:10  Unique)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 825, 826, 827,
 &end
#
#    55  ASP  HB2    55  ASP  HN        3.5   (#   721:10  Unique)
 &rst
  ixpk= 721, nxpk= 10, iat= 835, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     7  ALA  MB      8  LEU  HN        4.5   (#   724:10  Unique)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 &end
#
#     0  AMB  10-2:725   8  LEU  HN        3.5   (#   725:10  Single)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 107, 108, 109, 111, 112, 113, 130, 131, 132,
 &end
#
#     7  ALA  HN      8  LEU  HN        3.5   (#   726:10  Unique)
 &rst
  ixpk= 726, nxpk= 10, iat=  88,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     8  LEU  HA      8  LEU  HN        3.5   (#   728:10  Unique)
 &rst
  ixpk= 728, 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   (#   729:10  Unique)
 &rst
  ixpk= 729, 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   (#   730:10  Unique)
 &rst
  ixpk= 730, nxpk= 10, iat= 105,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     8  LEU  MDX     8  LEU  HN        3.5   (#   731:10  Unique)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    39  GLU  HA     40  SER  HN        2.8   (#   734:10  Unique)
 &rst
  ixpk= 734, nxpk= 10, iat= 564, 577, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    40  SER  HB3    40  SER  HN        4.5   (#   735:10  Unique)
 &rst
  ixpk= 735, nxpk= 10, iat= 582, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:736  40  SER  HN        4.5   (#   736:10  Single)
 &rst
  ixpk= 736, 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   (#   737:10  Unique)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#    39  GLU  HB-    40  SER  HN        4.5   (#   738:10  Unique)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 566, 567,
 &end
#
#     6  LEU  MDX    40  SER  HN        4.5   (#   739:10  Unique)
 &rst
  ixpk= 739, 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
#
#    40  SER  HA     40  SER  HN        3.5   (#   740:10  Unique)
 &rst
  ixpk= 740, nxpk= 10, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HA     67  GLN  HN        3.5   (#   741:10  Unique)
 &rst
  ixpk= 741, nxpk= 10, iat=1021,1019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:742  67  GLN  HN        4.5   (#   742:10  Single)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1004,1005,1007,1008,
 &end
#
#     0  AMB  10-2:743  67  GLN  HN        3.5   (#   743:10  Single)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 982,
 &end
#
#    68  GLY  HN     67  GLN  HN        2.8   (#   744:10  Unique)
 &rst
  ixpk= 744, nxpk= 10, iat=1036,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    66  LYS  HN     67  GLN  HN        3.5   (#   745:10  Unique)
 &rst
  ixpk= 745, nxpk= 10, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:747  67  GLN  HN        3.5   (#   747:10  Single)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 999,1038,1039,
 &end
#
#    67  GLN  HG+    67  GLN  HN        2.8   (#   748:10  Unique)
 &rst
  ixpk= 748, 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        3.5   (#   749:10  Unique)
 &rst
  ixpk= 749, nxpk= 10, iat=1023,1019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  HN     61  SER  HN        3.5   (#   751:10  Unique)
 &rst
  ixpk= 751, nxpk= 10, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:753  61  SER  HN        3.5   (#   753:10  Single)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 864, 919,
 &end
#
#    61  SER  HB+    61  SER  HN        3.5   (#   754:10  Unique)
 &rst
  ixpk= 754, 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        3.5   (#   755:10  Unique)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#    60  VAL  HB     61  SER  HN        3.5   (#   756:10  Unique)
 &rst
  ixpk= 756, nxpk= 10, iat= 921, 933, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    60  VAL  MGY    61  SER  HN        3.5   (#   757:10  Unique)
 &rst
  ixpk= 757, 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
#
#    25  ILE  QD1    61  SER  HN        4.5   (#   758:10  Unique)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 378, 379, 380,
 &end
#
#    62  GLY  HN     61  SER  HN        3.5   (#   759:10  Unique)
 &rst
  ixpk= 759, nxpk= 10, iat= 944, 933, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:760  61  SER  HN        2.8   (#   760:10  Single)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 935, 885,
 &end
#
#     0  AMB  10-2:761  61  SER  HN        3.5   (#   761:10  Single)
 &rst
  ixpk= 761, 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
#
#   105  SER  HB3   106  THR  HN        4.5   (#   764:10  Unique)
 &rst
  ixpk= 764, nxpk= 10, iat=1574,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   107  GLU  HN    106  THR  HN        3.5   (#   766:10  Unique)
 &rst
  ixpk= 766, nxpk= 10, iat=1594,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:767 106  THR  HN        3.5   (#   767:10  Single)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1584,1525,
 &end
#
#     0  AMB  10-2:768 106  THR  HN        3.5   (#   768:10  Single)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1542,1821,1822,1821,1822,
 &end
#
#   105  SER  HN    106  THR  HN        3.5   (#   769:10  Unique)
 &rst
  ixpk= 769, nxpk= 10, iat=1569,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   106  THR  HA    106  THR  HN        3.5   (#   770:10  Unique)
 &rst
  ixpk= 770, nxpk= 10, iat=1582,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   106  THR  MG2   106  THR  HN        3.5   (#   771:10  Unique)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#     0  AMB  10-2:772 106  THR  HN        4.5   (#   772:10  Single)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1793,1794,1795,1797,1798,1799,1544,1545,1546,
 &end
#
#    91  TYR  HE     93  TYR  HN        7.0   (#   773:10  Unique)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1377,1382,
 &end
#
#    92  GLY  HA-    93  TYR  HN        3.5   (#   774:10  Unique)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
#     0  AMB  10-2:777  93  TYR  HN        4.5   (#   777:10  Single)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1138,1139,1879,1880,
 &end
#
#     0  AMB  10-2:778  93  TYR  HN        2.8   (#   778:10  Single)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1390,1391,1886,
 &end
#
#     0  AMB  10-2:779  93  TYR  HN        3.5   (#   779:10  Single)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1138,1139,1879,1880,
 &end
#
#   106  THR  HN    105  SER  HN        3.5   (#   780:10  Unique)
 &rst
  ixpk= 780, 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   (#   781:10  Unique)
 &rst
  ixpk= 781, nxpk= 10, iat=1550,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   102  HIS  HA    105  SER  HN        3.5   (#   783:10  Unique)
 &rst
  ixpk= 783, nxpk= 10, iat=1525,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HA    105  SER  HN        3.5   (#   784:10  Unique)
 &rst
  ixpk= 784, nxpk= 10, iat=1571,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   105  SER  HB3   105  SER  HN        3.5   (#   785:10  Unique)
 &rst
  ixpk= 785, 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   (#   786:10  Unique)
 &rst
  ixpk= 786, nxpk= 10, iat=1554,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    44  VAL  MGY   105  SER  HN        5.5   (#   787:10  Unique)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   105  SER  HB2   105  SER  HN        3.5   (#   789:10  Unique)
 &rst
  ixpk= 789, nxpk= 10, iat=1573,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    22  TYR  HB+    23  VAL  HN        3.5   (#   790:10  Unique)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 314,
 &end
#
#     0  AMB  10-2:791  23  VAL  HN        7.0   (#   791:10  Single)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 691,1536,
 &end
#
#    45  ARG  HN     23  VAL  HN        3.5   (#   793:10  Unique)
 &rst
  ixpk= 793, nxpk= 10, iat= 660, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    22  TYR  HA     23  VAL  HN        2.8   (#   794:10  Unique)
 &rst
  ixpk= 794, nxpk= 10, iat= 311, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#     0  AMB  10-2:795  23  VAL  HN        3.5   (#   795:10  Single)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 332, 686, 687,
 &end
#
#    22  TYR  HB-    23  VAL  HN        4.5   (#   796:10  Unique)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 313, 314,
 &end
#
#     0  AMB  10-2:797  23  VAL  HN        2.8   (#   797:10  Single)
 &rst
  ixpk= 797, 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
#
#    89  HIS  HE1   120  TRP  HN        5.5   (#   799:10  Unique)
 &rst
  ixpk= 799, nxpk= 10, iat=1344,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HD1   120  TRP  HN        3.5   (#   800:10  Unique)
 &rst
  ixpk= 800, 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   (#   801:10  Unique)
 &rst
  ixpk= 801, 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   (#   802:10  Unique)
 &rst
  ixpk= 802, 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   (#   804:10  Unique)
 &rst
  ixpk= 804, nxpk= 10, iat=1807,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   120  TRP  HB+   120  TRP  HN        4.5   (#   805:10  Unique)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1821,1822,
 &end
#
#     0  AMB  10-2:806 120  TRP  HN        3.5   (#   806:10  Single)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#    43  ILE  HG1-   43  ILE  HN        3.5   (#   807:10  Unique)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    25  ILE  HN     43  ILE  HN        3.5   (#   809:10  Unique)
 &rst
  ixpk= 809, 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   (#   810:10  Unique)
 &rst
  ixpk= 810, nxpk= 10, iat= 612, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    26  ARG  HA     43  ILE  HN        4.5   (#   811:10  Unique)
 &rst
  ixpk= 811, nxpk= 10, iat= 386, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:812  43  ILE  HN        3.5   (#   812:10  Single)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 614, 615, 629,
 &end
#
#     0  AMB  10-2:813  43  ILE  HN        3.5   (#   813:10  Single)
 &rst
  ixpk= 813, 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   (#   814:10  Unique)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#     0  AMB  10-2:815  43  ILE  HN        2.8   (#   815:10  Single)
 &rst
  ixpk= 815, 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
#
#    43  ILE  QD1    43  ILE  HN        4.5   (#   816:10  Unique)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 638, 639, 640,
 &end
#
#    82  GLN  HG+    82  GLN  HE2-      4.5   (#   820:10  Unique)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1221,1222,
 igr2=1226,1227,
 &end
#
#    96  ALA  MB     97  TYR  HN        4.5   (#   827:10  Unique)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1448,1449,1450,
 &end
#
#   122  ASN  HB+   122  ASN  HD2-      4.5   (#   843:10  Unique)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#   122  ASN  HB-   122  ASN  HD2-      3.5   (#   844:10  Unique)
 &rst
  ixpk= 844, 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+      4.5   (#   845:10  Unique)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#   122  ASN  HB-   122  ASN  HD2+      3.5   (#   849:10  Unique)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#    84  GLN  HG+    84  GLN  HE2+      5.5   (#   858:10  Unique)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1249,1250,
 igr2=1254,1255,
 &end
#
#    94  SER  HB-    94  SER  HN        4.5   (#   861:10  Unique)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1420,1421,
 &end
#
#    14  ILE  QG2    46  GLY  HN        3.5   (#   864:10  Unique)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 196, 197, 198,
 &end
#
#     0  AMB  10-2:865  46  GLY  HN        2.8   (#   865:10  Single)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 662, 192,
 &end
#
#     0  AMB  10-2:866  46  GLY  HN        4.5   (#   866:10  Single)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 686, 687, 670, 671,
 &end
#
#     0  AMB  10-2:868  94  SER  HN        3.5   (#   868:10  Single)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1129,1395,
 &end
#
#    93  TYR  HA     94  SER  HN        3.5   (#   870:10  Unique)
 &rst
  ixpk= 870, nxpk= 10, iat=1397,1416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    93  TYR  HB-    94  SER  HN        4.5   (#   871:10  Unique)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1399,1400,
 &end
#
#     0  AMB  10-2:872  94  SER  HN        3.5   (#   872:10  Single)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1420,1421,1399,1400,
 &end
#
#    61  SER  HN     62  GLY  HN        3.5   (#   876:10  Unique)
 &rst
  ixpk= 876, nxpk= 10, iat= 933, 944, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    63  ASP  HN     62  GLY  HN        3.5   (#   877:10  Unique)
 &rst
  ixpk= 877, nxpk= 10, iat= 951, 944, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:879  62  GLY  HN        3.5   (#   879:10  Single)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 935, 897, 885,
 &end
#
#    62  GLY  HA+    62  GLY  HN        2.8   (#   880:10  Unique)
 &rst
  ixpk= 880, 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   (#   881:10  Unique)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 946, 947,
 &end
#
#    61  SER  HB-    62  GLY  HN        5.5   (#   882:10  Unique)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#    67  GLN  HG+    67  GLN  HE2-      4.5   (#   884:10  Unique)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#    67  GLN  HG+    67  GLN  HE2+      5.5   (#   888:10  Unique)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#    98  GLY  HA+    98  GLY  HN        3.5   (#   892:10  Unique)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1477,1478,
 &end
#
#    98  GLY  HA-    98  GLY  HN        3.5   (#   894:10  Unique)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1477,1478,
 &end
#
#    77  GLY  HA+    78  ARG  HN        2.8   (#   896:10  Unique)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1138,1139,
 &end
#
#    77  GLY  HA-    78  ARG  HN        3.5   (#   897:10  Unique)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1138,1139,
 &end
#
#    47  TYR  HD     49  TRP  HE1       4.5   (#   898:10  Unique)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 699, 708,
 &end
#
#    49  TRP  HZ2    49  TRP  HE1       3.5   (#   899:10  Unique)
 &rst
  ixpk= 899, nxpk= 10, iat= 747, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    49  TRP  HD1    49  TRP  HE1       2.8   (#   901:10  Unique)
 &rst
  ixpk= 901, nxpk= 10, iat= 742, 744, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   123  ASP  HB+   124  GLY  HN        2.8   (#   904:10  Unique)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1869,1870,
 &end
#
#   123  ASP  HA    124  GLY  HN        3.5   (#   905:10  Unique)
 &rst
  ixpk= 905, nxpk= 10, iat=1867,1877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   124  GLY  HA+   124  GLY  HN        3.5   (#   907:10  Unique)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1879,1880,
 &end
#
#   124  GLY  HA-   124  GLY  HN        2.8   (#   908:10  Unique)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1879,1880,
 &end
#
#    92  GLY  HA-    92  GLY  HN        3.5   (#   912:10  Unique)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
#     0  AMB  10-2:913  92  GLY  HN        3.5   (#   913:10  Single)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1390,1391,1886,
 &end
#
#    91  TYR  HB-    92  GLY  HN        3.5   (#   914:10  Unique)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#    67  GLN  HN     68  GLY  HN        2.8   (#   918:10  Unique)
 &rst
  ixpk= 918, nxpk= 10, iat=1019,1036, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    65  GLN  HA     68  GLY  HN        3.5   (#   919:10  Unique)
 &rst
  ixpk= 919, nxpk= 10, iat= 982,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    68  GLY  HA-    68  GLY  HN        2.8   (#   920:10  Unique)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1038,1039,
 &end
#
#     0  AMB  10-2:921  68  GLY  HN        3.5   (#   921:10  Single)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1024,1047,1026,1027,
 &end
#
#    67  GLN  HA     68  GLY  HN        3.5   (#   922:10  Unique)
 &rst
  ixpk= 922, nxpk= 10, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    68  GLY  HA+    68  GLY  HN        2.8   (#   923:10  Unique)
 &rst
  ixpk= 923, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1038,1039,
 &end
#
#    76  GLY  HA+    77  GLY  HN        3.5   (#   924:10  Unique)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1132,
 &end
#
#    77  GLY  HA-    77  GLY  HN        4.5   (#   925:10  Unique)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#    76  GLY  HA-    77  GLY  HN        3.5   (#   926:10  Unique)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1132,
 &end
#
#    74  LEU  HN     75  GLY  HN        3.5   (#   928:10  Unique)
 &rst
  ixpk= 928, nxpk= 10, iat=1103,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:930  75  GLY  HN        3.5   (#   930:10  Single)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1105, 332,
 &end
#
#     0  AMB  10-2:931  75  GLY  HN        3.5   (#   931:10  Single)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1124,1125,1094,
 &end
#
#    75  GLY  HA-    75  GLY  HN        3.5   (#   932:10  Unique)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1125,
 &end
#
#     0  AMB  10-2:933  75  GLY  HN        4.5   (#   933:10  Single)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#    78  ARG  HB+    78  ARG  HN        4.5   (#   936:10  Unique)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#     0  AMB  10-2:937  78  ARG  HN        4.5   (#   937:10  Single)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 324,1533,
 &end
#
#   101  GLN  HN    102  HIS  HN        5.5   (#   938:10  Unique)
 &rst
  ixpk= 938, nxpk= 10, iat=1506,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    52  TYR  HB-    54  ALA  HN        4.5   (#   939:10  Unique)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#    52  TYR  HA     54  ALA  HN        5.5   (#   940:10  Unique)
 &rst
  ixpk= 940, nxpk= 10, iat= 785, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    55  ASP  HA     54  ALA  HN        5.5   (#   941:10  Unique)
 &rst
  ixpk= 941, nxpk= 10, iat= 833, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    97  TYR  HE     54  ALA  HN        5.5   (#   942:10  Unique)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1469,
 &end
#
#     0  AMB  10-2:943  54  ALA  HN        7.0   (#   943:10  Single)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1462,1471, 793, 798,
 &end
#
#    53  HIS  HN     54  ALA  HN        4.5   (#   945:10  Unique)
 &rst
  ixpk= 945, nxpk= 10, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:946  58  ASP  HN        4.5   (#   946:10  Single)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1, 883, 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, 923, 924, 925, 927, 928, 929, 849, 850,
       851, 762, 763, 764,
 &end
#
#    59  LYS  HB+    58  ASP  HN        5.5   (#   947:10  Unique)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#    72  GLU  HB+    26  ARG  HN        5.5   (#   948:10  Unique)
 &rst
  ixpk= 948, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1081,1082,
 &end
#
#    26  ARG  HB3    27  VAL  HN        4.5   (#   949:10  Unique)
 &rst
  ixpk= 949, nxpk= 10, iat= 389, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:950  27  VAL  HN        5.5   (#   950:10  Single)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596, 635, 636,
 &end
#
#     0  AMB  10-2:951  27  VAL  HN        2.8   (#   951:10  Single)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 391, 392, 414, 415, 416, 418, 419, 420,
 &end
#
#    43  ILE  HN     27  VAL  HN        5.5   (#   952:10  Unique)
 &rst
  ixpk= 952, nxpk= 10, iat= 625, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:953  26  ARG  HN        5.5   (#   953:10  Single)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 391, 392, 635, 636,
 &end
#
#     0  AMB  10-2:954  26  ARG  HN        5.5   (#   954:10  Single)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,1096,1097,
 &end
#
#    73  CYS  HA     73  CYS  HN        5.5   (#   955:10  Unique)
 &rst
  ixpk= 955, nxpk= 10, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:956 119  THR  HN        5.5   (#   956:10  Single)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1357,1358,1359,1361,1362,1363,1321,1322,1323,
 &end
#
#     0  AMB  10-2:957   0  AMB  10-1:957     5.5   (#   957:10  Double)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 478,1807,
 igr2= 500,1803,
 &end
#
#    90  VAL  MGY   119  THR  HN        5.5   (#   958:10  Unique)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  10-2:959 119  THR  HN        5.5   (#   959:10  Single)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1357,1358,1359,1361,1362,1363,1321,1322,1323,
 &end
#
#   118  VAL  HN    119  THR  HN        5.5   (#   960:10  Unique)
 &rst
  ixpk= 960, nxpk= 10, iat=1787,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  QD1    25  ILE  HN        5.5   (#   961:10  Unique)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#     0  AMB  10-2:962  25  ILE  HN        5.5   (#   962:10  Single)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 614, 615, 629,
 &end
#
#     0  AMB  10-2:963  25  ILE  HN        4.5   (#   963:10  Single)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 650, 651, 652, 654, 655, 656,1112,1113,1114,1116,
      1117,1118,
 &end
#
#    44  VAL  MGX    23  VAL  HN        4.5   (#   964:10  Unique)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#     0  AMB  10-2:965  23  VAL  HN        5.5   (#   965:10  Single)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 334, 847,
 &end
#
#    46  GLY  HA-    23  VAL  HN        5.5   (#   966:10  Unique)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 686, 687,
 &end
#
#    22  TYR  HD     23  VAL  HN        4.5   (#   967:10  Unique)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 317, 326,
 &end
#
#     0  AMB  10-2:968  74  LEU  HN        5.5   (#   968:10  Single)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,1081,1082,
 &end
#
#    25  ILE  HG1-   74  LEU  HN        5.5   (#   970:10  Unique)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 375, 376,
 &end
#
#    73  CYS  HB-    74  LEU  HN        5.5   (#   971:10  Unique)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#    55  ASP  HB3    51  GLU  HN        5.5   (#   972:10  Unique)
 &rst
  ixpk= 972, nxpk= 10, iat= 836, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    90  VAL  MGY    80  SER  HN        5.5   (#   976:10  Unique)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#     0  AMB  10-2:977  80  SER  HN        5.5   (#   977:10  Single)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1377,1382,1210,
 &end
#
#    52  TYR  HB-    53  HIS  HN        5.5   (#   978:10  Unique)
 &rst
  ixpk= 978, nxpk= 10, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 787, 788,
 &end
#
#    54  ALA  HN     53  HIS  HN        5.5   (#   979:10  Unique)
 &rst
  ixpk= 979, nxpk= 10, iat= 821, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:980  53  HIS  HN        5.5   (#   980:10  Single)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 787, 788,1434,1435,
 &end
#
#     0  AMB  10-2:981  72  GLU  HN        5.5   (#   981:10  Single)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1112,1113,1114,1116,1117,1118, 378, 379, 380,
 &end
#
#    26  ARG  HB2    72  GLU  HN        4.5   (#   982:10  Unique)
 &rst
  ixpk= 982, nxpk= 10, iat= 388,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    27  VAL  HA     72  GLU  HN        4.5   (#   983:10  Unique)
 &rst
  ixpk= 983, nxpk= 10, iat= 410,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    91  TYR  HB-   121  ALA  HN        4.5   (#   984:10  Unique)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#    91  TYR  HA    121  ALA  HN        4.5   (#   985:10  Unique)
 &rst
  ixpk= 985, nxpk= 10, iat=1369,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    27  VAL  HB     28  HIS  HN        5.5   (#   987:10  Unique)
 &rst
  ixpk= 987, nxpk= 10, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    70  ASP  HB-    28  HIS  HN        5.5   (#   988:10  Unique)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
#     0  AMB  10-2:989 110  LYS  HN        5.5   (#   989:10  Single)
 &rst
  ixpk= 989, 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
#
#     0  AMB  10-2:990  61  SER  HN        5.5   (#   990:10  Single)
 &rst
  ixpk= 990, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 899, 900, 984,
 &end
#
#     0  AMB  10-2:991  61  SER  HN        5.5   (#   991:10  Single)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 870, 879, 895,
 &end
#
#    50  ALA  MB     21  LYS  HN        5.5   (#   992:10  Unique)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 762, 763, 764,
 &end
#
#    21  LYS  HA     21  LYS  HN        4.5   (#   993:10  Unique)
 &rst
  ixpk= 993, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    51  GLU  HA     21  LYS  HN        7.0   (#   994:10  Unique)
 &rst
  ixpk= 994, nxpk= 10, iat= 770, 287, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:995 118  VAL  HN        4.5   (#   995:10  Single)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#     0  AMB  10-2:996 118  VAL  HN        5.5   (#   996:10  Single)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1660,1661,1657,1658,
 &end
#
#     0  AMB  10-2:997 118  VAL  HN        3.5   (#   997:10  Single)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1787, 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
#
#    90  VAL  HB     91  TYR  HN        5.5   (#   999:10  Unique)
 &rst
  ixpk= 999, nxpk= 10, iat=1355,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    91  TYR  HB-    91  TYR  HN        5.5   (#  1000:10  Unique)
 &rst
  ixpk= 1000, 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        5.5   (#  1001:10  Unique)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#    91  TYR  HA     91  TYR  HN        4.5   (#  1002:10  Unique)
 &rst
  ixpk= 1002, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     5  ASP  HN      6  LEU  HN        5.5   (#  1003:10  Unique)
 &rst
  ixpk= 1003, nxpk= 10, iat=  57,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1004  64  MET  HN        5.5   (#  1004:10  Single)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 919, 946, 947,
 &end
#
#    20  PHE  HN     79  ILE  HN        4.5   (#  1005:10  Unique)
 &rst
  ixpk= 1005, nxpk= 10, iat= 267,1167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    22  TYR  HN     79  ILE  HN        5.5   (#  1006:10  Unique)
 &rst
  ixpk= 1006, nxpk= 10, iat= 309,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    79  ILE  HA     79  ILE  HN        5.5   (#  1007:10  Unique)
 &rst
  ixpk= 1007, nxpk= 10, iat=1169,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    21  LYS  HA     79  ILE  HN        5.5   (#  1008:10  Unique)
 &rst
  ixpk= 1008, nxpk= 10, iat= 289,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    79  ILE  HG1-   79  ILE  HN        5.5   (#  1009:10  Unique)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,
 &end
#
#    78  ARG  HB+    79  ILE  HN        4.5   (#  1010:10  Unique)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#     0  AMB  10-2:1011  79  ILE  HN        3.5   (#  1011:10  Single)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1147,1148,1177,1178,
 &end
#
#    78  ARG  HB-    79  ILE  HN        4.5   (#  1012:10  Unique)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#    79  ILE  QD1    79  ILE  HN        5.5   (#  1013:10  Unique)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1180,1181,1182,
 &end
#
#    38  ALA  MB     29  SER  HN        5.5   (#  1014:10  Unique)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 556, 557, 558,
 &end
#
#     0  AMB  10-2:1019  29  SER  HN        4.5   (#  1019:10  Single)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 452,1054,
 &end
#
#     0  AMB  10-2:1020  45  ARG  HN        5.5   (#  1020:10  Single)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 648, 629,
 &end
#
#     0  AMB  10-2:1021  45  ARG  HN        5.5   (#  1021:10  Single)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 635, 636, 923, 924, 925, 927, 928, 929,
 &end
#
#    23  VAL  HN     45  ARG  HN        3.5   (#  1022:10  Unique)
 &rst
  ixpk= 1022, nxpk= 10, iat= 330, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:1023  41  LYS  HN        3.5   (#  1023:10  Single)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 592, 593, 412,
 &end
#
#     6  LEU  MDY    41  LYS  HN        4.5   (#  1024:10  Unique)
 &rst
  ixpk= 1024, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#     6  LEU  HB3    41  LYS  HN        5.5   (#  1025:10  Unique)
 &rst
  ixpk= 1025, nxpk= 10, iat=  74, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    90  VAL  MGX   106  THR  HN        5.5   (#  1026:10  Unique)
 &rst
  ixpk= 1026, 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  10-2:1027 106  THR  HN        5.5   (#  1027:10  Single)
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1355,1554,1613,1660,1661,
 &end
#
#     0  AMB  10-2:1028 106  THR  HN        5.5   (#  1028:10  Single)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1571,1552,
 &end
#
#   104  ILE  HN    106  THR  HN        5.5   (#  1029:10  Unique)
 &rst
  ixpk= 1029, nxpk= 10, iat=1550,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    65  GLN  HB3    65  GLN  HN        3.5   (#  1030:10  Unique)
 &rst
  ixpk= 1030, nxpk= 10, iat= 985, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     0  AMB  10-2:1031  65  GLN  HN        5.5   (#  1031:10  Single)
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 935, 999,
 &end
#
#    62  GLY  HA-    65  GLN  HN        5.5   (#  1032:10  Unique)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#    71  CYS  HB3    71  CYS  HN        4.5   (#  1033:10  Unique)
 &rst
  ixpk= 1033, nxpk= 10, iat=1071,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1034  71  CYS  HN        5.5   (#  1034:10  Single)
 &rst
  ixpk= 1034, 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  10-2:1035  71  CYS  HN        5.5   (#  1035:10  Single)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085, 967,
 &end
#
#   108  LYS  HA    109  ILE  HN        5.5   (#  1043:10  Unique)
 &rst
  ixpk= 1043, nxpk= 10, iat=1611,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   106  THR  MG2    90  VAL  HN        5.5   (#  1048:10  Unique)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    89  HIS  HB-    90  VAL  HN        4.5   (#  1049:10  Unique)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1338,1339,
 &end
#
#     0  AMB  10-2:1050  90  VAL  HN        4.5   (#  1050:10  Single)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1338,1339,1528,
 &end
#
#    90  VAL  HA     90  VAL  HN        5.5   (#  1051:10  Unique)
 &rst
  ixpk= 1051, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1052  90  VAL  HN        4.5   (#  1052:10  Single)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1841,1186,
 &end
#
#   119  THR  HN     90  VAL  HN        5.5   (#  1053:10  Unique)
 &rst
  ixpk= 1053, nxpk= 10, iat=1803,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    13  ASP  HN      0  AMB  10-1:1054     5.5   (#  1054:10  Single)
 &rst
  ixpk= 1054, nxpk= 10, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 190, 162,
 &end
#
#    44  VAL  HN     12  VAL  HN        5.5   (#  1055:10  Unique)
 &rst
  ixpk= 1055, nxpk= 10, iat= 644, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     2  ALA  MB      2  ALA  HN        5.5   (#  1057:10  Unique)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  25,  26,  27,
 &end
#
#    29  SER  HB-    30  ALA  HN        5.5   (#  1058:10  Unique)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    27  VAL  MGY    70  ASP  HN        5.5   (#  1061:10  Unique)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    28  HIS  HB3    70  ASP  HN        5.5   (#  1062:10  Unique)
 &rst
  ixpk= 1062, nxpk= 10, iat= 429,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    56  ILE  QD1    22  TYR  HN        4.5   (#  1063:10  Unique)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 856, 857, 858,
 &end
#
#     0  AMB  10-2:1064  22  TYR  HN        5.5   (#  1064:10  Single)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#     0  AMB  10-2:1065  22  TYR  HN        5.5   (#  1065:10  Single)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1171,1357,1358,1359,1361,1362,1363,
 &end
#
#    90  VAL  MGY    22  TYR  HN        5.5   (#  1067:10  Unique)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    21  LYS  HB2    22  TYR  HN        4.5   (#  1068:10  Unique)
 &rst
  ixpk= 1068, nxpk= 10, iat= 291, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    22  TYR  HB-    22  TYR  HN        4.5   (#  1069:10  Unique)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 313, 314,
 &end
#
#    22  TYR  HB+    22  TYR  HN        5.5   (#  1070:10  Unique)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 313, 314,
 &end
#
#     0  AMB  10-2:1071  22  TYR  HN        5.5   (#  1071:10  Single)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 275, 283, 691,
 &end
#
#    79  ILE  HN     22  TYR  HN        5.5   (#  1072:10  Unique)
 &rst
  ixpk= 1072, nxpk= 10, iat=1167, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    23  VAL  HN     22  TYR  HN        5.5   (#  1073:10  Unique)
 &rst
  ixpk= 1073, nxpk= 10, iat= 330, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    31  PRO  HB+    32  ARG  HN        5.5   (#  1075:10  Unique)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 469, 470,
 &end
#
#     0  AMB  10-2:1076  32  ARG  HN        5.5   (#  1076:10  Single)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 457, 458, 522, 523, 524,
 &end
#
#    40  SER  HB2    40  SER  HN        4.5   (#  1080:10  Unique)
 &rst
  ixpk= 1080, nxpk= 10, iat= 581, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    24  LEU  MDX   103  ALA  HN        5.5   (#  1081:10  Unique)
 &rst
  ixpk= 1081, nxpk= 10, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#    19  VAL  MG2    20  PHE  HN        4.5   (#  1082:10  Unique)
 &rst
  ixpk= 1082, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 261, 262, 263,
 &end
#
#    78  ARG  HG+    20  PHE  HN        5.5   (#  1083:10  Unique)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#   102  HIS  HB2   103  ALA  HN        5.5   (#  1084:10  Unique)
 &rst
  ixpk= 1084, nxpk= 10, iat=1527,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   105  SER  HN    103  ALA  HN        5.5   (#  1085:10  Unique)
 &rst
  ixpk= 1085, nxpk= 10, iat=1569,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1086  42  GLU  HN        4.5   (#  1086:10  Single)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 391, 392, 355, 356, 357, 359, 360, 361, 130, 131,
       132,
 &end
#
#   108  LYS  HE+    42  GLU  HN        5.5   (#  1087:10  Unique)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1622,1623,
 &end
#
#    41  LYS  HG+    42  GLU  HN        5.5   (#  1088:10  Unique)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#    93  TYR  HA     93  TYR  HN        5.5   (#  1089:10  Unique)
 &rst
  ixpk= 1089, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HD     93  TYR  HN        5.5   (#  1090:10  Unique)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#     0  AMB  10-2:1091  57  TYR  HN        5.5   (#  1091:10  Single)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 825, 826, 827, 665, 902, 903,
 &end
#
#    56  ILE  HG1+   57  TYR  HN        5.5   (#  1092:10  Unique)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#    97  TYR  HB-    97  TYR  HN        4.5   (#  1096:10  Unique)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#    97  TYR  HB+    97  TYR  HN        5.5   (#  1097:10  Unique)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    97  TYR  HA     97  TYR  HN        4.5   (#  1099:10  Unique)
 &rst
  ixpk= 1099, nxpk= 10, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    94  SER  HB+    98  GLY  HN        5.5   (#  1102:10  Unique)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#    94  SER  HB-    98  GLY  HN        7.0   (#  1103:10  Unique)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1420,1421,
 &end
#
#    97  TYR  HB-    98  GLY  HN        5.5   (#  1104:10  Unique)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    97  TYR  HA     98  GLY  HN        5.5   (#  1105:10  Unique)
 &rst
  ixpk= 1105, nxpk= 10, iat=1456,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   122  ASN  HB-   123  ASP  HN        5.5   (#  1106:10  Unique)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1855,1856,
 &end
#
#     0  AMB  10-2:1108  63  ASP  HN        7.0   (#  1108:10  Single)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 905, 906, 968,
 &end
#
#    60  VAL  MGX    63  ASP  HN        5.5   (#  1109:10  Unique)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#     0  AMB  10-2:1110  63  ASP  HN        4.5   (#  1110:10  Single)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 897, 935,
 &end
#
#     0  AMB  10-2:1111  63  ASP  HN        4.5   (#  1111:10  Single)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 917,
 &end
#
#     0  AMB  10-2:1112 113  TYR  HN        4.5   (#  1112:10  Single)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 &end
#
#     0  AMB  10-2:1114 113  TYR  HN        5.5   (#  1114:10  Single)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1676,1677,1678,1657,1658,
 &end
#
#   110  LYS  HA    113  TYR  HN        4.5   (#  1117:10  Unique)
 &rst
  ixpk= 1117, nxpk= 10, iat=1652,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   111  ALA  HN    113  TYR  HN        5.5   (#  1119:10  Unique)
 &rst
  ixpk= 1119, nxpk= 10, iat=1672,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    25  ILE  HN     24  LEU  HN        4.5   (#  1120:10  Unique)
 &rst
  ixpk= 1120, nxpk= 10, iat= 365, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    76  GLY  HA-    24  LEU  HN        4.5   (#  1121:10  Unique)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    91  TYR  HD    125  TYR  HN        5.5   (#  1124:10  Unique)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1375,1384,
 &end
#
#     0  AMB  10-2:1131  69  CYS  HN        5.5   (#  1131:10  Single)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1023, 466, 467,
 &end
#
#    67  GLN  HN     69  CYS  HN        5.5   (#  1132:10  Unique)
 &rst
  ixpk= 1132, nxpk= 10, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    61  SER  HB+    62  GLY  HN        5.5   (#  1133:10  Unique)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#    26  ARG  HD+    26  ARG  HE        4.5   (#  1134:10  Unique)
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 394, 395,
 &end
#
#    26  ARG  HG+    26  ARG  HE        5.5   (#  1135:10  Unique)
 &rst
  ixpk= 1135, 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        5.5   (#  1136:10  Unique)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    44  VAL  HN     13  ASP  HN        5.5   (#  1137:10  Unique)
 &rst
  ixpk= 1137, nxpk= 10, iat= 644, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HD+    13  ASP  HN        5.5   (#  1138:10  Unique)
 &rst
  ixpk= 1138, 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   (#  1140:10  Unique)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    12  VAL  HB     13  ASP  HN        5.5   (#  1141:10  Unique)
 &rst
  ixpk= 1141, nxpk= 10, iat= 166, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   103  ALA  MB    101  GLN  HE2-      5.5   (#  1142:10  Unique)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1518,1519,
 &end
#
#     0  AMB  10-2:1143 101  GLN  HE2-      5.5   (#  1143:10  Single)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1518,1519,
 &end
#
#     7  ALA  HN      9  ILE  HN        5.5   (#  1145:10  Unique)
 &rst
  ixpk= 1145, nxpk= 10, iat=  88, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     8  LEU  MDX     9  ILE  HN        5.5   (#  1146:10  Unique)
 &rst
  ixpk= 1146, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#     7  ALA  HA      8  LEU  HN        4.5   (#  1147:10  Unique)
 &rst
  ixpk= 1147, nxpk= 10, iat=  90,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    93  TYR  HA    100  ALA  HN        5.5   (#  1148:10  Unique)
 &rst
  ixpk= 1148, nxpk= 10, iat=1397,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1149 100  ALA  HN        5.5   (#  1149:10  Single)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,1390,1391,
 &end
#
#     0  AMB  10-2:1150 100  ALA  HN        5.5   (#  1150:10  Single)
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,1131,1132,
 &end
#
#    99  PRO  HB+   100  ALA  HN        5.5   (#  1151:10  Unique)
 &rst
  ixpk= 1151, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1489,1490,
 &end
#
#    99  PRO  HB-   100  ALA  HN        5.5   (#  1152:10  Unique)
 &rst
  ixpk= 1152, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1489,1490,
 &end
#
#     0  AMB  10-2:1154   0  AMB  10-1:1154     3.5   (#  1154:10  Double)
 &rst
  ixpk= 1154, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 856, 857, 858, 168, 169, 170, 172, 173, 174,
 igr2= 843,1609,
 &end
#
#    55  ASP  HB2    56  ILE  HN        5.5   (#  1155:10  Unique)
 &rst
  ixpk= 1155, nxpk= 10, iat= 835, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   107  GLU  HA    108  LYS  HN        4.5   (#  1156:10  Unique)
 &rst
  ixpk= 1156, nxpk= 10, iat=1596,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1157 108  LYS  HN        4.5   (#  1157:10  Single)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,
 &end
#
#   104  ILE  QG2   107  GLU  HN        5.5   (#  1158:10  Unique)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1556,1557,1558,
 &end
#
#     0  AMB  10-2:1159 107  GLU  HN        5.5   (#  1159:10  Single)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1544,1545,1546,1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  10-2:1160 107  GLU  HN        5.5   (#  1160:10  Single)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1660,1661,1613,1654,1655,
 &end
#
#    45  ARG  HB3    46  GLY  HN        5.5   (#  1161:10  Unique)
 &rst
  ixpk= 1161, nxpk= 10, iat= 665, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1162  46  GLY  HN        4.5   (#  1162:10  Single)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 849, 850, 851, 650, 651, 652, 654, 655, 656, 336,
       337, 338, 340, 341, 342,
 &end
#
#     0  AMB  10-2:1163 112  LYS  HN        5.5   (#  1163:10  Single)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 168, 169, 170, 172, 173, 174,1793,1794,1795,1797,
      1798,1799,1793,1794,1795,1797,1798,1799,
 &end
#
#   109  ILE  HA    112  LYS  HN        5.5   (#  1164:10  Unique)
 &rst
  ixpk= 1164, nxpk= 10, iat=1633,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1165 105  SER  HN        4.5   (#  1165:10  Single)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,1619,1620,
 &end
#
#   104  ILE  HG1+  105  SER  HN        4.5   (#  1166:10  Unique)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
#    24  LEU  MDY   105  SER  HN        4.5   (#  1167:10  Unique)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#     0  AMB  10-2:1168 105  SER  HN        3.5   (#  1168:10  Single)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,
 &end
#
#    90  VAL  MGX   105  SER  HN        4.5   (#  1169:10  Unique)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    60  VAL  MGY    59  LYS  HN        5.5   (#  1170:10  Unique)
 &rst
  ixpk= 1170, 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
#
#     0  AMB  10-2:1171  59  LYS  HN        5.5   (#  1171:10  Single)
 &rst
  ixpk= 1171, 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
#
#     0  AMB  10-2:1172  59  LYS  HN        5.5   (#  1172:10  Single)
 &rst
  ixpk= 1172, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 905, 906, 853, 854,
 &end
#
#    56  ILE  HA     59  LYS  HN        4.5   (#  1173:10  Unique)
 &rst
  ixpk= 1173, nxpk= 10, iat= 845, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   101  GLN  HB-   102  HIS  HN        4.5   (#  1174:10  Unique)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1510,1511,
 &end
#
#     0  AMB  10-2:1175 111  ALA  HN        4.5   (#  1175:10  Single)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1692,1693,1660,1661,1614,1635,1616,1617,
 &end
#
#     0  AMB  10-2:1176 111  ALA  HN        5.5   (#  1176:10  Single)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1692,1693,1616,1617,
 &end
#
#   110  LYS  HA    111  ALA  HN        4.5   (#  1177:10  Unique)
 &rst
  ixpk= 1177, nxpk= 10, iat=1652,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    64  MET  ME     67  GLN  HE2+      5.5   (#  1179:10  Unique)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974, 975, 976,
 igr2=1031,1032,
 &end
#
#     9  ILE  QG2    67  GLN  HE2+      5.5   (#  1181:10  Unique)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 123, 124, 125,
 igr2=1031,1032,
 &end
#
#     0  AMB  10-2:1183   0  AMB  10-1:1183     4.5   (#  1183:10  Double)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
 igr2=1518,1519,1518,1519,
 &end
#
#   103  ALA  MB    101  GLN  HE2+      5.5   (#  1184:10  Unique)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1518,1519,
 &end
#
#     0  AMB  10-2:1185  47  TYR  HN        4.5   (#  1185:10  Single)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 853, 854, 292,
 &end
#
#    50  ALA  MB     50  ALA  HN        2.8   (#  1186:10  Unique)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 762, 763, 764,
 &end
#
#    49  TRP  HE3    50  ALA  HN        5.5   (#  1187:10  Unique)
 &rst
  ixpk= 1187, nxpk= 10, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    51  GLU  HN     50  ALA  HN        5.5   (#  1188:10  Unique)
 &rst
  ixpk= 1188, nxpk= 10, iat= 768, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    99  PRO  HA     94  SER  HN        4.5   (#  1190:10  Unique)
 &rst
  ixpk= 1190, nxpk= 10, iat=1492,1416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    78  ARG  HG+    78  ARG  HN        5.5   (#  1193:10  Unique)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#     0  AMB  10-2:1194  78  ARG  HN        5.5   (#  1194:10  Single)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1353, 289,
 &end
#
#    92  GLY  HA+    78  ARG  HN        5.5   (#  1195:10  Unique)
 &rst
  ixpk= 1195, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1390,1391,
 &end
#
#   100  ALA  MB     76  GLY  HN        4.5   (#  1196:10  Unique)
 &rst
  ixpk= 1196, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1500,1501,1502,
 &end
#
#    97  TYR  HB-    76  GLY  HN        5.5   (#  1198:10  Unique)
 &rst
  ixpk= 1198, 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        5.5   (#  1201:10  Unique)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#   100  ALA  HA     76  GLY  HN        4.5   (#  1202:10  Unique)
 &rst
  ixpk= 1202, nxpk= 10, iat=1498,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    99  PRO  HA     76  GLY  HN        5.5   (#  1204:10  Unique)
 &rst
  ixpk= 1204, nxpk= 10, iat=1492,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    91  TYR  HA     92  GLY  HN        3.5   (#  1206:10  Unique)
 &rst
  ixpk= 1206, nxpk= 10, iat=1369,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    67  GLN  HB2    68  GLY  HN        4.5   (#  1207:10  Unique)
 &rst
  ixpk= 1207, nxpk= 10, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1208  77  GLY  HN        4.5   (#  1208:10  Single)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#    77  GLY  HA+    77  GLY  HN        4.5   (#  1209:10  Unique)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#    23  VAL  HA     77  GLY  HN        4.5   (#  1210:10  Unique)
 &rst
  ixpk= 1210, nxpk= 10, iat= 332,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    22  TYR  HN     77  GLY  HN        5.5   (#  1211:10  Unique)
 &rst
  ixpk= 1211, nxpk= 10, iat= 309,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1212  77  GLY  HN        5.5   (#  1212:10  Single)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1129,1395,
 &end
#
#    74  LEU  HB2    75  GLY  HN        4.5   (#  1213:10  Unique)
 &rst
  ixpk= 1213, nxpk= 10, iat=1107,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1214  75  GLY  HN        5.5   (#  1214:10  Single)
 &rst
  ixpk= 1214, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#    74  LEU  HB3    75  GLY  HN        5.5   (#  1215:10  Unique)
 &rst
  ixpk= 1215, nxpk= 10, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    74  LEU  HG     75  GLY  HN        5.5   (#  1216:10  Unique)
 &rst
  ixpk= 1216, nxpk= 10, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    24  LEU  HB+    75  GLY  HN        5.5   (#  1217:10  Unique)
 &rst
  ixpk= 1217, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 351,
 &end
#
#    74  LEU  MDY    75  GLY  HN        5.5   (#  1218:10  Unique)
 &rst
  ixpk= 1218, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    97  TYR  HB-    75  GLY  HN        5.5   (#  1219:10  Unique)
 &rst
  ixpk= 1219, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    73  CYS  HB+    75  GLY  HN        5.5   (#  1220:10  Unique)
 &rst
  ixpk= 1220, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#    97  TYR  HB+    75  GLY  HN        5.5   (#  1221:10  Unique)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    76  GLY  HN     75  GLY  HN        5.5   (#  1223:10  Unique)
 &rst
  ixpk= 1223, nxpk= 10, iat=1129,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    24  LEU  HN     75  GLY  HN        5.5   (#  1224:10  Unique)
 &rst
  ixpk= 1224, nxpk= 10, iat= 346,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    13  ASP  HB3     0  AMB  10-1:1225     4.5   (#  1225:10  Single)
 &rst
  ixpk= 1225, nxpk= 10, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 190, 162,
 &end
#
#    55  ASP  HB2    52  TYR  HN        5.5   (#  1226:10  Unique)
 &rst
  ixpk= 1226, nxpk= 10, iat= 835, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    69  CYS  HB3    28  HIS  HN        5.5   (#  1228:10  Unique)
 &rst
  ixpk= 1228, nxpk= 10, iat=1048, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    45  ARG  HD+    45  ARG  HE        5.5   (#  1232:10  Unique)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#    48  LYS  HA     48  LYS  HN        4.5   (#  1234:10  Unique)
 &rst
  ixpk= 1234, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    14  ILE  HB     48  LYS  HN        7.0   (#  1235:10  Unique)
 &rst
  ixpk= 1235, nxpk= 10, iat= 194, 712, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    27  VAL  MGY    69  CYS  HN        5.5   (#  1251:10  Unique)
 &rst
  ixpk= 1251, 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
#
#     0  AMB  10-2:1252  69  CYS  HN        5.5   (#  1252:10  Single)
 &rst
  ixpk= 1252, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 987, 988, 970, 971,
 &end
#
#     0  AMB  10-2:1253  69  CYS  HN        5.5   (#  1253:10  Single)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#     4  ALA  HN      5  ASP  HN        5.5   (#  1255:10  Unique)
 &rst
  ixpk= 1255, nxpk= 10, iat=  47,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   117  GLU  HB+   118  VAL  HN        5.5   (#  1257:10  Unique)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1776,1777,
 &end
#
#    24  LEU  HA     45  ARG  HN        7.0   (#  1258:10  Unique)
 &rst
  ixpk= 1258, nxpk= 10, iat= 348, 660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:1260  24  LEU  HN        4.5   (#  1260:10  Single)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1107, 353,
 &end
#
#     7  ALA  MB      9  ILE  HN        5.5   (#  1261:10  Unique)
 &rst
  ixpk= 1261, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#     0  AMB  10-2:1264  37  ALA  HN        4.5   (#  1264:10  Single)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536, 469, 470,
 &end
#
#    36  PRO  HG+    37  ALA  HN        5.5   (#  1265:10  Unique)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 532, 533,
 &end
#
#   106  THR  HA    107  GLU  HN        5.5   (#  1267:10  Unique)
 &rst
  ixpk= 1267, nxpk= 10, iat=1582,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    19  VAL  HB     20  PHE  HN        4.5   (#  1268:10  Unique)
 &rst
  ixpk= 1268, nxpk= 10, iat= 255, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1269  20  PHE  HN        5.5   (#  1269:10  Single)
 &rst
  ixpk= 1269, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1147,1148,1173,1174,1175,
 &end
#
#   120  TRP  HD1   121  ALA  HN        7.0   (#  1270:10  Unique)
 &rst
  ixpk= 1270, nxpk= 10, iat=1825,1841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#     0  AMB  10-2:1273   7  ALA  HN        4.5   (#  1273:10  Single)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  76, 102, 103,
 &end
#
#     0  AMB  10-2:1274   7  ALA  HN        5.5   (#  1274:10  Single)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 105, 598, 599,
 &end
#
#   106  THR  HN    104  ILE  HN        5.5   (#  1275:10  Unique)
 &rst
  ixpk= 1275, nxpk= 10, iat=1580,1550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1276 104  ILE  HN        5.5   (#  1276:10  Single)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1598,1599,1513,1514,
 &end
#
#   101  GLN  HB-   104  ILE  HN        5.5   (#  1277:10  Unique)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1510,1511,
 &end
#
#     0  AMB  10-2:1278  60  VAL  HN        5.5   (#  1278:10  Single)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 667, 668, 905, 906, 853, 854, 375, 376,
 &end
#
#    45  ARG  HG+    60  VAL  HN        5.5   (#  1279:10  Unique)
 &rst
  ixpk= 1279, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#   112  LYS  HD+    12  VAL  HN        5.5   (#  1282:10  Unique)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1692,1693,
 &end
#
#   105  SER  HA    108  LYS  HN        5.5   (#  1283:10  Unique)
 &rst
  ixpk= 1283, nxpk= 10, iat=1571,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1284   0  AMB  10-1:1284     4.5   (#  1284:10  Double)
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 845,1596,
 igr2= 843,1609,
 &end
#
#    40  SER  HB2    29  SER  HN        7.0   (#  1285:10  Unique)
 &rst
  ixpk= 1285, nxpk= 10, iat= 581, 441, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    27  VAL  MGY    29  SER  HN        5.5   (#  1286:10  Unique)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#     0  AMB  10-2:1288   0  AMB  10-1:1288     4.5   (#  1288:10  Double)
 &rst
  ixpk= 1288, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 853, 854, 968,
 igr2= 831,1019,
 &end
#
#     0  AMB  10-2:1289 106  THR  HN        5.5   (#  1289:10  Single)
 &rst
  ixpk= 1289, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1793,1794,1795,1797,1798,1799, 355, 356, 357, 359,
       360, 361,
 &end
#
#    44  VAL  MGX   106  THR  HN        5.5   (#  1290:10  Unique)
 &rst
  ixpk= 1290, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    90  VAL  HN    120  TRP  HN        5.5   (#  1292:10  Unique)
 &rst
  ixpk= 1292, nxpk= 10, iat=1351,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    44  VAL  HN     43  ILE  HN        5.5   (#  1295:10  Unique)
 &rst
  ixpk= 1295, nxpk= 10, iat= 644, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    43  ILE  HA     43  ILE  HN        3.5   (#  1297:10  Unique)
 &rst
  ixpk= 1297, nxpk= 10, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    24  LEU  HA     43  ILE  HN        5.5   (#  1298:10  Unique)
 &rst
  ixpk= 1298, nxpk= 10, iat= 348, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    42  GLU  HG+    43  ILE  HN        5.5   (#  1299:10  Unique)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 617, 618,
 &end
#
#    90  VAL  MGY    79  ILE  HN        5.5   (#  1302:10  Unique)
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    94  SER  HB+    97  TYR  HN        5.5   (#  1303:10  Unique)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#    99  PRO  HD-    98  GLY  HN        7.0   (#  1304:10  Unique)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1483,1484,
 &end
#
#   118  VAL  MGY   113  TYR  HN        7.0   (#  1307:10  Unique)
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#     0  AMB  10-2:1310  37  ALA  HN        7.0   (#  1310:10  Single)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 535, 536, 469, 470, 569, 570,
 &end
#
#    91  TYR  HD     92  GLY  HN        4.5   (#  1317:10  Unique)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1375,1384,
 &end
#
#    91  TYR  HB+    92  GLY  HN        3.5   (#  1319:10  Unique)
 &rst
  ixpk= 1319, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#   100  ALA  HN     76  GLY  HN        4.5   (#  1320:10  Unique)
 &rst
  ixpk= 1320, nxpk= 10, iat=1496,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  10-2:1321  76  GLY  HN        3.5   (#  1321:10  Single)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1131,1132,1420,1421,
 &end
#
#    75  GLY  HA+    76  GLY  HN        4.5   (#  1322:10  Unique)
 &rst
  ixpk= 1322, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,
 &end
#
#   118  VAL  HB    109  ILE  HN        5.5   (#  1323:10  Unique)
 &rst
  ixpk= 1323, nxpk= 10, iat=1791,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   105  SER  HN    103  ALA  HN        5.5   (#  1324:10  Unique)
 &rst
  ixpk= 1324, nxpk= 10, iat=1569,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HA     93  TYR  HN        5.5   (#  1325:10  Unique)
 &rst
  ixpk= 1325, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    97  TYR  HD     97  TYR  HN        5.5   (#  1326:10  Unique)
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1462,1471,
 &end
#
#     0  AMB  10-2:1330  21  LYS  HN        4.5   (#  1330:10  Single)
 &rst
  ixpk= 1330, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 257, 258, 259,
 &end
#
#     0  AMB  10-2:1331   0  AMB  10-1:1331     3.5   (#  1331:10  Double)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 853, 854,1616,1617,
 igr2= 843,1609,
 &end
#
#    26  ARG  HG+    41  LYS  HN        5.5   (#  1334:10  Unique)
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    64  MET  HB2    61  SER  HN        7.0   (#  1335:10  Unique)
 &rst
  ixpk= 1335, nxpk= 10, iat= 967, 933, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    78  ARG  HB-    78  ARG  HN        5.5   (#  1338:10  Unique)
 &rst
  ixpk= 1338, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1147,1148,
 &end
#
#     0  AMB  10-2:1339  78  ARG  HN        4.5   (#  1339:10  Single)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1377,1382,1536,
 &end
#
#    91  TYR  HN     78  ARG  HN        4.5   (#  1340:10  Unique)
 &rst
  ixpk= 1340, nxpk= 10, iat=1367,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    12  VAL  HA     45  ARG  HE        5.5   (#  1341:10  Unique)
 &rst
  ixpk= 1341, nxpk= 10, iat= 164, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    93  TYR  HD     93  TYR  HN        5.5   (#  1342:10  Unique)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#    93  TYR  HD     94  SER  HN        5.5   (#  1344:10  Unique)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#    52  TYR  HD     55  ASP  HN        5.5   (#  1345:10  Unique)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 800,
 &end
#
#    96  ALA  HA     97  TYR  HN        7.0   (#  1349:10  Unique)
 &rst
  ixpk= 1349, nxpk= 10, iat=1446,1454, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    94  SER  HB-    97  TYR  HN        7.0   (#  1351:10  Unique)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1420,1421,
 &end
#
#     6  LEU  HN      5  ASP  HN        5.5   (#  1353:10  Unique)
 &rst
  ixpk= 1353, nxpk= 10, iat=  69,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  10-2:1354 120  TRP  HE1       7.0   (#  1354:10  Single)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1584,1525,
 &end
#
#     0  AMB  10-2:1355  67  GLN  HE2-      5.5   (#  1355:10  Single)
 &rst
  ixpk= 1355, 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
#
#   120  TRP  HE1   120  TRP  HZ2       3.5   (#     0:25  Unique)
 &rst
  ixpk= 0, nxpk= 25, iat=1827,1830, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   120  TRP  HE1   120  TRP  HD1       2.8   (#     1:25  Unique)
 &rst
  ixpk= 1, nxpk= 25, iat=1827,1825, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    49  TRP  HE1    49  TRP  HD1       2.8   (#     2:25  Unique)
 &rst
  ixpk= 2, nxpk= 25, iat= 744, 742, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    49  TRP  HE1    49  TRP  HZ2       4.5   (#     3:25  Unique)
 &rst
  ixpk= 3, nxpk= 25, iat= 744, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  25-2:4  28  HIS  HD2       3.5   (#     4:25  Single)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 424,1077,
 &end
#
#    91  TYR  HN     91  TYR  HD        3.5   (#     5:25  Unique)
 &rst
  ixpk= 5, nxpk= 25, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1375,1384,
 &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
#
#   120  TRP  HN    120  TRP  HD1       4.5   (#     7:25  Unique)
 &rst
  ixpk= 7, nxpk= 25, iat=1817,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  25-2:9  97  TYR  HD        4.5   (#     9:25  Single)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1454,1129,
 igr2=1462,1471,
 &end
#
#    92  GLY  HN     91  TYR  HD        3.5   (#    10:25  Unique)
 &rst
  ixpk= 10, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1375,1384,
 &end
#
#    52  TYR  HD     52  TYR  HE        2.8   (#    15:25  Unique)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 791, 800,
 igr2= 793, 798,
 &end
#
#   120  TRP  HZ2   120  TRP  HH2       2.8   (#    20:25  Unique)
 &rst
  ixpk= 20, nxpk= 25, iat=1830,1832, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    49  TRP  HE3    49  TRP  HZ3       4.5   (#    24:25  Unique)
 &rst
  ixpk= 24, nxpk= 25, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    55  ASP  HN     52  TYR  HD        5.5   (#    26:25  Unique)
 &rst
  ixpk= 26, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 800,
 &end
#
#   100  ALA  HN    102  HIS  HE1       4.5   (#    27:25  Unique)
 &rst
  ixpk= 27, nxpk= 25, iat=1496,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    49  TRP  HH2    49  TRP  HZ2       3.5   (#    42:25  Unique)
 &rst
  ixpk= 42, nxpk= 25, iat= 749, 747, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    93  TYR  HD     93  TYR  HE        2.8   (#    43:25  Unique)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1403,1412,
 igr2=1405,1410,
 &end
#
#    57  TYR  HD     57  TYR  HE        2.8   (#    46:25  Unique)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 870, 879,
 igr2= 872, 877,
 &end
#
#    52  TYR  HE     52  TYR  HD        2.8   (#    47:25  Unique)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 793, 798,
 igr2= 791, 800,
 &end
#
#    49  TRP  HZ3    49  TRP  HE3       4.5   (#    48:25  Unique)
 &rst
  ixpk= 48, nxpk= 25, iat= 751, 753, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    97  TYR  HD     97  TYR  HE        2.8   (#    56:25  Unique)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1462,1471,
 igr2=1464,1469,
 &end
#
#    93  TYR  HE     93  TYR  HD        2.8   (#    57:25  Unique)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1405,1410,
 igr2=1403,1412,
 &end
#
#    47  TYR  HD     47  TYR  HE        2.8   (#    67:25  Unique)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 699, 708,
 igr2= 701, 706,
 &end
#
#   125  TYR  HE    125  TYR  HD        2.8   (#    69:25  Unique)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1894,1899,
 igr2=1892,1901,
 &end
#
#    57  TYR  HE     57  TYR  HD        2.8   (#    72:25  Unique)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 872, 877,
 igr2= 870, 879,
 &end
#
#    97  TYR  HE     97  TYR  HD        2.8   (#    74:25  Unique)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1464,1469,
 igr2=1462,1471,
 &end
#
#    47  TYR  HE     47  TYR  HD        3.5   (#    75:25  Unique)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 701, 706,
 igr2= 699, 708,
 &end
#
#   102  HIS  HD2   102  HIS  HE1       4.5   (#    77:25  Unique)
 &rst
  ixpk= 77, nxpk= 25, iat=1536,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    91  TYR  HE     91  TYR  HD        2.8   (#    78:25  Unique)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1377,1382,
 igr2=1375,1384,
 &end
#
#   125  TYR  HD    125  TYR  HE        2.8   (#    79:25  Unique)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1892,1901,
 igr2=1894,1899,
 &end
#
#   122  ASN  HA    120  TRP  HE3       3.5   (#    87:25  Unique)
 &rst
  ixpk= 87, nxpk= 25, iat=1853,1836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    20  PHE  HA     20  PHE  HD        4.5   (#    88:25  Unique)
 &rst
  ixpk= 88, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 275, 283,
 &end
#
#    97  TYR  HA     97  TYR  HD        2.8   (#   103:25  Unique)
 &rst
  ixpk= 103, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1462,1471,
 &end
#
#    52  TYR  HA     52  TYR  HD        3.5   (#   104:25  Unique)
 &rst
  ixpk= 104, nxpk= 25, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 791, 800,
 &end
#
#   119  THR  HB     89  HIS  HE1       5.5   (#   105:25  Unique)
 &rst
  ixpk= 105, nxpk= 25, iat=1807,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  25-2:106  93  TYR  HE        5.5   (#   106:25  Single)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1886,1429,
 igr2=1405,1410,
 &end
#
#   125  TYR  HA    125  TYR  HD        4.5   (#   108:25  Unique)
 &rst
  ixpk= 108, nxpk= 25, iat=1886,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1892,1901,
 &end
#
#    77  GLY  HA+   102  HIS  HE1       4.5   (#   109:25  Unique)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#   106  THR  HB    120  TRP  HD1       4.5   (#   110:25  Unique)
 &rst
  ixpk= 110, nxpk= 25, iat=1584,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    52  TYR  HB-    52  TYR  HD        3.5   (#   111:25  Unique)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 787, 788,
 igr2= 791, 800,
 &end
#
#    77  GLY  HA-   102  HIS  HE1       4.5   (#   112:25  Unique)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#    56  ILE  HA     49  TRP  HH2       5.5   (#   113:25  Unique)
 &rst
  ixpk= 113, nxpk= 25, iat= 845, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   124  GLY  HA-    91  TYR  HE        3.5   (#   114:25  Unique)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1879,1880,
 igr2=1377,1382,
 &end
#
#    57  TYR  HA     57  TYR  HD        3.5   (#   115:25  Unique)
 &rst
  ixpk= 115, nxpk= 25, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 870, 879,
 &end
#
#    49  TRP  HB+    49  TRP  HD1       4.5   (#   116:25  Unique)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 738, 739,
 &end
#
#    93  TYR  HB+    93  TYR  HD        4.5   (#   117:25  Unique)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1399,1400,
 igr2=1403,1412,
 &end
#
#    94  SER  HB+    97  TYR  HD        4.5   (#   118:25  Unique)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1420,1421,
 igr2=1462,1471,
 &end
#
#    49  TRP  HB-    49  TRP  HD1       3.5   (#   119:25  Unique)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 738, 739,
 &end
#
#     0  AMB  25-2:120  57  TYR  HD        3.5   (#   120:25  Single)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 867, 937, 938,
 igr2= 870, 879,
 &end
#
#    26  ARG  HD+    28  HIS  HE1       3.5   (#   121:25  Unique)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 394, 395,
 &end
#
#    91  TYR  HB+    91  TYR  HD        3.5   (#   122:25  Unique)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#     0  AMB  25-2:124 120  TRP  HD1       3.5   (#   124:25  Single)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1821,1822,1821,1822,1542,
 &end
#
#    97  TYR  HB+    97  TYR  HD        3.5   (#   125:25  Unique)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1462,1471,
 &end
#
#   125  TYR  HB+   125  TYR  HD        4.5   (#   127:25  Unique)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1888,1889,
 igr2=1892,1901,
 &end
#
#    57  TYR  HB2    57  TYR  HD        3.5   (#   129:25  Unique)
 &rst
  ixpk= 129, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 870, 879,
 &end
#
#    52  TYR  HB+    52  TYR  HD        3.5   (#   130:25  Unique)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 787, 788,
 igr2= 791, 800,
 &end
#
#    71  CYS  HB3    57  TYR  HE        4.5   (#   131:25  Unique)
 &rst
  ixpk= 131, nxpk= 25, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 877,
 &end
#
#    91  TYR  HB-    91  TYR  HD        3.5   (#   133:25  Unique)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#   102  HIS  HB2   120  TRP  HE3       4.5   (#   134:25  Unique)
 &rst
  ixpk= 134, nxpk= 25, iat=1527,1836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   125  TYR  HB-   125  TYR  HD        4.5   (#   136:25  Unique)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1888,1889,
 igr2=1892,1901,
 &end
#
#    93  TYR  HB-    93  TYR  HD        3.5   (#   138:25  Unique)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1399,1400,
 igr2=1403,1412,
 &end
#
#    59  LYS  HB+    49  TRP  HH2       3.5   (#   139:25  Unique)
 &rst
  ixpk= 139, nxpk= 25, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#     0  AMB  25-2:140  52  TYR  HD        3.5   (#   140:25  Single)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 772, 773, 775, 776,
 igr2= 791, 800,
 &end
#
#    51  GLU  HB-    52  TYR  HE        4.5   (#   141:25  Unique)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 772, 773,
 igr2= 793, 798,
 &end
#
#    97  TYR  HB-    97  TYR  HD        3.5   (#   142:25  Unique)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1462,1471,
 &end
#
#     0  AMB  25-2:143  52  TYR  HD        3.5   (#   143:25  Single)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 772, 773, 775, 776,
 igr2= 791, 800,
 &end
#
#    51  GLU  HB+    52  TYR  HE        3.5   (#   144:25  Unique)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773,
 igr2= 793, 798,
 &end
#
#     0  AMB  25-2:145  89  HIS  HE1       3.5   (#   145:25  Single)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1845,1846,1847,1303,1304,
 &end
#
#    45  ARG  HB3    47  TYR  HE        4.5   (#   146:25  Unique)
 &rst
  ixpk= 146, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 701, 706,
 &end
#
#    54  ALA  MB     97  TYR  HE        4.5   (#   147:25  Unique)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 825, 826, 827,
 igr2=1464,1469,
 &end
#
#   106  THR  MG2   120  TRP  HD1       3.5   (#   148:25  Unique)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#   103  ALA  MB    120  TRP  HZ2       3.5   (#   149:25  Unique)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1544,1545,1546,
 &end
#
#     0  AMB  25-2:150  47  TYR  HE        3.5   (#   150:25  Single)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929,
 igr2= 701, 706,
 &end
#
#    24  LEU  MDY    22  TYR  HE        3.5   (#   151:25  Unique)
 &rst
  ixpk= 151, 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
#
#    25  ILE  QD1    57  TYR  HD        2.8   (#   152:25  Unique)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 378, 379, 380,
 igr2= 870, 879,
 &end
#
#     0  AMB  25-2:153  97  TYR  HD        3.5   (#   153:25  Single)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,1448,1449,1450,
 igr2=1462,1471,
 &end
#
#    25  ILE  QD1    57  TYR  HE        3.5   (#   154:25  Unique)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 378, 379, 380,
 igr2= 872, 877,
 &end
#
#     0  AMB  25-2:155  97  TYR  HE        2.8   (#   155:25  Single)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1448,1449,1450, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2=1464,1469,
 &end
#
#    56  ILE  QD1    47  TYR  HD        3.5   (#   156:25  Unique)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858,
 igr2= 699, 708,
 &end
#
#   100  ALA  MB    102  HIS  HE1       3.5   (#   157:25  Unique)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1500,1501,1502,
 &end
#
#    90  VAL  MGX   102  HIS  HD2       2.8   (#   158:25  Unique)
 &rst
  ixpk= 158, nxpk= 25, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   120  TRP  HZ3   120  TRP  HE3       4.5   (#   160:25  Unique)
 &rst
  ixpk= 160, nxpk= 25, iat=1834,1836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    23  VAL  HA     22  TYR  HE        5.5   (#   162:25  Unique)
 &rst
  ixpk= 162, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319, 324,
 &end
#
#    28  HIS  HA     28  HIS  HD2       5.5   (#   164:25  Unique)
 &rst
  ixpk= 164, nxpk= 25, iat= 426, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    51  GLU  HA     52  TYR  HD        5.5   (#   165:25  Unique)
 &rst
  ixpk= 165, nxpk= 25, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 800,
 &end
#
#    73  CYS  HA     57  TYR  HD        4.5   (#   166:25  Unique)
 &rst
  ixpk= 166, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 870, 879,
 &end
#
#     0  AMB  25-2:168  93  TYR  HD        5.5   (#   168:25  Single)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1390,1391,1886,
 igr2=1403,1412,
 &end
#
#    57  TYR  HB3    57  TYR  HE        4.5   (#   171:25  Unique)
 &rst
  ixpk= 171, nxpk= 25, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 877,
 &end
#
#    71  CYS  HB2    57  TYR  HE        5.5   (#   172:25  Unique)
 &rst
  ixpk= 172, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 872, 877,
 &end
#
#     0  AMB  25-2:173  57  TYR  HE        4.5   (#   173:25  Single)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 375, 376, 369,
 igr2= 872, 877,
 &end
#
#    73  CYS  HB-    57  TYR  HE        5.5   (#   174:25  Unique)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2= 872, 877,
 &end
#
#    73  CYS  HA     57  TYR  HE        4.5   (#   175:25  Unique)
 &rst
  ixpk= 175, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 877,
 &end
#
#    57  TYR  HA     57  TYR  HE        5.5   (#   176:25  Unique)
 &rst
  ixpk= 176, nxpk= 25, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 872, 877,
 &end
#
#   125  TYR  HB-   125  TYR  HE        4.5   (#   177:25  Unique)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1888,1889,
 igr2=1894,1899,
 &end
#
#   125  TYR  HB+   125  TYR  HE        5.5   (#   178:25  Unique)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1888,1889,
 igr2=1894,1899,
 &end
#
#   102  HIS  HB3   120  TRP  HE3       5.5   (#   179:25  Unique)
 &rst
  ixpk= 179, nxpk= 25, iat=1528,1836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     0  AMB  25-2:182  49  TRP  HH2       4.5   (#   182:25  Single)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 665, 667, 668,
 &end
#
#    52  TYR  HB+    52  TYR  HE        5.5   (#   184:25  Unique)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 787, 788,
 igr2= 793, 798,
 &end
#
#    73  CYS  HB+    57  TYR  HD        4.5   (#   185:25  Unique)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1096,1097,
 igr2= 870, 879,
 &end
#
#    25  ILE  HG1+   57  TYR  HD        4.5   (#   186:25  Unique)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 375, 376,
 igr2= 870, 879,
 &end
#
#    60  VAL  MGY    47  TYR  HE        4.5   (#   187:25  Unique)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 701, 706,
 &end
#
#   103  ALA  MB    120  TRP  HD1       5.5   (#   188:25  Unique)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1544,1545,1546,
 &end
#
#     0  AMB  25-2:189  57  TYR  HE        7.0   (#   189:25  Single)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1096,1097,1081,1082,
 igr2= 872, 877,
 &end
#
#    73  CYS  HB-    57  TYR  HD        5.5   (#   190:25  Unique)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2= 870, 879,
 &end
#
#    95  MET  HG+    97  TYR  HD        7.0   (#   191:25  Unique)
 &rst
  ixpk= 191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1434,1435,
 igr2=1462,1471,
 &end
#
#   120  TRP  HA     89  HIS  HE1       5.5   (#   192:25  Unique)
 &rst
  ixpk= 192, nxpk= 25, iat=1819,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    89  HIS  HE1   121  ALA  HN         5.5   (#   193:25)
 &rst
  ixpk= 193, nxpk= 25, iat=1344,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    49  TRP  HA     49  TRP  HD1       5.5   (#   194:25  Unique)
 &rst
  ixpk= 194, nxpk= 25, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    94  SER  HN     93  TYR  HD        5.5   (#   196:25  Unique)
 &rst
  ixpk= 196, nxpk= 25, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1403,1412,
 &end
#
#    52  TYR  HN     52  TYR  HD        4.5   (#   200:25  Unique)
 &rst
  ixpk= 200, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 800,
 &end
#
#    71  CYS  HA     28  HIS  HD2       4.5   (#   206:25  Unique)
 &rst
  ixpk= 206, nxpk= 25, iat=1068, 437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     0  AMB  25-2:208  91  TYR  HD        5.5   (#   208:25  Single)
 &rst
  ixpk= 208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1369,1853,
 igr2=1375,1384,
 &end
#
#     0  AMB  25-2:209  47  TYR  HD        5.5   (#   209:25  Single)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 760, 736,
 igr2= 699, 708,
 &end
#
#    78  ARG  HN    102  HIS  HE1       5.5   (#   213:25  Unique)
 &rst
  ixpk= 213, nxpk= 25, iat=1143,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    58  ASP  HN     57  TYR  HD        5.5   (#   214:25  Unique)
 &rst
  ixpk= 214, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 870, 879,
 &end
#
#   103  ALA  MB    120  TRP  HH2       5.5   (#   215:25  Unique)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1544,1545,1546,
 &end
#
#    50  ALA  HA     49  TRP  HE3       5.5   (#   216:25  Unique)
 &rst
  ixpk= 216, nxpk= 25, iat= 760, 753, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   120  TRP  HE3   120  TRP  HZ3       5.5   (#   217:25  Unique)
 &rst
  ixpk= 217, nxpk= 25, iat=1836,1834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   122  ASN  HN    120  TRP  HZ3       5.5   (#   218:25  Unique)
 &rst
  ixpk= 218, nxpk= 25, iat=1851,1834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   125  TYR  HB+    93  TYR  HE        5.5   (#   220:25  Unique)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1888,1889,
 igr2=1405,1410,
 &end
#
#    52  TYR  HB-    52  TYR  HE        4.5   (#   223:25  Unique)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 787, 788,
 igr2= 793, 798,
 &end
#
#    76  GLY  HA-    22  TYR  HE        5.5   (#   224:25  Unique)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1132,
 igr2= 319, 324,
 &end
#
#     0  AMB  25-2:225 102  HIS  HD2       5.5   (#   225:25  Single)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 319, 324,1533,
 &end
#
#     0  AMB  25-2:226  97  TYR  HE        7.0   (#   226:25  Single)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 862,1129,
 igr2=1464,1469,
 &end
#
#    59  LYS  HD+    49  TRP  HZ2       4.5   (#   227:25  Unique)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 905, 906,
 &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 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
#
# 53 HIS HN 126 PO4 O3 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 804,1906, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 53 HIS  N 126 PO4 O3 2.5 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 803,1906, r1= 2.00, r2= 2.50, r3= 3.00, r4= 3.50,  &end
#
# 96 ALA HN 126 PO4 O2 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1908, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 96 ALA  N 126 PO4 O2 2.5 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1908, r1= 2.00, r2= 2.50, r3= 3.00, r4= 3.50,  &end
#
# 54 ALA HN 126 PO4 MO 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02,
 igr2=1904,1908,1906,1907,
 &end
#
# 54 ALA N  126 PO4 MO 2.5 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 2.00, r2= 2.50, r3= 3.78, r4= 4.28,
 igr2=1904,1908,1906,1907,
 &end
#
# 94 SER HG 126 PO4 O2 1.9 2.1
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1908, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
# 94 SER OG 126 PO4 O2 2.5 3.1
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1908, r1= 2.00, r2= 2.50, r3= 3.10, r4= 3.60,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   MET   1           HA       MET   1 -14.248  -6.604  20.698
    2    H1   MET   1           H1       MET   1 -16.150  -8.625  21.658
    3    H2   MET   1           H2       MET   1 -16.436  -7.505  20.507
    4    H3   MET   1           H3       MET   1 -16.186  -7.031  22.055
    5    HB2  MET   1           2HB      MET   1 -14.022  -8.653  22.931
    6    HB3  MET   1           3HB      MET   1 -12.598  -8.174  22.017
    7    HG2  MET   1           2HG      MET   1 -14.372  -6.272  23.576
    8    HG3  MET   1           3HG      MET   1 -12.782  -6.875  24.040
    9    HE1  MET   1           3HE      MET   1 -13.242  -3.866  24.234
   10    HE2  MET   1           1HE      MET   1 -11.649  -4.625  24.464
   11    HE3  MET   1           2HE      MET   1 -11.813  -3.206  23.407
   12    H    ALA   2           H        ALA   2 -12.498  -7.383  19.488
   13    HA   ALA   2           HA       ALA   2 -12.368 -10.137  18.583
   14    HB1  ALA   2           3HB      ALA   2 -13.831  -9.128  16.833
   15    HB2  ALA   2           1HB      ALA   2 -12.664  -7.803  16.616
   16    HB3  ALA   2           2HB      ALA   2 -12.216  -9.466  16.188
   17    H    VAL   3           H        VAL   3 -10.165 -10.354  17.467
   18    HA   VAL   3           HA       VAL   3  -8.349  -8.097  17.939
   19    HB   VAL   3           HB       VAL   3  -8.252  -9.399  19.997
   20   HG11  VAL   3          1HG1      VAL   3  -7.167 -11.747  18.405
   21   HG12  VAL   3          2HG1      VAL   3  -7.314 -11.615  20.165
   22   HG13  VAL   3          3HG1      VAL   3  -8.773 -11.675  19.166
   23   HG21  VAL   3          3HG2      VAL   3  -5.690  -9.660  18.389
   24   HG22  VAL   3          1HG2      VAL   3  -6.274  -8.174  19.169
   25   HG23  VAL   3          2HG2      VAL   3  -5.842  -9.576  20.155
   26    H    ALA   4           H        ALA   4  -7.349  -7.733  16.120
   27    HA   ALA   4           HA       ALA   4  -7.475  -9.522  13.859
   28    HB1  ALA   4           3HB      ALA   4  -7.483  -7.047  13.666
   29    HB2  ALA   4           1HB      ALA   4  -5.827  -6.989  14.312
   30    HB3  ALA   4           2HB      ALA   4  -6.151  -7.768  12.752
   31    H    ASP   5           H        ASP   5  -5.301  -9.853  12.642
   32    HA   ASP   5           HA       ASP   5  -2.904 -10.271  14.216
   33    HB2  ASP   5           2HB      ASP   5  -3.952 -12.491  14.503
   34    HB3  ASP   5           3HB      ASP   5  -4.287 -12.586  12.773
   35    H    LEU   6           H        LEU   6  -1.096 -10.259  12.671
   36    HA   LEU   6           HA       LEU   6  -1.614  -8.462  10.589
   37    HG   LEU   6           HG       LEU   6   0.733  -9.085  12.997
   38    HB2  LEU   6           2HB      LEU   6   0.841 -10.233  10.907
   39    HB3  LEU   6           3HB      LEU   6   0.705  -8.742   9.990
   40   HD11  LEU   6          1HD1      LEU   6   2.398  -7.302  11.178
   41   HD12  LEU   6          2HD1      LEU   6   2.660  -7.632  12.897
   42   HD13  LEU   6          3HD1      LEU   6   2.888  -8.926  11.713
   43   HD21  LEU   6          3HD2      LEU   6  -0.172  -6.658  11.428
   44   HD22  LEU   6          1HD2      LEU   6  -1.005  -7.467  12.760
   45   HD23  LEU   6          2HD2      LEU   6   0.459  -6.537  13.085
   46    H    ALA   7           H        ALA   7  -1.638 -12.009  10.469
   47    HA   ALA   7           HA       ALA   7  -1.393 -12.199   7.629
   48    HB1  ALA   7           3HB      ALA   7  -0.963 -14.091   9.169
   49    HB2  ALA   7           1HB      ALA   7  -2.685 -14.107   9.625
   50    HB3  ALA   7           2HB      ALA   7  -2.200 -14.498   7.964
   51    H    LEU   8           H        LEU   8  -4.079 -11.386   9.780
   52    HA   LEU   8           HA       LEU   8  -6.173 -12.146   7.872
   53    HG   LEU   8           HG       LEU   8  -5.691 -12.881  10.928
   54    HB2  LEU   8           2HB      LEU   8  -6.311 -10.515  10.445
   55    HB3  LEU   8           3HB      LEU   8  -7.690 -11.071   9.512
   56   HD11  LEU   8          1HD1      LEU   8  -8.586 -12.193  11.595
   57   HD12  LEU   8          2HD1      LEU   8  -7.555 -13.350  12.467
   58   HD13  LEU   8          3HD1      LEU   8  -7.150 -11.630  12.475
   59   HD21  LEU   8          3HD2      LEU   8  -8.246 -13.567   9.409
   60   HD22  LEU   8          1HD2      LEU   8  -6.588 -14.046   8.975
   61   HD23  LEU   8          2HD2      LEU   8  -7.332 -14.694  10.436
   62    H    ILE   9           H        ILE   9  -4.291  -9.260   8.650
   63    HA   ILE   9           HA       ILE   9  -6.095  -7.335   7.588
   64    HB   ILE   9           HB       ILE   9  -3.067  -7.145   7.628
   65   HG12  ILE   9          2HG1      ILE   9  -5.025  -6.354   9.844
   66   HG13  ILE   9          3HG1      ILE   9  -3.966  -7.767   9.890
   67   HG21  ILE   9          1HG2      ILE   9  -5.212  -4.979   7.710
   68   HG22  ILE   9          2HG2      ILE   9  -3.457  -4.708   7.721
   69   HG23  ILE   9          3HG2      ILE   9  -4.222  -5.393   6.297
   70   HD11  ILE   9          3HD1      ILE   9  -1.983  -6.281   9.715
   71   HD12  ILE   9          1HD1      ILE   9  -3.066  -4.882   9.935
   72   HD13  ILE   9          2HD1      ILE   9  -2.929  -6.108  11.204
   73    HA   PRO  10           HA       PRO  10  -5.775  -8.438   3.175
   74    HB2  PRO  10           2HB      PRO  10  -6.290  -5.456   3.011
   75    HB3  PRO  10           3HB      PRO  10  -6.985  -6.766   2.000
   76    HG2  PRO  10           2HG      PRO  10  -8.434  -5.709   4.022
   77    HG3  PRO  10           3HG      PRO  10  -8.389  -7.491   3.812
   78    HD2  PRO  10           2HD      PRO  10  -6.828  -5.785   5.762
   79    HD3  PRO  10           3HD      PRO  10  -7.646  -7.354   6.029
   80    H    ASP  11           H        ASP  11  -3.888  -8.558   1.999
   81    HA   ASP  11           HA       ASP  11  -1.606  -7.053   2.954
   82    HB2  ASP  11           2HB      ASP  11  -1.794  -9.533   2.166
   83    HB3  ASP  11           3HB      ASP  11  -1.602  -8.878   0.535
   84    H    VAL  12           H        VAL  12  -3.570  -7.068   0.006
   85    HA   VAL  12           HA       VAL  12  -2.620  -4.352  -0.673
   86    HB   VAL  12           HB       VAL  12  -3.126  -6.546  -2.721
   87   HG11  VAL  12          1HG1      VAL  12  -2.112  -3.696  -3.102
   88   HG12  VAL  12          2HG1      VAL  12  -2.295  -4.926  -4.371
   89   HG13  VAL  12          3HG1      VAL  12  -3.720  -4.302  -3.548
   90   HG21  VAL  12          3HG2      VAL  12  -0.470  -5.353  -1.855
   91   HG22  VAL  12          1HG2      VAL  12  -0.989  -7.044  -1.698
   92   HG23  VAL  12          2HG2      VAL  12  -0.716  -6.360  -3.300
   93    H    ASP  13           H        ASP  13  -4.394  -3.054  -1.058
   94    HA   ASP  13           HA       ASP  13  -6.879  -4.104  -2.056
   95    HB2  ASP  13           2HB      ASP  13  -7.392  -4.442   0.324
   96    HB3  ASP  13           3HB      ASP  13  -6.864  -2.799   0.702
   97    H    ILE  14           H        ILE  14  -7.459  -2.575  -3.507
   98    HA   ILE  14           HA       ILE  14  -6.709   0.232  -3.240
   99    HB   ILE  14           HB       ILE  14  -5.552   0.194  -5.453
  100   HG12  ILE  14          2HG1      ILE  14  -5.573  -2.846  -5.151
  101   HG13  ILE  14          3HG1      ILE  14  -6.363  -1.896  -6.408
  102   HG21  ILE  14          1HG2      ILE  14  -4.036  -1.551  -3.480
  103   HG22  ILE  14          2HG2      ILE  14  -3.386  -0.368  -4.635
  104   HG23  ILE  14          3HG2      ILE  14  -4.322   0.183  -3.250
  105   HD11  ILE  14          3HD1      ILE  14  -4.029  -1.094  -7.105
  106   HD12  ILE  14          1HD1      ILE  14  -3.380  -2.330  -6.004
  107   HD13  ILE  14          2HD1      ILE  14  -4.388  -2.810  -7.376
  108    H    ASP  15           H        ASP  15  -7.774   1.485  -4.978
  109    HA   ASP  15           HA       ASP  15  -9.874   0.015  -6.504
  110    HB2  ASP  15           2HB      ASP  15 -11.056   1.154  -4.675
  111    HB3  ASP  15           3HB      ASP  15 -10.294   2.689  -5.128
  112    H    SER  16           H        SER  16  -8.950   0.051  -8.435
  113    HA   SER  16           HA       SER  16  -7.332   2.412  -9.267
  114    HG   SER  16           HG       SER  16  -6.734   0.003  -7.793
  115    HB2  SER  16           2HB      SER  16  -7.061  -0.501 -10.113
  116    HB3  SER  16           3HB      SER  16  -5.900   0.806 -10.379
  117    H    ASP  17           H        ASP  17  -7.930   3.427 -11.122
  118    HA   ASP  17           HA       ASP  17  -8.888   1.929 -13.399
  119    HB2  ASP  17           2HB      ASP  17 -11.030   2.289 -12.158
  120    HB3  ASP  17           3HB      ASP  17 -10.751   4.026 -12.207
  121    H    GLY  18           H        GLY  18  -6.491   3.358 -12.960
  122    HA2  GLY  18           2HA      GLY  18  -5.984   4.760 -15.160
  123    HA3  GLY  18           1HA      GLY  18  -6.779   6.021 -14.215
  124    H    VAL  19           H        VAL  19  -5.454   7.278 -13.131
  125    HA   VAL  19           HA       VAL  19  -2.821   6.327 -12.113
  126    HB   VAL  19           HB       VAL  19  -3.609   9.004 -13.365
  127   HG11  VAL  19          1HG1      VAL  19  -0.963   8.099 -12.171
  128   HG12  VAL  19          2HG1      VAL  19  -1.172   9.548 -13.179
  129   HG13  VAL  19          3HG1      VAL  19  -1.994   9.431 -11.622
  130   HG21  VAL  19          3HG2      VAL  19  -1.842   6.777 -14.425
  131   HG22  VAL  19          1HG2      VAL  19  -3.354   7.377 -15.128
  132   HG23  VAL  19          2HG2      VAL  19  -1.923   8.409 -15.119
  133    H    PHE  20           H        PHE  20  -2.773   6.504  -9.895
  134    HA   PHE  20           HA       PHE  20  -4.078   8.688  -8.463
  135    HD1  PHE  20           HD2      PHE  20  -5.547   5.334 -10.338
  136    HD2  PHE  20           HD1      PHE  20  -4.565   5.097  -6.143
  137    HE1  PHE  20           HE2      PHE  20  -4.890   2.964 -10.624
  138    HE2  PHE  20           HE1      PHE  20  -4.004   2.694  -6.416
  139    HZ   PHE  20           HZ       PHE  20  -4.084   1.656  -8.667
  140    HB2  PHE  20           2HB      PHE  20  -5.477   7.158  -7.087
  141    HB3  PHE  20           3HB      PHE  20  -6.024   7.231  -8.756
  142    H    LYS  21           H        LYS  21  -3.523   8.565  -6.138
  143    HA   LYS  21           HA       LYS  21  -0.742   7.706  -5.925
  144    HB2  LYS  21           2HB      LYS  21  -2.618   9.384  -4.234
  145    HB3  LYS  21           3HB      LYS  21  -0.992   8.971  -3.702
  146    HG2  LYS  21           2HG      LYS  21   0.017  10.031  -5.653
  147    HG3  LYS  21           3HG      LYS  21  -1.564  10.271  -6.406
  148    HD2  LYS  21           2HD      LYS  21  -2.211  11.787  -4.548
  149    HD3  LYS  21           3HD      LYS  21  -0.565  11.656  -3.888
  150    HE2  LYS  21           2HE      LYS  21   0.356  12.516  -6.041
  151    HE3  LYS  21           3HE      LYS  21  -1.276  12.581  -6.716
  152    HZ1  LYS  21           3HZ      LYS  21  -1.828  14.216  -4.970
  153    HZ2  LYS  21           1HZ      LYS  21  -0.257  14.237  -4.489
  154    HZ3  LYS  21           2HZ      LYS  21  -0.656  14.747  -5.987
  155    H    TYR  22           H        TYR  22   0.121   6.561  -4.101
  156    HA   TYR  22           HA       TYR  22  -1.697   4.855  -2.572
  157    HD1  TYR  22           HD2      TYR  22   1.800   4.415  -5.155
  158    HD2  TYR  22           HD1      TYR  22   0.265   1.669  -2.213
  159    HE1  TYR  22           HE2      TYR  22   4.116   3.765  -4.554
  160    HE2  TYR  22           HE1      TYR  22   2.562   1.001  -1.615
  161    HH   TYR  22           HH       TYR  22   4.817   1.365  -1.984
  162    HB2  TYR  22           2HB      TYR  22  -1.212   2.901  -3.590
  163    HB3  TYR  22           3HB      TYR  22  -0.690   3.852  -4.957
  164    H    VAL  23           H        VAL  23  -0.445   3.756  -0.800
  165    HA   VAL  23           HA       VAL  23   2.209   4.903  -0.248
  166    HB   VAL  23           HB       VAL  23   1.601   5.160   2.171
  167   HG11  VAL  23          1HG1      VAL  23   0.159   7.040   0.266
  168   HG12  VAL  23          2HG1      VAL  23   0.613   7.395   1.949
  169   HG13  VAL  23          3HG1      VAL  23   1.868   7.116   0.737
  170   HG21  VAL  23          3HG2      VAL  23  -1.267   4.975   1.165
  171   HG22  VAL  23          1HG2      VAL  23  -0.470   3.863   2.266
  172   HG23  VAL  23          2HG2      VAL  23  -0.775   5.541   2.769
  173    H    LEU  24           H        LEU  24   3.451   3.669   1.138
  174    HA   LEU  24           HA       LEU  24   2.711   0.780   1.281
  175    HG   LEU  24           HG       LEU  24   6.427   0.017   0.951
  176    HB2  LEU  24           2HB      LEU  24   4.818   1.681  -0.006
  177    HB3  LEU  24           3HB      LEU  24   5.466   2.068   1.563
  178   HD11  LEU  24          1HD1      LEU  24   4.117  -0.989   2.651
  179   HD12  LEU  24          2HD1      LEU  24   5.778  -1.601   2.554
  180   HD13  LEU  24          3HD1      LEU  24   5.471  -0.030   3.303
  181   HD21  LEU  24          3HD2      LEU  24   3.656  -0.940   0.148
  182   HD22  LEU  24          1HD2      LEU  24   5.013  -0.523  -0.924
  183   HD23  LEU  24          2HD2      LEU  24   5.123  -1.935   0.127
  184    H    ILE  25           H        ILE  25   2.189   0.219   3.457
  185    HA   ILE  25           HA       ILE  25   3.266   2.013   5.590
  186    HB   ILE  25           HB       ILE  25   0.433   0.943   5.423
  187   HG12  ILE  25          2HG1      ILE  25   1.617   3.730   5.090
  188   HG13  ILE  25          3HG1      ILE  25   0.688   2.800   3.920
  189   HG21  ILE  25          1HG2      ILE  25   1.759   2.647   7.578
  190   HG22  ILE  25          2HG2      ILE  25   0.051   2.148   7.539
  191   HG23  ILE  25          3HG2      ILE  25   1.288   0.939   7.739
  192   HD11  ILE  25          3HD1      ILE  25  -1.312   2.994   5.442
  193   HD12  ILE  25          1HD1      ILE  25  -0.349   4.089   6.466
  194   HD13  ILE  25          2HD1      ILE  25  -0.710   4.535   4.800
  195    H    ARG  26           H        ARG  26   4.407   1.055   7.020
  196    HA   ARG  26           HA       ARG  26   4.482  -1.888   7.214
  197    HE   ARG  26           HE       ARG  26   8.184   0.175   9.261
  198    HB2  ARG  26           2HB      ARG  26   6.580  -0.595   7.334
  199    HB3  ARG  26           3HB      ARG  26   5.981   0.319   8.714
  200    HG2  ARG  26           2HG      ARG  26   6.105  -1.505  10.176
  201    HG3  ARG  26           3HG      ARG  26   6.007  -2.703   8.890
  202    HD2  ARG  26           2HD      ARG  26   8.222  -2.603  10.005
  203    HD3  ARG  26           3HD      ARG  26   8.255  -2.426   8.246
  204   HH11  ARG  26          1HH2      ARG  26  10.369  -2.589   9.656
  205   HH12  ARG  26          2HH2      ARG  26  11.812  -1.654   9.564
  206   HH21  ARG  26          1HH1      ARG  26  10.120   1.432   9.065
  207   HH22  ARG  26          2HH1      ARG  26  11.662   0.679   9.200
  208    H    VAL  27           H        VAL  27   3.651  -2.934   8.939
  209    HA   VAL  27           HA       VAL  27   1.871  -1.581  10.873
  210    HB   VAL  27           HB       VAL  27   1.561  -3.680   8.703
  211   HG11  VAL  27          1HG1      VAL  27  -0.136  -3.790  11.200
  212   HG12  VAL  27          2HG1      VAL  27  -0.427  -4.631   9.649
  213   HG13  VAL  27          3HG1      VAL  27   1.017  -5.011  10.590
  214   HG21  VAL  27          3HG2      VAL  27  -0.387  -1.624   9.772
  215   HG22  VAL  27          1HG2      VAL  27   0.731  -1.372   8.408
  216   HG23  VAL  27          2HG2      VAL  27  -0.547  -2.597   8.295
  217    H    HIS  28           H        HIS  28   2.013  -2.571  12.933
  218    HA   HIS  28           HA       HIS  28   4.010  -4.786  13.270
  219    HD1  HIS  28           HD1      HIS  28   6.697  -3.718  13.322
  220    HD2  HIS  28           HD2      HIS  28   4.334  -0.270  13.862
  221    HE1  HIS  28           HE1      HIS  28   8.017  -1.774  12.338
  222    HB2  HIS  28           2HB      HIS  28   3.472  -2.406  15.088
  223    HB3  HIS  28           3HB      HIS  28   4.658  -3.681  15.350
  224    H    SER  29           H        SER  29   3.521  -6.279  14.965
  225    HA   SER  29           HA       SER  29   0.809  -6.796  15.567
  226    HG   SER  29           HG       SER  29   1.817  -9.108  15.012
  227    HB2  SER  29           2HB      SER  29   3.300  -7.742  16.997
  228    HB3  SER  29           3HB      SER  29   1.682  -8.457  17.128
  229    H    ALA  30           H        ALA  30  -0.081  -4.889  16.369
  230    HA   ALA  30           HA       ALA  30   0.098  -4.777  19.310
  231    HB1  ALA  30           3HB      ALA  30   1.327  -2.814  18.403
  232    HB2  ALA  30           1HB      ALA  30  -0.143  -2.308  17.541
  233    HB3  ALA  30           2HB      ALA  30  -0.118  -2.346  19.312
  234    HA   PRO  31           HA       PRO  31  -4.419  -4.715  17.384
  235    HB2  PRO  31           2HB      PRO  31  -4.233  -7.678  17.981
  236    HB3  PRO  31           3HB      PRO  31  -5.324  -6.836  16.837
  237    HG2  PRO  31           2HG      PRO  31  -3.071  -8.118  15.987
  238    HG3  PRO  31           3HG      PRO  31  -3.569  -6.554  15.275
  239    HD2  PRO  31           2HD      PRO  31  -1.420  -7.126  17.295
  240    HD3  PRO  31           3HD      PRO  31  -1.479  -5.936  15.954
  241    H    ARG  32           H        ARG  32  -6.131  -4.673  18.913
  242    HA   ARG  32           HA       ARG  32  -6.963  -4.195  20.961
  243    HE   ARG  32           HE       ARG  32  -8.836  -6.229  23.854
  244    HB2  ARG  32           2HB      ARG  32  -5.773  -6.956  21.349
  245    HB3  ARG  32           3HB      ARG  32  -6.419  -6.154  22.742
  246    HG2  ARG  32           2HG      ARG  32  -7.984  -6.752  20.207
  247    HG3  ARG  32           3HG      ARG  32  -8.039  -7.659  21.720
  248    HD2  ARG  32           2HD      ARG  32  -9.069  -4.862  21.191
  249    HD3  ARG  32           3HD      ARG  32  -9.978  -6.290  21.659
  250   HH11  ARG  32          1HH2      ARG  32  -9.125  -3.179  22.044
  251   HH12  ARG  32          2HH2      ARG  32  -8.737  -2.184  23.395
  252   HH21  ARG  32          1HH1      ARG  32  -8.367  -4.891  25.658
  253   HH22  ARG  32          2HH1      ARG  32  -8.352  -3.179  25.499
  254    H    SER  33           H        SER  33  -3.868  -3.504  20.468
  255    HA   SER  33           HA       SER  33  -2.147  -2.653  21.571
  256    HG   SER  33           HG       SER  33  -4.249   0.145  22.357
  257    HB2  SER  33           2HB      SER  33  -4.132  -1.730  23.681
  258    HB3  SER  33           3HB      SER  33  -2.542  -1.041  23.320
  259    H    GLY  34           H        GLY  34  -2.905  -5.465  22.060
  260    HA2  GLY  34           2HA      GLY  34  -1.346  -6.004  24.491
  261    HA3  GLY  34           1HA      GLY  34  -3.080  -6.329  24.608
  262    H    ALA  35           H        ALA  35  -2.236  -7.001  21.379
  263    HA   ALA  35           HA       ALA  35  -2.290  -9.809  21.607
  264    HB1  ALA  35           3HB      ALA  35  -2.678  -8.616  19.496
  265    HB2  ALA  35           1HB      ALA  35  -0.989  -8.051  19.479
  266    HB3  ALA  35           2HB      ALA  35  -1.355  -9.781  19.307
  267    HA   PRO  36           HA       PRO  36   1.771 -10.383  23.358
  268    HB2  PRO  36           2HB      PRO  36   2.114 -13.088  23.145
  269    HB3  PRO  36           3HB      PRO  36   0.896 -12.346  24.227
  270    HG2  PRO  36           2HG      PRO  36   0.471 -13.450  21.430
  271    HG3  PRO  36           3HG      PRO  36  -0.485 -13.788  22.909
  272    HD2  PRO  36           2HD      PRO  36  -1.262 -11.911  21.084
  273    HD3  PRO  36           3HD      PRO  36  -1.519 -11.670  22.839
  274    H    ALA  37           H        ALA  37   1.156 -11.210  20.010
  275    HA   ALA  37           HA       ALA  37   3.803 -11.954  19.210
  276    HB1  ALA  37           3HB      ALA  37   1.838 -12.424  17.823
  277    HB2  ALA  37           1HB      ALA  37   1.501 -10.686  17.653
  278    HB3  ALA  37           2HB      ALA  37   2.962 -11.385  16.929
  279    H    ALA  38           H        ALA  38   5.267 -10.660  17.915
  280    HA   ALA  38           HA       ALA  38   5.139  -7.721  18.123
  281    HB1  ALA  38           3HB      ALA  38   6.359  -8.464  20.155
  282    HB2  ALA  38           1HB      ALA  38   7.504  -9.364  19.131
  283    HB3  ALA  38           2HB      ALA  38   7.413  -7.590  19.030
  284    H    GLU  39           H        GLU  39   4.584  -9.354  15.924
  285    HA   GLU  39           HA       GLU  39   6.997  -9.522  14.245
  286    HB2  GLU  39           2HB      GLU  39   4.070 -10.143  13.626
  287    HB3  GLU  39           3HB      GLU  39   5.437 -10.482  12.582
  288    HG2  GLU  39           2HG      GLU  39   4.832 -11.727  15.281
  289    HG3  GLU  39           3HG      GLU  39   4.572 -12.518  13.785
  290    H    SER  40           H        SER  40   6.422  -8.645  11.901
  291    HA   SER  40           HA       SER  40   4.820  -6.211  11.915
  292    HG   SER  40           HG       SER  40   8.336  -5.395  12.637
  293    HB2  SER  40           2HB      SER  40   7.643  -6.181  10.827
  294    HB3  SER  40           3HB      SER  40   6.514  -4.828  10.890
  295    H    LYS  41           H        LYS  41   4.383  -5.522   9.707
  296    HA   LYS  41           HA       LYS  41   4.611  -7.473   7.520
  297    HB2  LYS  41           2HB      LYS  41   2.780  -8.318   8.925
  298    HB3  LYS  41           3HB      LYS  41   2.034  -6.731   8.985
  299    HG2  LYS  41           2HG      LYS  41   2.254  -7.710   6.210
  300    HG3  LYS  41           3HG      LYS  41   1.451  -8.874   7.270
  301    HD2  LYS  41           2HD      LYS  41  -0.146  -7.193   8.040
  302    HD3  LYS  41           3HD      LYS  41   0.680  -5.942   7.115
  303    HE2  LYS  41           2HE      LYS  41  -1.377  -6.615   6.040
  304    HE3  LYS  41           3HE      LYS  41   0.014  -6.966   5.002
  305    HZ1  LYS  41           3HZ      LYS  41  -0.293  -9.209   5.269
  306    HZ2  LYS  41           1HZ      LYS  41  -1.128  -9.087   6.704
  307    HZ3  LYS  41           2HZ      LYS  41  -1.856  -8.704   5.299
  308    H    GLU  42           H        GLU  42   3.507  -6.350   5.537
  309    HA   GLU  42           HA       GLU  42   3.416  -3.394   5.850
  310    HB2  GLU  42           2HB      GLU  42   4.846  -4.942   3.646
  311    HB3  GLU  42           3HB      GLU  42   4.469  -3.231   3.610
  312    HG2  GLU  42           2HG      GLU  42   6.724  -3.322   4.213
  313    HG3  GLU  42           3HG      GLU  42   5.868  -2.927   5.695
  314    H    ILE  43           H        ILE  43   1.891  -2.412   4.512
  315    HA   ILE  43           HA       ILE  43   0.196  -4.190   2.849
  316    HB   ILE  43           HB       ILE  43  -1.763  -2.825   3.532
  317   HG12  ILE  43          2HG1      ILE  43  -0.066  -1.826   5.849
  318   HG13  ILE  43          3HG1      ILE  43  -0.588  -0.854   4.469
  319   HG21  ILE  43          1HG2      ILE  43  -0.494  -4.317   5.846
  320   HG22  ILE  43          2HG2      ILE  43  -2.229  -4.129   5.503
  321   HG23  ILE  43          3HG2      ILE  43  -1.232  -5.085   4.411
  322   HD11  ILE  43          3HD1      ILE  43  -2.968  -1.218   5.108
  323   HD12  ILE  43          1HD1      ILE  43  -2.445  -2.128   6.540
  324   HD13  ILE  43          2HD1      ILE  43  -2.029  -0.423   6.384
  325    H    VAL  44           H        VAL  44  -0.790  -3.226   1.111
  326    HA   VAL  44           HA       VAL  44   0.409  -0.667   0.128
  327    HB   VAL  44           HB       VAL  44  -0.654  -3.099  -1.378
  328   HG11  VAL  44          1HG1      VAL  44   0.872  -0.709  -2.478
  329   HG12  VAL  44          2HG1      VAL  44   0.266  -2.100  -3.393
  330   HG13  VAL  44          3HG1      VAL  44  -0.879  -0.972  -2.663
  331   HG21  VAL  44          3HG2      VAL  44   2.245  -2.253  -1.032
  332   HG22  VAL  44          1HG2      VAL  44   1.478  -3.672  -0.288
  333   HG23  VAL  44          2HG2      VAL  44   1.652  -3.585  -2.042
  334    H    ARG  45           H        ARG  45  -1.094   0.940   0.104
  335    HA   ARG  45           HA       ARG  45  -3.966   0.315  -0.423
  336    HE   ARG  45           HE       ARG  45  -4.263  -1.653   0.760
  337    HB2  ARG  45           2HB      ARG  45  -2.808   2.260   1.645
  338    HB3  ARG  45           3HB      ARG  45  -4.480   2.285   1.112
  339    HG2  ARG  45           2HG      ARG  45  -3.127   0.071   2.701
  340    HG3  ARG  45           3HG      ARG  45  -4.323   1.227   3.251
  341    HD2  ARG  45           2HD      ARG  45  -5.858  -0.338   2.888
  342    HD3  ARG  45           3HD      ARG  45  -5.705   0.134   1.194
  343   HH11  ARG  45          1HH2      ARG  45  -5.713  -1.944   4.006
  344   HH12  ARG  45          2HH2      ARG  45  -5.019  -3.499   4.306
  345   HH21  ARG  45          1HH1      ARG  45  -3.286  -3.607   1.216
  346   HH22  ARG  45          2HH1      ARG  45  -3.659  -4.493   2.671
  347    H    GLY  46           H        GLY  46  -4.933   1.870  -1.810
  348    HA2  GLY  46           2HA      GLY  46  -3.878   4.448  -2.301
  349    HA3  GLY  46           1HA      GLY  46  -3.309   3.345  -3.573
  350    H    TYR  47           H        TYR  47  -5.437   5.611  -3.358
  351    HA   TYR  47           HA       TYR  47  -7.580   4.188  -4.827
  352    HD1  TYR  47           HD1      TYR  47  -9.585   2.506  -3.097
  353    HD2  TYR  47           HD2      TYR  47  -6.817   4.725  -0.684
  354    HE1  TYR  47           HE1      TYR  47  -9.455   0.591  -1.541
  355    HE2  TYR  47           HE2      TYR  47  -6.715   2.833   0.940
  356    HH   TYR  47           HH       TYR  47  -8.508  -0.247   0.409
  357    HB2  TYR  47           2HB      TYR  47  -8.159   5.834  -2.334
  358    HB3  TYR  47           3HB      TYR  47  -9.321   4.972  -3.327
  359    H    LYS  48           H        LYS  48  -8.848   5.625  -6.068
  360    HA   LYS  48           HA       LYS  48  -7.604   8.022  -6.891
  361    HB2  LYS  48           2HB      LYS  48  -9.081   6.603  -8.255
  362    HB3  LYS  48           3HB      LYS  48 -10.491   7.139  -7.333
  363    HG2  LYS  48           2HG      LYS  48 -10.440   9.300  -8.269
  364    HG3  LYS  48           3HG      LYS  48  -8.708   9.231  -8.559
  365    HD2  LYS  48           2HD      LYS  48  -9.231   9.022 -10.683
  366    HD3  LYS  48           3HD      LYS  48  -9.459   7.323 -10.348
  367    HE2  LYS  48           2HE      LYS  48 -11.690   9.419 -10.265
  368    HE3  LYS  48           3HE      LYS  48 -11.235   8.543 -11.723
  369    HZ1  LYS  48           3HZ      LYS  48 -11.831   6.474 -10.623
  370    HZ2  LYS  48           1HZ      LYS  48 -12.296   7.277  -9.268
  371    HZ3  LYS  48           2HZ      LYS  48 -13.094   7.495 -10.669
  372    H    TRP  49           H        TRP  49  -9.942   7.551  -4.244
  373    HA   TRP  49           HA       TRP  49 -10.577  10.349  -4.060
  374    HD1  TRP  49           HD1      TRP  49 -12.571   6.541  -3.050
  375    HE1  TRP  49           HE1      TRP  49 -11.931   4.586  -1.549
  376    HE3  TRP  49           HE3      TRP  49  -9.017   8.858  -0.173
  377    HZ2  TRP  49           HZ2      TRP  49 -10.098   4.074   0.642
  378    HZ3  TRP  49           HZ3      TRP  49  -7.767   7.590   1.518
  379    HH2  TRP  49           HH2      TRP  49  -8.278   5.180   1.940
  380    HB2  TRP  49           2HB      TRP  49 -11.360   9.734  -1.736
  381    HB3  TRP  49           3HB      TRP  49 -12.163   9.019  -3.109
  382    H    ALA  50           H        ALA  50  -7.727   8.536  -2.943
  383    HA   ALA  50           HA       ALA  50  -6.990  10.671  -1.083
  384    HB1  ALA  50           3HB      ALA  50  -6.392   8.463  -0.454
  385    HB2  ALA  50           1HB      ALA  50  -5.475   8.206  -1.969
  386    HB3  ALA  50           2HB      ALA  50  -4.938   9.415  -0.768
  387    H    GLU  51           H        GLU  51  -7.143  12.398  -2.621
  388    HA   GLU  51           HA       GLU  51  -5.462  12.625  -4.905
  389    HB2  GLU  51           2HB      GLU  51  -7.574  13.948  -4.210
  390    HB3  GLU  51           3HB      GLU  51  -6.526  14.879  -3.155
  391    HG2  GLU  51           2HG      GLU  51  -6.808  16.163  -5.106
  392    HG3  GLU  51           3HG      GLU  51  -5.181  15.527  -5.236
  393    H    TYR  52           H        TYR  52  -4.584  12.592  -1.592
  394    HA   TYR  52           HA       TYR  52  -1.870  13.528  -2.163
  395    HD1  TYR  52           HD1      TYR  52  -4.634  15.996  -1.972
  396    HD2  TYR  52           HD2      TYR  52  -3.784  14.364   1.912
  397    HE1  TYR  52           HE1      TYR  52  -6.891  16.713  -1.196
  398    HE2  TYR  52           HE2      TYR  52  -6.023  15.071   2.716
  399    HH   TYR  52           HH       TYR  52  -8.389  16.756   0.590
  400    HB2  TYR  52           2HB      TYR  52  -2.029  14.625   0.240
  401    HB3  TYR  52           3HB      TYR  52  -2.341  15.507  -1.238
  402    H    HIS  53           H        HIS  53  -0.348  12.663  -0.359
  403    HA   HIS  53           HA       HIS  53  -1.111   9.832  -0.153
  404    HD2  HIS  53           HD2      HIS  53   0.848   8.271  -1.677
  405    HE1  HIS  53           HE1      HIS  53   2.546  11.288  -4.153
  406    HE2  HIS  53           HE2      HIS  53   1.791   8.845  -4.041
  407    HB2  HIS  53           2HB      HIS  53   1.442  11.329   0.599
  408    HB3  HIS  53           3HB      HIS  53   1.221   9.595   0.674
  409    H    ALA  54           H        ALA  54  -0.533  12.654   1.940
  410    HA   ALA  54           HA       ALA  54  -0.746  11.401   4.447
  411    HB1  ALA  54           3HB      ALA  54  -0.240  13.804   4.147
  412    HB2  ALA  54           1HB      ALA  54  -1.913  14.095   3.615
  413    HB3  ALA  54           2HB      ALA  54  -1.587  13.566   5.277
  414    H    ASP  55           H        ASP  55  -3.346  11.830   2.041
  415    HA   ASP  55           HA       ASP  55  -5.508  11.721   3.920
  416    HB2  ASP  55           2HB      ASP  55  -5.616  12.431   1.418
  417    HB3  ASP  55           3HB      ASP  55  -5.643  10.729   1.052
  418    H    ILE  56           H        ILE  56  -3.911   9.215   1.895
  419    HA   ILE  56           HA       ILE  56  -5.522   7.086   2.985
  420    HB   ILE  56           HB       ILE  56  -3.322   5.756   2.080
  421   HG12  ILE  56          2HG1      ILE  56  -3.317   8.320   0.476
  422   HG13  ILE  56          3HG1      ILE  56  -1.980   7.400   1.183
  423   HG21  ILE  56          1HG2      ILE  56  -5.676   6.572   0.389
  424   HG22  ILE  56          2HG2      ILE  56  -4.677   5.106   0.235
  425   HG23  ILE  56          3HG2      ILE  56  -5.685   5.326   1.654
  426   HD11  ILE  56          3HD1      ILE  56  -2.448   5.627  -0.577
  427   HD12  ILE  56          1HD1      ILE  56  -3.666   6.707  -1.280
  428   HD13  ILE  56          2HD1      ILE  56  -1.966   7.206  -1.235
  429    H    TYR  57           H        TYR  57  -2.246   8.407   3.804
  430    HA   TYR  57           HA       TYR  57  -1.701   6.314   5.641
  431    HD1  TYR  57           HD2      TYR  57  -0.487   6.024   7.572
  432    HD2  TYR  57           HD1      TYR  57   1.832   9.289   6.044
  433    HE1  TYR  57           HE2      TYR  57   1.155   5.719   9.405
  434    HE2  TYR  57           HE1      TYR  57   3.489   8.973   7.843
  435    HH   TYR  57           HH       TYR  57   4.024   7.823   9.795
  436    HB2  TYR  57           2HB      TYR  57  -0.060   7.921   4.701
  437    HB3  TYR  57           3HB      TYR  57  -0.741   9.184   5.714
  438    H    ASP  58           H        ASP  58  -3.365   9.500   6.200
  439    HA   ASP  58           HA       ASP  58  -3.768   9.110   8.977
  440    HB2  ASP  58           2HB      ASP  58  -4.059  11.280   7.908
  441    HB3  ASP  58           3HB      ASP  58  -5.414  10.669   6.953
  442    H    LYS  59           H        LYS  59  -5.941   8.323   6.201
  443    HA   LYS  59           HA       LYS  59  -8.105   7.286   7.765
  444    HB2  LYS  59           2HB      LYS  59  -8.385   7.994   5.506
  445    HB3  LYS  59           3HB      LYS  59  -7.182   6.862   4.893
  446    HG2  LYS  59           2HG      LYS  59  -8.582   5.050   4.948
  447    HG3  LYS  59           3HG      LYS  59  -9.519   5.649   6.339
  448    HD2  LYS  59           2HD      LYS  59 -10.659   7.283   5.012
  449    HD3  LYS  59           3HD      LYS  59  -9.644   6.953   3.597
  450    HE2  LYS  59           2HE      LYS  59 -10.549   4.642   3.477
  451    HE3  LYS  59           3HE      LYS  59 -11.564   4.960   4.891
  452    HZ1  LYS  59           3HZ      LYS  59 -12.714   6.661   3.600
  453    HZ2  LYS  59           1HZ      LYS  59 -11.763   6.380   2.295
  454    HZ3  LYS  59           2HZ      LYS  59 -12.792   5.230   2.828
  455    H    VAL  60           H        VAL  60  -5.403   5.564   6.108
  456    HA   VAL  60           HA       VAL  60  -6.424   3.003   6.853
  457    HB   VAL  60           HB       VAL  60  -3.703   3.892   5.820
  458   HG11  VAL  60          1HG1      VAL  60  -4.863   1.071   5.995
  459   HG12  VAL  60          2HG1      VAL  60  -3.323   1.538   5.215
  460   HG13  VAL  60          3HG1      VAL  60  -3.517   1.693   6.955
  461   HG21  VAL  60          3HG2      VAL  60  -5.976   2.529   4.301
  462   HG22  VAL  60          1HG2      VAL  60  -5.817   4.283   4.355
  463   HG23  VAL  60          2HG2      VAL  60  -4.522   3.347   3.647
  464    H    SER  61           H        SER  61  -3.593   4.963   8.181
  465    HA   SER  61           HA       SER  61  -3.138   2.945  10.147
  466    HG   SER  61           HG       SER  61  -0.350   4.694   9.303
  467    HB2  SER  61           2HB      SER  61  -2.224   5.825  10.019
  468    HB3  SER  61           3HB      SER  61  -1.676   4.623  11.214
  469    H    GLY  62           H        GLY  62  -5.457   5.615  10.005
  470    HA2  GLY  62           2HA      GLY  62  -6.198   5.633  12.767
  471    HA3  GLY  62           1HA      GLY  62  -7.231   6.036  11.374
  472    H    ASP  63           H        ASP  63  -7.392   3.683   9.923
  473    HA   ASP  63           HA       ASP  63  -9.139   2.042  11.448
  474    HB2  ASP  63           2HB      ASP  63  -9.246   2.234   8.992
  475    HB3  ASP  63           3HB      ASP  63  -7.733   1.330   8.857
  476    H    MET  64           H        MET  64  -5.716   1.471  10.441
  477    HA   MET  64           HA       MET  64  -5.395  -1.040  11.670
  478    HB2  MET  64           2HB      MET  64  -3.369   1.224  11.425
  479    HB3  MET  64           3HB      MET  64  -2.981  -0.415  11.867
  480    HG2  MET  64           2HG      MET  64  -4.192   0.356   9.193
  481    HG3  MET  64           3HG      MET  64  -2.500   0.032   9.497
  482    HE1  MET  64           3HE      MET  64  -6.109  -1.476   9.613
  483    HE2  MET  64           1HE      MET  64  -5.458  -1.291   7.951
  484    HE3  MET  64           2HE      MET  64  -5.790  -2.910   8.611
  485    H    GLN  65           H        GLN  65  -4.888   2.228  13.188
  486    HA   GLN  65           HA       GLN  65  -4.260   1.098  15.723
  487    HB2  GLN  65           2HB      GLN  65  -5.077   3.851  14.740
  488    HB3  GLN  65           3HB      GLN  65  -4.807   3.522  16.456
  489    HG2  GLN  65           2HG      GLN  65  -2.498   2.781  15.992
  490    HG3  GLN  65           3HG      GLN  65  -2.744   3.001  14.263
  491   HE21  GLN  65          2HE2      GLN  65  -0.961   4.502  14.163
  492   HE22  GLN  65          1HE2      GLN  65  -1.105   6.124  14.789
  493    H    LYS  66           H        LYS  66  -7.397   1.914  14.215
  494    HA   LYS  66           HA       LYS  66  -8.903   1.565  16.661
  495    HB2  LYS  66           2HB      LYS  66  -9.630   1.484  13.719
  496    HB3  LYS  66           3HB      LYS  66 -10.797   1.050  14.975
  497    HG2  LYS  66           2HG      LYS  66 -10.522   3.211  16.073
  498    HG3  LYS  66           3HG      LYS  66  -9.301   3.713  14.914
  499    HD2  LYS  66           2HD      LYS  66 -12.198   3.074  14.210
  500    HD3  LYS  66           3HD      LYS  66 -11.574   4.691  14.556
  501    HE2  LYS  66           2HE      LYS  66  -9.985   4.488  12.627
  502    HE3  LYS  66           3HE      LYS  66 -10.682   2.903  12.258
  503    HZ1  LYS  66           3HZ      LYS  66 -12.813   3.999  11.877
  504    HZ2  LYS  66           1HZ      LYS  66 -12.171   5.462  12.220
  505    HZ3  LYS  66           2HZ      LYS  66 -11.671   4.639  10.907
  506    H    GLN  67           H        GLN  67  -7.697  -0.782  14.147
  507    HA   GLN  67           HA       GLN  67  -8.825  -3.047  15.586
  508    HB2  GLN  67           2HB      GLN  67  -6.455  -2.947  13.663
  509    HB3  GLN  67           3HB      GLN  67  -7.273  -4.394  14.248
  510    HG2  GLN  67           2HG      GLN  67  -9.392  -3.616  13.162
  511    HG3  GLN  67           3HG      GLN  67  -8.550  -2.200  12.545
  512   HE21  GLN  67          2HE2      GLN  67  -8.347  -2.499  10.288
  513   HE22  GLN  67          1HE2      GLN  67  -7.783  -4.001   9.592
  514    H    GLY  68           H        GLY  68  -5.877  -1.151  15.834
  515    HA2  GLY  68           2HA      GLY  68  -5.161  -0.891  18.242
  516    HA3  GLY  68           1HA      GLY  68  -4.935  -2.643  18.237
  517    H    CYS  69           H        CYS  69  -4.093  -2.398  15.294
  518    HA   CYS  69           HA       CYS  69  -1.360  -2.820  15.623
  519    HG   CYS  69           HG       CYS  69  -2.913  -4.466  12.375
  520    HB2  CYS  69           2HB      CYS  69  -3.034  -2.010  13.222
  521    HB3  CYS  69           3HB      CYS  69  -1.338  -2.493  13.099
  522    H    ASP  70           H        ASP  70   0.470  -1.630  15.253
  523    HA   ASP  70           HA       ASP  70   0.206   1.344  15.270
  524    HB2  ASP  70           2HB      ASP  70   1.346   0.427  17.223
  525    HB3  ASP  70           3HB      ASP  70   2.421  -0.523  16.195
  526    H    CYS  71           H        CYS  71   1.537   2.503  13.711
  527    HA   CYS  71           HA       CYS  71   2.472   0.846  11.435
  528    HG   CYS  71           HG       CYS  71  -1.343   1.478  10.338
  529    HB2  CYS  71           2HB      CYS  71   0.401   3.095  11.336
  530    HB3  CYS  71           3HB      CYS  71   1.035   2.240   9.936
  531    H    GLU  72           H        GLU  72   3.626   2.039   9.747
  532    HA   GLU  72           HA       GLU  72   4.149   4.896  10.131
  533    HB2  GLU  72           2HB      GLU  72   5.975   3.929  11.391
  534    HB3  GLU  72           3HB      GLU  72   6.292   2.720  10.132
  535    HG2  GLU  72           2HG      GLU  72   7.117   4.347   8.622
  536    HG3  GLU  72           3HG      GLU  72   6.495   5.693   9.591
  537    H    CYS  73           H        CYS  73   3.993   5.806   7.967
  538    HA   CYS  73           HA       CYS  73   3.720   3.938   5.782
  539    HG   CYS  73           HG       CYS  73   3.639   8.195   4.520
  540    HB2  CYS  73           2HB      CYS  73   3.405   5.641   4.267
  541    HB3  CYS  73           3HB      CYS  73   2.541   6.129   5.709
  542    H    LEU  74           H        LEU  74   5.488   3.160   4.473
  543    HA   LEU  74           HA       LEU  74   8.225   3.892   5.290
  544    HG   LEU  74           HG       LEU  74   6.781   0.946   5.109
  545    HB2  LEU  74           2HB      LEU  74   7.228   2.111   3.028
  546    HB3  LEU  74           3HB      LEU  74   8.903   2.372   3.473
  547   HD11  LEU  74          1HD1      LEU  74   9.471  -0.002   4.026
  548   HD12  LEU  74          2HD1      LEU  74   8.236  -0.987   4.841
  549   HD13  LEU  74          3HD1      LEU  74   7.911  -0.301   3.243
  550   HD21  LEU  74          3HD2      LEU  74   9.599   1.746   5.950
  551   HD22  LEU  74          1HD2      LEU  74   8.063   2.152   6.760
  552   HD23  LEU  74          2HD2      LEU  74   8.645   0.483   6.749
  553    H    GLY  75           H        GLY  75   5.817   4.910   2.974
  554    HA2  GLY  75           2HA      GLY  75   6.829   7.347   2.368
  555    HA3  GLY  75           1HA      GLY  75   7.590   6.301   1.157
  556    H    GLY  76           H        GLY  76   6.201   7.718  -0.279
  557    HA2  GLY  76           2HA      GLY  76   3.655   6.286  -0.816
  558    HA3  GLY  76           1HA      GLY  76   3.678   8.053  -0.830
  559    H    GLY  77           H        GLY  77   2.909   6.827  -3.058
  560    HA2  GLY  77           2HA      GLY  77   4.705   7.797  -5.080
  561    HA3  GLY  77           1HA      GLY  77   4.661   6.024  -5.033
  562    H    ARG  78           H        ARG  78   3.554   6.309  -7.247
  563    HA   ARG  78           HA       ARG  78   0.662   6.294  -6.709
  564    HE   ARG  78           HE       ARG  78   1.902   8.837 -12.035
  565    HB2  ARG  78           2HB      ARG  78   0.008   7.731  -8.398
  566    HB3  ARG  78           3HB      ARG  78   1.291   8.587  -7.576
  567    HG2  ARG  78           2HG      ARG  78   2.837   7.916  -9.494
  568    HG3  ARG  78           3HG      ARG  78   1.405   7.206 -10.295
  569    HD2  ARG  78           2HD      ARG  78   0.237   9.456  -9.936
  570    HD3  ARG  78           3HD      ARG  78   1.807  10.100  -9.424
  571   HH11  ARG  78          1HH1      ARG  78   1.050  11.843 -10.329
  572   HH12  ARG  78          2HH1      ARG  78   1.126  12.836 -11.733
  573   HH21  ARG  78          1HH2      ARG  78   1.921  10.183 -13.938
  574   HH22  ARG  78          2HH2      ARG  78   1.679  11.880 -13.808
  575    H    ILE  79           H        ILE  79  -0.548   5.165  -8.278
  576    HA   ILE  79           HA       ILE  79   1.051   3.026  -9.586
  577    HB   ILE  79           HB       ILE  79  -1.664   2.895  -8.220
  578   HG12  ILE  79          2HG1      ILE  79   0.911   1.351  -7.659
  579   HG13  ILE  79          3HG1      ILE  79   0.375   2.748  -6.739
  580   HG21  ILE  79          1HG2      ILE  79  -0.223   0.740  -9.839
  581   HG22  ILE  79          2HG2      ILE  79  -1.739   0.511  -8.939
  582   HG23  ILE  79          3HG2      ILE  79  -1.712   1.580 -10.326
  583   HD11  ILE  79          3HD1      ILE  79  -1.708   1.502  -6.098
  584   HD12  ILE  79          1HD1      ILE  79  -1.027   0.052  -6.876
  585   HD13  ILE  79          2HD1      ILE  79  -0.201   0.782  -5.497
  586    H    SER  80           H        SER  80   0.662   2.814 -11.696
  587    HA   SER  80           HA       SER  80  -1.696   4.039 -12.959
  588    HG   SER  80           HG       SER  80   0.873   6.596 -13.410
  589    HB2  SER  80           2HB      SER  80   1.139   4.467 -13.994
  590    HB3  SER  80           3HB      SER  80  -0.367   5.072 -14.712
  591    H    HIS  81           H        HIS  81  -2.084   2.966 -15.067
  592    HA   HIS  81           HA       HIS  81  -0.340   0.700 -15.748
  593    HD1  HIS  81           HD1      HIS  81  -4.384  -1.963 -15.154
  594    HD2  HIS  81           HD2      HIS  81  -4.097   2.235 -15.283
  595    HE1  HIS  81           HE1      HIS  81  -6.758  -1.086 -15.391
  596    HB2  HIS  81           2HB      HIS  81  -1.943  -0.998 -15.558
  597    HB3  HIS  81           3HB      HIS  81  -1.962  -0.147 -14.026
  598    H    GLN  82           H        GLN  82  -0.990   3.256 -16.939
  599    HA   GLN  82           HA       GLN  82  -2.906   2.921 -19.105
  600    HB2  GLN  82           2HB      GLN  82  -0.872   5.067 -18.368
  601    HB3  GLN  82           3HB      GLN  82  -1.952   5.196 -19.754
  602    HG2  GLN  82           2HG      GLN  82  -3.137   4.728 -16.996
  603    HG3  GLN  82           3HG      GLN  82  -2.534   6.317 -17.436
  604   HE21  GLN  82          2HE2      GLN  82  -5.083   3.924 -18.123
  605   HE22  GLN  82          1HE2      GLN  82  -6.043   4.992 -19.110
  606    H    SER  83           H        SER  83   0.253   4.282 -19.816
  607    HA   SER  83           HA       SER  83   1.635   3.950 -21.579
  608    HG   SER  83           HG       SER  83   2.157   2.549 -18.660
  609    HB2  SER  83           2HB      SER  83   1.765   1.197 -20.294
  610    HB3  SER  83           3HB      SER  83   3.025   1.978 -21.266
  611    H    GLN  84           H        GLN  84   2.226   1.371 -22.918
  612    HA   GLN  84           HA       GLN  84  -0.278   0.733 -24.375
  613    HB2  GLN  84           2HB      GLN  84   2.467   0.977 -25.690
  614    HB3  GLN  84           3HB      GLN  84   0.945   0.535 -26.454
  615    HG2  GLN  84           2HG      GLN  84   1.258   2.756 -27.099
  616    HG3  GLN  84           3HG      GLN  84   0.047   2.833 -25.829
  617   HE21  GLN  84          1HE2      GLN  84   0.408   4.748 -24.699
  618   HE22  GLN  84          2HE2      GLN  84   1.974   5.344 -24.205
  619    H    ASP  85           H        ASP  85   1.201  -0.327 -22.028
  620    HA   ASP  85           HA       ASP  85   1.558  -3.141 -22.748
  621    HB2  ASP  85           2HB      ASP  85   3.844  -2.145 -22.880
  622    HB3  ASP  85           3HB      ASP  85   3.652  -1.483 -21.256
  623    H    LYS  86           H        LYS  86   0.227  -4.090 -21.275
  624    HA   LYS  86           HA       LYS  86  -1.184  -2.374 -19.424
  625    HB2  LYS  86           2HB      LYS  86  -1.553  -5.366 -19.919
  626    HB3  LYS  86           3HB      LYS  86  -2.656  -4.277 -19.081
  627    HG2  LYS  86           2HG      LYS  86  -3.680  -4.231 -21.117
  628    HG3  LYS  86           3HG      LYS  86  -2.564  -2.891 -21.348
  629    HD2  LYS  86           2HD      LYS  86  -0.972  -4.749 -22.388
  630    HD3  LYS  86           3HD      LYS  86  -2.440  -5.721 -22.455
  631    HE2  LYS  86           2HE      LYS  86  -3.542  -4.035 -23.849
  632    HE3  LYS  86           3HE      LYS  86  -2.193  -2.915 -23.632
  633    HZ1  LYS  86           3HZ      LYS  86  -0.781  -4.444 -24.865
  634    HZ2  LYS  86           1HZ      LYS  86  -2.008  -5.511 -25.048
  635    HZ3  LYS  86           2HZ      LYS  86  -2.079  -4.050 -25.762
  636    H    LYS  87           H        LYS  87   1.714  -3.854 -18.998
  637    HA   LYS  87           HA       LYS  87   1.663  -5.006 -16.438
  638    HB2  LYS  87           2HB      LYS  87   3.535  -4.485 -18.292
  639    HB3  LYS  87           3HB      LYS  87   3.902  -3.126 -17.243
  640    HG2  LYS  87           2HG      LYS  87   4.453  -4.592 -15.420
  641    HG3  LYS  87           3HG      LYS  87   3.701  -5.979 -16.220
  642    HD2  LYS  87           2HD      LYS  87   6.226  -4.576 -17.176
  643    HD3  LYS  87           3HD      LYS  87   6.131  -6.127 -16.327
  644    HE2  LYS  87           2HE      LYS  87   4.570  -6.860 -18.291
  645    HE3  LYS  87           3HE      LYS  87   5.247  -5.471 -19.151
  646    HZ1  LYS  87           3HZ      LYS  87   7.466  -6.473 -18.739
  647    HZ2  LYS  87           1HZ      LYS  87   6.728  -7.771 -18.025
  648    HZ3  LYS  87           2HZ      LYS  87   6.502  -7.457 -19.618
  649    H    ILE  88           H        ILE  88   1.096  -4.169 -14.482
  650    HA   ILE  88           HA       ILE  88   0.251  -1.380 -14.240
  651    HB   ILE  88           HB       ILE  88   0.577  -3.631 -12.223
  652   HG12  ILE  88          2HG1      ILE  88  -1.975  -2.485 -13.414
  653   HG13  ILE  88          3HG1      ILE  88  -1.189  -3.959 -13.969
  654   HG21  ILE  88          1HG2      ILE  88  -0.765  -0.909 -11.829
  655   HG22  ILE  88          2HG2      ILE  88  -0.729  -2.226 -10.639
  656   HG23  ILE  88          3HG2      ILE  88   0.759  -1.417 -11.072
  657   HD11  ILE  88          3HD1      ILE  88  -1.466  -4.948 -11.681
  658   HD12  ILE  88          1HD1      ILE  88  -2.437  -3.523 -11.233
  659   HD13  ILE  88          2HD1      ILE  88  -2.986  -4.592 -12.525
  660    H    HIS  89           H        HIS  89   1.427   0.261 -12.965
  661    HA   HIS  89           HA       HIS  89   4.295  -0.370 -12.588
  662    HD1  HIS  89           HD1      HIS  89   6.235  -0.432 -14.513
  663    HD2  HIS  89           HD2      HIS  89   5.558   3.607 -13.495
  664    HE1  HIS  89           HE1      HIS  89   8.522   0.691 -14.436
  665    HB2  HIS  89           2HB      HIS  89   3.661   0.685 -14.869
  666    HB3  HIS  89           3HB      HIS  89   3.376   2.163 -13.947
  667    H    VAL  90           H        VAL  90   5.321   0.791 -10.993
  668    HA   VAL  90           HA       VAL  90   3.637   2.528  -9.255
  669    HB   VAL  90           HB       VAL  90   5.597   0.427  -8.272
  670   HG11  VAL  90          1HG1      VAL  90   3.212   1.803  -6.926
  671   HG12  VAL  90          2HG1      VAL  90   4.410   0.752  -6.143
  672   HG13  VAL  90          3HG1      VAL  90   4.889   2.334  -6.776
  673   HG21  VAL  90          3HG2      VAL  90   2.598   0.028  -8.674
  674   HG22  VAL  90          1HG2      VAL  90   3.915  -0.913  -9.405
  675   HG23  VAL  90          2HG2      VAL  90   3.634  -1.012  -7.669
  676    H    TYR  91           H        TYR  91   4.750   4.416  -8.635
  677    HA   TYR  91           HA       TYR  91   7.635   4.668  -8.711
  678    HD1  TYR  91           HD2      TYR  91   4.346   4.353 -11.082
  679    HD2  TYR  91           HD1      TYR  91   6.816   7.805 -11.810
  680    HE1  TYR  91           HE2      TYR  91   2.514   5.394 -12.267
  681    HE2  TYR  91           HE1      TYR  91   5.008   8.811 -13.167
  682    HH   TYR  91           HH       TYR  91   2.956   8.356 -14.228
  683    HB2  TYR  91           2HB      TYR  91   7.774   6.025 -10.717
  684    HB3  TYR  91           3HB      TYR  91   7.172   4.457 -11.149
  685    H    GLY  92           H        GLY  92   8.032   7.296  -8.975
  686    HA2  GLY  92           2HA      GLY  92   7.402   9.473  -8.462
  687    HA3  GLY  92           1HA      GLY  92   5.805   8.905  -7.956
  688    H    TYR  93           H        TYR  93   6.245  10.496  -6.146
  689    HA   TYR  93           HA       TYR  93   7.086   9.015  -3.826
  690    HD1  TYR  93           HD2      TYR  93   7.650  13.121  -3.527
  691    HD2  TYR  93           HD1      TYR  93  10.342  10.952  -6.109
  692    HE1  TYR  93           HE2      TYR  93   8.543  15.253  -4.365
  693    HE2  TYR  93           HE1      TYR  93  11.243  13.087  -6.960
  694    HH   TYR  93           HH       TYR  93  11.308  15.408  -6.652
  695    HB2  TYR  93           2HB      TYR  93   8.684  10.701  -3.010
  696    HB3  TYR  93           3HB      TYR  93   9.259   9.806  -4.388
  697    H    SER  94           H        SER  94   6.607  10.173  -1.823
  698    HA   SER  94           HA       SER  94   4.401  12.159  -2.029
  699    HG   SER  94           HG       SER  94   3.855  12.583   0.565
  700    HB2  SER  94           2HB      SER  94   3.890  10.450  -0.442
  701    HB3  SER  94           3HB      SER  94   5.562  10.345   0.109
  702    H    MET  95           H        MET  95   4.750  14.214  -0.719
  703    HA   MET  95           HA       MET  95   7.653  14.964  -0.780
  704    HB2  MET  95           2HB      MET  95   7.026  17.244  -0.724
  705    HB3  MET  95           3HB      MET  95   6.243  16.452  -2.093
  706    HG2  MET  95           2HG      MET  95   4.146  16.304  -0.799
  707    HG3  MET  95           3HG      MET  95   4.899  17.111   0.564
  708    HE1  MET  95           3HE      MET  95   5.646  19.651   0.596
  709    HE2  MET  95           1HE      MET  95   6.646  19.501  -0.870
  710    HE3  MET  95           2HE      MET  95   5.430  20.785  -0.755
  711    H    ALA  96           H        ALA  96   4.756  14.585   1.333
  712    HA   ALA  96           HA       ALA  96   6.177  15.613   3.663
  713    HB1  ALA  96           3HB      ALA  96   3.753  15.676   3.609
  714    HB2  ALA  96           1HB      ALA  96   3.673  13.914   3.387
  715    HB3  ALA  96           2HB      ALA  96   4.275  14.593   4.913
  716    H    TYR  97           H        TYR  97   5.964  12.465   2.056
  717    HA   TYR  97           HA       TYR  97   7.506  11.235   4.297
  718    HD1  TYR  97           HD2      TYR  97   5.820  10.550   6.255
  719    HD2  TYR  97           HD1      TYR  97   3.333  11.205   2.788
  720    HE1  TYR  97           HE2      TYR  97   4.025  11.454   7.705
  721    HE2  TYR  97           HE1      TYR  97   1.510  11.971   4.216
  722    HH   TYR  97           HH       TYR  97   0.833  12.490   6.417
  723    HB2  TYR  97           2HB      TYR  97   5.381   9.943   2.567
  724    HB3  TYR  97           3HB      TYR  97   6.166   9.282   3.986
  725    H    GLY  98           H        GLY  98   7.805  11.904   0.937
  726    HA2  GLY  98           2HA      GLY  98   9.614  11.389  -0.382
  727    HA3  GLY  98           1HA      GLY  98  10.227  10.317   0.875
  728    HA   PRO  99           HA       PRO  99   8.561   7.725  -2.680
  729    HB2  PRO  99           2HB      PRO  99  10.899   6.405  -3.303
  730    HB3  PRO  99           3HB      PRO  99  10.408   7.944  -4.053
  731    HG2  PRO  99           2HG      PRO  99  12.331   7.505  -1.763
  732    HG3  PRO  99           3HG      PRO  99  12.506   8.602  -3.168
  733    HD2  PRO  99           2HD      PRO  99  11.679   9.463  -0.702
  734    HD3  PRO  99           3HD      PRO  99  11.070  10.200  -2.213
  735    H    ALA 100           H        ALA 100   7.777   5.736  -2.237
  736    HA   ALA 100           HA       ALA 100   8.458   4.297   0.221
  737    HB1  ALA 100           3HB      ALA 100   6.142   4.360  -0.647
  738    HB2  ALA 100           1HB      ALA 100   6.708   3.718  -2.198
  739    HB3  ALA 100           2HB      ALA 100   6.765   2.700  -0.744
  740    H    GLN 101           H        GLN 101   8.898   1.880   0.017
  741    HA   GLN 101           HA       GLN 101  11.036   1.282  -1.928
  742    HB2  GLN 101           2HB      GLN 101   9.730  -0.394   0.252
  743    HB3  GLN 101           3HB      GLN 101  11.013  -0.972  -0.808
  744    HG2  GLN 101           2HG      GLN 101  11.315   1.327   1.160
  745    HG3  GLN 101           3HG      GLN 101  11.711  -0.368   1.460
  746   HE21  GLN 101          2HE2      GLN 101  13.933  -0.323   1.705
  747   HE22  GLN 101          1HE2      GLN 101  15.033   0.259   0.482
  748    H    HIS 102           H        HIS 102   9.622   1.674  -3.764
  749    HA   HIS 102           HA       HIS 102   7.239   0.378  -4.291
  750    HD1  HIS 102           HD1      HIS 102   9.772   3.845  -5.812
  751    HD2  HIS 102           HD2      HIS 102   5.972   2.354  -4.766
  752    HE1  HIS 102           HE1      HIS 102   8.461   5.773  -4.816
  753    HB2  HIS 102           2HB      HIS 102   9.405   1.209  -6.249
  754    HB3  HIS 102           3HB      HIS 102   7.721   0.865  -6.666
  755    H    ALA 103           H        ALA 103  10.358  -1.089  -4.250
  756    HA   ALA 103           HA       ALA 103  10.024  -3.446  -5.751
  757    HB1  ALA 103           3HB      ALA 103  12.142  -2.738  -4.681
  758    HB2  ALA 103           1HB      ALA 103  11.421  -2.923  -3.064
  759    HB3  ALA 103           2HB      ALA 103  11.680  -4.349  -4.096
  760    H    ILE 104           H        ILE 104   8.911  -2.650  -2.398
  761    HA   ILE 104           HA       ILE 104   8.005  -5.331  -1.816
  762    HB   ILE 104           HB       ILE 104   7.259  -2.640  -0.586
  763   HG12  ILE 104          2HG1      ILE 104   9.368  -4.667   0.302
  764   HG13  ILE 104          3HG1      ILE 104   9.704  -3.118  -0.470
  765   HG21  ILE 104          1HG2      ILE 104   6.938  -5.456   0.556
  766   HG22  ILE 104          2HG2      ILE 104   6.501  -3.936   1.373
  767   HG23  ILE 104          3HG2      ILE 104   5.622  -4.433  -0.060
  768   HD11  ILE 104          3HD1      ILE 104   8.521  -1.974   1.444
  769   HD12  ILE 104          1HD1      ILE 104   8.539  -3.541   2.291
  770   HD13  ILE 104          2HD1      ILE 104  10.063  -2.767   1.828
  771    H    SER 105           H        SER 105   6.466  -2.286  -3.007
  772    HA   SER 105           HA       SER 105   3.840  -3.146  -3.112
  773    HG   SER 105           HG       SER 105   4.925   0.301  -3.617
  774    HB2  SER 105           2HB      SER 105   4.966  -1.372  -5.274
  775    HB3  SER 105           3HB      SER 105   3.448  -1.228  -4.368
  776    H    THR 106           H        THR 106   6.386  -3.425  -5.749
  777    HA   THR 106           HA       THR 106   4.492  -4.509  -7.566
  778    HB   THR 106           HB       THR 106   6.584  -5.310  -8.790
  779    HG1  THR 106           1HG      THR 106   8.468  -5.027  -7.874
  780   HG21  THR 106          3HG2      THR 106   5.385  -3.165  -9.139
  781   HG22  THR 106          1HG2      THR 106   6.454  -2.378  -7.965
  782   HG23  THR 106          2HG2      THR 106   7.120  -3.062  -9.469
  783    H    GLU 107           H        GLU 107   6.853  -6.207  -5.389
  784    HA   GLU 107           HA       GLU 107   6.125  -8.769  -6.333
  785    HB2  GLU 107           2HB      GLU 107   7.155  -7.901  -3.605
  786    HB3  GLU 107           3HB      GLU 107   7.026  -9.583  -4.127
  787    HG2  GLU 107           2HG      GLU 107   8.742  -7.439  -5.461
  788    HG3  GLU 107           3HG      GLU 107   9.321  -8.714  -4.401
  789    H    LYS 108           H        LYS 108   4.599  -6.779  -3.756
  790    HA   LYS 108           HA       LYS 108   2.708  -8.833  -3.017
  791    HB2  LYS 108           2HB      LYS 108   2.734  -5.811  -2.639
  792    HB3  LYS 108           3HB      LYS 108   1.458  -6.871  -2.020
  793    HG2  LYS 108           2HG      LYS 108   3.052  -8.147  -0.689
  794    HG3  LYS 108           3HG      LYS 108   4.392  -7.163  -1.285
  795    HD2  LYS 108           2HD      LYS 108   3.451  -5.155  -0.278
  796    HD3  LYS 108           3HD      LYS 108   2.008  -6.024   0.262
  797    HE2  LYS 108           2HE      LYS 108   4.758  -6.999   1.079
  798    HE3  LYS 108           3HE      LYS 108   4.052  -5.607   1.910
  799    HZ1  LYS 108           3HZ      LYS 108   2.376  -6.880   2.799
  800    HZ2  LYS 108           1HZ      LYS 108   2.413  -8.024   1.654
  801    HZ3  LYS 108           2HZ      LYS 108   3.595  -7.978   2.809
  802    H    ILE 109           H        ILE 109   2.431  -6.024  -5.309
  803    HA   ILE 109           HA       ILE 109  -0.312  -6.610  -5.897
  804    HB   ILE 109           HB       ILE 109   1.734  -5.000  -7.477
  805   HG12  ILE 109          2HG1      ILE 109  -0.537  -3.931  -5.726
  806   HG13  ILE 109          3HG1      ILE 109   1.049  -4.226  -5.060
  807   HG21  ILE 109          1HG2      ILE 109  -1.331  -4.925  -7.675
  808   HG22  ILE 109          2HG2      ILE 109  -0.181  -3.993  -8.656
  809   HG23  ILE 109          3HG2      ILE 109  -0.308  -5.733  -8.860
  810   HD11  ILE 109          3HD1      ILE 109   2.051  -2.677  -6.754
  811   HD12  ILE 109          1HD1      ILE 109   0.410  -2.282  -7.317
  812   HD13  ILE 109          2HD1      ILE 109   0.895  -1.894  -5.663
  813    H    LYS 110           H        LYS 110   2.778  -7.710  -7.437
  814    HA   LYS 110           HA       LYS 110   1.608  -9.167  -9.597
  815    HB2  LYS 110           2HB      LYS 110   4.069  -9.749  -7.898
  816    HB3  LYS 110           3HB      LYS 110   3.630 -10.684  -9.321
  817    HG2  LYS 110           2HG      LYS 110   4.052  -8.864 -10.816
  818    HG3  LYS 110           3HG      LYS 110   4.244  -7.713  -9.485
  819    HD2  LYS 110           2HD      LYS 110   6.152  -9.052  -8.612
  820    HD3  LYS 110           3HD      LYS 110   6.011 -10.146  -9.999
  821    HE2  LYS 110           2HE      LYS 110   6.560  -8.268 -11.524
  822    HE3  LYS 110           3HE      LYS 110   6.611  -7.161 -10.149
  823    HZ1  LYS 110           3HZ      LYS 110   8.426  -8.567  -9.227
  824    HZ2  LYS 110           1HZ      LYS 110   8.446  -9.434 -10.616
  825    HZ3  LYS 110           2HZ      LYS 110   8.828  -7.848 -10.657
  826    H    ALA 111           H        ALA 111   2.332 -10.191  -6.190
  827    HA   ALA 111           HA       ALA 111   1.297 -12.812  -6.504
  828    HB1  ALA 111           3HB      ALA 111   2.764 -12.123  -4.640
  829    HB2  ALA 111           1HB      ALA 111   1.463 -11.104  -3.980
  830    HB3  ALA 111           2HB      ALA 111   1.266 -12.866  -4.047
  831    H    LYS 112           H        LYS 112  -0.349  -9.744  -5.623
  832    HA   LYS 112           HA       LYS 112  -2.856 -10.968  -4.988
  833    HB2  LYS 112           2HB      LYS 112  -2.008  -8.601  -4.380
  834    HB3  LYS 112           3HB      LYS 112  -2.427  -8.137  -6.029
  835    HG2  LYS 112           2HG      LYS 112  -4.272  -7.488  -4.728
  836    HG3  LYS 112           3HG      LYS 112  -4.811  -8.964  -5.519
  837    HD2  LYS 112           2HD      LYS 112  -4.240 -10.229  -3.377
  838    HD3  LYS 112           3HD      LYS 112  -3.817  -8.678  -2.644
  839    HE2  LYS 112           2HE      LYS 112  -6.281  -8.038  -3.589
  840    HE3  LYS 112           3HE      LYS 112  -6.500  -9.786  -3.456
  841    HZ1  LYS 112           3HZ      LYS 112  -5.769  -9.512  -1.078
  842    HZ2  LYS 112           1HZ      LYS 112  -5.863  -7.868  -1.295
  843    HZ3  LYS 112           2HZ      LYS 112  -7.190  -8.800  -1.437
  844    H    TYR 113           H        TYR 113  -1.481  -9.758  -8.059
  845    HA   TYR 113           HA       TYR 113  -3.863 -10.803  -9.524
  846    HD1  TYR 113           HD2      TYR 113  -5.834  -9.542  -9.926
  847    HD2  TYR 113           HD1      TYR 113  -3.053  -6.452  -8.764
  848    HE1  TYR 113           HE2      TYR 113  -7.691  -8.258  -8.917
  849    HE2  TYR 113           HE1      TYR 113  -4.907  -5.151  -7.768
  850    HH   TYR 113           HH       TYR 113  -7.210  -5.045  -7.380
  851    HB2  TYR 113           2HB      TYR 113  -2.265  -8.271 -10.025
  852    HB3  TYR 113           3HB      TYR 113  -3.450  -8.942 -11.135
  853    HA   PRO 114           HA       PRO 114   0.122 -12.775 -10.896
  854    HB2  PRO 114           2HB      PRO 114  -0.669 -15.405 -10.930
  855    HB3  PRO 114           3HB      PRO 114  -0.123 -14.555  -9.452
  856    HG2  PRO 114           2HG      PRO 114  -2.973 -15.007 -10.394
  857    HG3  PRO 114           3HG      PRO 114  -2.285 -15.311  -8.765
  858    HD2  PRO 114           2HD      PRO 114  -3.641 -13.025  -9.339
  859    HD3  PRO 114           3HD      PRO 114  -2.210 -13.008  -8.268
  860    H    ASP 115           H        ASP 115  -3.134 -12.714 -12.142
  861    HA   ASP 115           HA       ASP 115  -2.662 -13.881 -14.726
  862    HB2  ASP 115           2HB      ASP 115  -4.903 -13.506 -13.704
  863    HB3  ASP 115           3HB      ASP 115  -4.660 -11.762 -13.840
  864    H    TYR 116           H        TYR 116  -1.657 -10.890 -13.280
  865    HA   TYR 116           HA       TYR 116  -0.973  -9.625 -15.901
  866    HD1  TYR 116           HD2      TYR 116  -3.638  -9.767 -15.794
  867    HD2  TYR 116           HD1      TYR 116  -2.476  -5.763 -14.692
  868    HE1  TYR 116           HE2      TYR 116  -5.542  -8.878 -17.056
  869    HE2  TYR 116           HE1      TYR 116  -4.397  -4.859 -15.944
  870    HH   TYR 116           HH       TYR 116  -6.273  -5.361 -17.246
  871    HB2  TYR 116           2HB      TYR 116  -2.046  -8.494 -13.297
  872    HB3  TYR 116           3HB      TYR 116  -1.000  -7.522 -14.289
  873    H    GLU 117           H        GLU 117   0.841  -7.812 -15.103
  874    HA   GLU 117           HA       GLU 117   2.763  -8.968 -13.226
  875    HB2  GLU 117           2HB      GLU 117   3.437  -9.887 -15.408
  876    HB3  GLU 117           3HB      GLU 117   3.492  -8.270 -16.108
  877    HG2  GLU 117           2HG      GLU 117   5.359  -7.647 -14.698
  878    HG3  GLU 117           3HG      GLU 117   5.170  -9.095 -13.700
  879    H    VAL 118           H        VAL 118   4.406  -7.212 -12.682
  880    HA   VAL 118           HA       VAL 118   3.271  -4.516 -12.926
  881    HB   VAL 118           HB       VAL 118   4.080  -5.632 -10.235
  882   HG11  VAL 118          1HG1      VAL 118   2.111  -3.398 -10.790
  883   HG12  VAL 118          2HG1      VAL 118   2.925  -3.792  -9.280
  884   HG13  VAL 118          3HG1      VAL 118   3.831  -3.111 -10.647
  885   HG21  VAL 118          3HG2      VAL 118   1.215  -5.667 -11.274
  886   HG22  VAL 118          1HG2      VAL 118   2.202  -7.093 -10.898
  887   HG23  VAL 118          2HG2      VAL 118   1.757  -5.997  -9.612
  888    H    THR 119           H        THR 119   4.953  -2.926 -12.769
  889    HA   THR 119           HA       THR 119   7.686  -3.835 -12.037
  890    HB   THR 119           HB       THR 119   8.457  -2.388 -14.020
  891    HG1  THR 119           1HG      THR 119   6.909  -2.322 -15.737
  892   HG21  THR 119          3HG2      THR 119   8.664  -4.825 -14.021
  893   HG22  THR 119          1HG2      THR 119   6.992  -5.000 -14.574
  894   HG23  THR 119          2HG2      THR 119   8.213  -4.246 -15.631
  895    H    TRP 120           H        TRP 120   9.161  -1.801 -11.837
  896    HA   TRP 120           HA       TRP 120   7.705   0.628 -11.165
  897    HD1  TRP 120           HD1      TRP 120   9.330  -2.861  -9.007
  898    HE1  TRP 120           HE1      TRP 120  11.593  -3.315  -7.940
  899    HE3  TRP 120           HE3      TRP 120  10.925   2.008  -8.410
  900    HZ2  TRP 120           HZ2      TRP 120  13.780  -1.779  -6.830
  901    HZ3  TRP 120           HZ3      TRP 120  13.077   2.438  -7.271
  902    HH2  TRP 120           HH2      TRP 120  14.510   0.580  -6.488
  903    HB2  TRP 120           2HB      TRP 120   8.681   0.920  -9.005
  904    HB3  TRP 120           3HB      TRP 120   7.773  -0.576  -9.001
  905    H    ALA 121           H        ALA 121   9.152   2.449 -11.159
  906    HA   ALA 121           HA       ALA 121  12.000   2.137 -11.565
  907    HB1  ALA 121           3HB      ALA 121  11.255   1.894 -13.932
  908    HB2  ALA 121           1HB      ALA 121  10.274   3.370 -13.784
  909    HB3  ALA 121           2HB      ALA 121  12.044   3.462 -13.681
  910    H    ASN 122           H        ASN 122  12.724   3.774 -10.196
  911    HA   ASN 122           HA       ASN 122  10.679   5.497  -9.160
  912    HB2  ASN 122           2HB      ASN 122  12.873   4.445  -8.006
  913    HB3  ASN 122           3HB      ASN 122  13.489   6.060  -8.328
  914   HD21  ASN 122          2HD2      ASN 122  11.727   7.866  -7.747
  915   HD22  ASN 122          1HD2      ASN 122  10.858   7.617  -6.239
  916    H    ASP 123           H        ASP 123  12.332   5.840 -11.962
  917    HA   ASP 123           HA       ASP 123  13.507   8.398 -12.018
  918    HB2  ASP 123           2HB      ASP 123  13.890   6.715 -13.734
  919    HB3  ASP 123           3HB      ASP 123  12.180   6.704 -14.168
  920    H    GLY 124           H        GLY 124  10.122   7.436 -12.356
  921    HA2  GLY 124           2HA      GLY 124   9.282   9.950 -13.574
  922    HA3  GLY 124           1HA      GLY 124   8.265   8.594 -13.133
  923    H    TYR 125           H        TYR 125   6.883  10.523 -12.480
  924    HA   TYR 125           HA       TYR 125   7.511  11.553  -9.751
  925    HD1  TYR 125           HD1      TYR 125   9.484  13.573 -10.189
  926    HD2  TYR 125           HD2      TYR 125   5.373  14.894 -10.133
  927    HE1  TYR 125           HE1      TYR 125  10.110  15.427  -8.689
  928    HE2  TYR 125           HE2      TYR 125   5.986  16.738  -8.593
  929    HH   TYR 125           HH       TYR 125   9.356  17.247  -7.447
  930    HB2  TYR 125           2HB      TYR 125   7.862  13.019 -12.000
  931    HB3  TYR 125           3HB      TYR 125   6.143  13.278 -11.799
  Start of MODEL    2
    1    HA   MET   1           HA       MET   1 -14.844 -11.372  17.450
    2    H1   MET   1           H1       MET   1 -15.659 -12.245  20.089
    3    H2   MET   1           H2       MET   1 -15.649 -13.066  18.680
    4    H3   MET   1           H3       MET   1 -16.804 -11.934  18.944
    5    HB2  MET   1           2HB      MET   1 -14.853  -9.037  18.071
    6    HB3  MET   1           3HB      MET   1 -16.482  -9.692  18.110
    7    HG2  MET   1           2HG      MET   1 -16.390  -9.791  20.593
    8    HG3  MET   1           3HG      MET   1 -14.723  -9.215  20.553
    9    HE1  MET   1           3HE      MET   1 -17.980  -7.953  18.523
   10    HE2  MET   1           1HE      MET   1 -18.510  -8.313  20.184
   11    HE3  MET   1           2HE      MET   1 -18.464  -6.634  19.605
   12    H    ALA   2           H        ALA   2 -12.669 -10.386  17.504
   13    HA   ALA   2           HA       ALA   2 -11.118 -10.513  19.961
   14    HB1  ALA   2           3HB      ALA   2 -10.918 -12.860  19.153
   15    HB2  ALA   2           1HB      ALA   2 -10.398 -12.267  17.558
   16    HB3  ALA   2           2HB      ALA   2  -9.381 -11.997  18.987
   17    H    VAL   3           H        VAL   3  -8.882  -9.609  19.490
   18    HA   VAL   3           HA       VAL   3  -8.977  -7.326  17.737
   19    HB   VAL   3           HB       VAL   3  -6.685  -7.003  18.507
   20   HG11  VAL   3          1HG1      VAL   3  -8.565  -7.698  20.795
   21   HG12  VAL   3          2HG1      VAL   3  -7.157  -6.633  20.876
   22   HG13  VAL   3          3HG1      VAL   3  -8.541  -6.180  19.872
   23   HG21  VAL   3          3HG2      VAL   3  -6.934  -9.570  20.133
   24   HG22  VAL   3          1HG2      VAL   3  -5.956  -9.395  18.659
   25   HG23  VAL   3          2HG2      VAL   3  -5.563  -8.444  20.084
   26    H    ALA   4           H        ALA   4  -6.996  -6.974  16.203
   27    HA   ALA   4           HA       ALA   4  -7.188  -9.029  14.141
   28    HB1  ALA   4           3HB      ALA   4  -7.193  -6.669  13.565
   29    HB2  ALA   4           1HB      ALA   4  -5.580  -6.441  14.300
   30    HB3  ALA   4           2HB      ALA   4  -5.780  -7.446  12.849
   31    H    ASP   5           H        ASP   5  -5.062  -9.548  12.964
   32    HA   ASP   5           HA       ASP   5  -2.644  -9.818  14.555
   33    HB2  ASP   5           2HB      ASP   5  -3.707 -11.989  15.039
   34    HB3  ASP   5           3HB      ASP   5  -4.058 -12.233  13.326
   35    H    LEU   6           H        LEU   6  -0.866  -9.765  13.069
   36    HA   LEU   6           HA       LEU   6  -1.328  -8.229  10.805
   37    HG   LEU   6           HG       LEU   6   0.747  -8.286  13.238
   38    HB2  LEU   6           2HB      LEU   6   1.073  -9.982  11.474
   39    HB3  LEU   6           3HB      LEU   6   1.042  -8.734  10.241
   40   HD11  LEU   6          1HD1      LEU   6   2.961  -7.510  11.294
   41   HD12  LEU   6          2HD1      LEU   6   2.918  -7.170  13.031
   42   HD13  LEU   6          3HD1      LEU   6   3.034  -8.838  12.473
   43   HD21  LEU   6          3HD2      LEU   6   0.696  -6.276  10.943
   44   HD22  LEU   6          1HD2      LEU   6  -0.597  -6.596  12.125
   45   HD23  LEU   6          2HD2      LEU   6   0.903  -5.853  12.656
   46    H    ALA   7           H        ALA   7  -1.191 -11.799  10.963
   47    HA   ALA   7           HA       ALA   7  -0.767 -12.171   8.172
   48    HB1  ALA   7           3HB      ALA   7  -0.329 -13.915   9.874
   49    HB2  ALA   7           1HB      ALA   7  -2.076 -14.025  10.206
   50    HB3  ALA   7           2HB      ALA   7  -1.440 -14.492   8.617
   51    H    LEU   8           H        LEU   8  -3.629 -11.329  10.030
   52    HA   LEU   8           HA       LEU   8  -5.545 -12.395   8.083
   53    HG   LEU   8           HG       LEU   8  -5.124 -12.732  11.236
   54    HB2  LEU   8           2HB      LEU   8  -5.939 -10.506  10.443
   55    HB3  LEU   8           3HB      LEU   8  -7.216 -11.302   9.537
   56   HD11  LEU   8          1HD1      LEU   8  -8.083 -12.216  11.751
   57   HD12  LEU   8          2HD1      LEU   8  -6.985 -13.162  12.781
   58   HD13  LEU   8          3HD1      LEU   8  -6.723 -11.426  12.578
   59   HD21  LEU   8          3HD2      LEU   8  -7.568 -13.824   9.771
   60   HD22  LEU   8          1HD2      LEU   8  -5.866 -14.193   9.413
   61   HD23  LEU   8          2HD2      LEU   8  -6.576 -14.729  10.936
   62    H    ILE   9           H        ILE   9  -3.791  -9.399   8.557
   63    HA   ILE   9           HA       ILE   9  -5.783  -7.642   7.564
   64    HB   ILE   9           HB       ILE   9  -2.784  -7.203   7.648
   65   HG12  ILE   9          2HG1      ILE   9  -4.914  -6.652   9.782
   66   HG13  ILE   9          3HG1      ILE   9  -3.689  -7.918   9.866
   67   HG21  ILE   9          1HG2      ILE   9  -5.082  -5.212   7.642
   68   HG22  ILE   9          2HG2      ILE   9  -3.355  -4.803   7.770
   69   HG23  ILE   9          3HG2      ILE   9  -3.962  -5.528   6.293
   70   HD11  ILE   9          3HD1      ILE   9  -1.911  -6.130   9.791
   71   HD12  ILE   9          1HD1      ILE   9  -3.222  -4.948  10.050
   72   HD13  ILE   9          2HD1      ILE   9  -2.920  -6.209  11.251
   73    HA   PRO  10           HA       PRO  10  -5.489  -8.461   3.116
   74    HB2  PRO  10           2HB      PRO  10  -6.198  -5.519   3.135
   75    HB3  PRO  10           3HB      PRO  10  -6.801  -6.807   2.042
   76    HG2  PRO  10           2HG      PRO  10  -8.300  -6.019   4.147
   77    HG3  PRO  10           3HG      PRO  10  -8.102  -7.774   3.821
   78    HD2  PRO  10           2HD      PRO  10  -6.674  -6.065   5.863
   79    HD3  PRO  10           3HD      PRO  10  -7.330  -7.721   6.026
   80    H    ASP  11           H        ASP  11  -3.622  -8.629   2.128
   81    HA   ASP  11           HA       ASP  11  -1.256  -7.166   2.686
   82    HB2  ASP  11           2HB      ASP  11  -1.414  -9.513   1.905
   83    HB3  ASP  11           3HB      ASP  11  -2.042  -8.963   0.351
   84    H    VAL  12           H        VAL  12  -3.704  -6.850   0.124
   85    HA   VAL  12           HA       VAL  12  -2.673  -4.201  -0.622
   86    HB   VAL  12           HB       VAL  12  -3.364  -6.382  -2.636
   87   HG11  VAL  12          1HG1      VAL  12  -2.338  -3.547  -3.101
   88   HG12  VAL  12          2HG1      VAL  12  -2.601  -4.778  -4.358
   89   HG13  VAL  12          3HG1      VAL  12  -3.973  -4.144  -3.458
   90   HG21  VAL  12          3HG2      VAL  12  -0.624  -5.242  -2.001
   91   HG22  VAL  12          1HG2      VAL  12  -1.168  -6.919  -1.803
   92   HG23  VAL  12          2HG2      VAL  12  -1.011  -6.241  -3.417
   93    H    ASP  13           H        ASP  13  -4.438  -2.830  -0.919
   94    HA   ASP  13           HA       ASP  13  -6.998  -3.861  -1.860
   95    HB2  ASP  13           2HB      ASP  13  -7.447  -4.161   0.502
   96    HB3  ASP  13           3HB      ASP  13  -6.771  -2.581   0.892
   97    H    ILE  14           H        ILE  14  -7.350  -2.425  -3.519
   98    HA   ILE  14           HA       ILE  14  -6.573   0.392  -3.164
   99    HB   ILE  14           HB       ILE  14  -5.328   0.358  -5.308
  100   HG12  ILE  14          2HG1      ILE  14  -5.466  -2.686  -5.136
  101   HG13  ILE  14          3HG1      ILE  14  -6.329  -1.685  -6.306
  102   HG21  ILE  14          1HG2      ILE  14  -4.054  -1.567  -3.325
  103   HG22  ILE  14          2HG2      ILE  14  -3.241  -0.442  -4.435
  104   HG23  ILE  14          3HG2      ILE  14  -4.179   0.182  -3.084
  105   HD11  ILE  14          3HD1      ILE  14  -4.126  -0.860  -7.179
  106   HD12  ILE  14          1HD1      ILE  14  -3.313  -2.027  -6.105
  107   HD13  ILE  14          2HD1      ILE  14  -4.391  -2.603  -7.382
  108    H    ASP  15           H        ASP  15  -7.385   1.796  -4.789
  109    HA   ASP  15           HA       ASP  15  -9.200   0.763  -6.832
  110    HB2  ASP  15           2HB      ASP  15 -10.716   1.122  -4.850
  111    HB3  ASP  15           3HB      ASP  15 -10.271   2.835  -4.883
  112    H    SER  16           H        SER  16  -6.657   1.782  -7.016
  113    HA   SER  16           HA       SER  16  -6.705   4.537  -7.928
  114    HG   SER  16           HG       SER  16  -3.597   3.529  -6.691
  115    HB2  SER  16           2HB      SER  16  -4.675   2.313  -8.394
  116    HB3  SER  16           3HB      SER  16  -4.445   4.046  -8.716
  117    H    ASP  17           H        ASP  17  -8.769   4.061  -9.110
  118    HA   ASP  17           HA       ASP  17  -8.785   2.475 -11.510
  119    HB2  ASP  17           2HB      ASP  17 -10.749   2.933 -10.055
  120    HB3  ASP  17           3HB      ASP  17 -10.703   4.628 -10.540
  121    H    GLY  18           H        GLY  18  -6.593   4.246 -11.613
  122    HA2  GLY  18           2HA      GLY  18  -6.372   5.434 -14.049
  123    HA3  GLY  18           1HA      GLY  18  -7.132   6.693 -13.047
  124    H    VAL  19           H        VAL  19  -4.819   7.617 -13.634
  125    HA   VAL  19           HA       VAL  19  -2.626   6.627 -12.025
  126    HB   VAL  19           HB       VAL  19  -2.930   9.310 -13.420
  127   HG11  VAL  19          1HG1      VAL  19  -0.460   7.846 -12.366
  128   HG12  VAL  19          2HG1      VAL  19  -0.459   9.371 -13.287
  129   HG13  VAL  19          3HG1      VAL  19  -1.167   9.322 -11.672
  130   HG21  VAL  19          3HG2      VAL  19  -1.636   6.708 -14.359
  131   HG22  VAL  19          1HG2      VAL  19  -3.061   7.493 -15.072
  132   HG23  VAL  19          2HG2      VAL  19  -1.487   8.279 -15.179
  133    H    PHE  20           H        PHE  20  -3.112   6.517  -9.885
  134    HA   PHE  20           HA       PHE  20  -3.701   9.031  -8.443
  135    HD1  PHE  20           HD2      PHE  20  -5.993  10.141  -8.191
  136    HD2  PHE  20           HD1      PHE  20  -6.877   6.249  -9.822
  137    HE1  PHE  20           HE2      PHE  20  -7.827  11.121  -9.543
  138    HE2  PHE  20           HE1      PHE  20  -8.719   7.234 -11.167
  139    HZ   PHE  20           HZ       PHE  20  -9.189   9.670 -11.037
  140    HB2  PHE  20           2HB      PHE  20  -5.260   6.436  -8.100
  141    HB3  PHE  20           3HB      PHE  20  -5.372   7.830  -7.039
  142    H    LYS  21           H        LYS  21  -3.304   8.833  -6.157
  143    HA   LYS  21           HA       LYS  21  -0.676   7.772  -5.772
  144    HB2  LYS  21           2HB      LYS  21  -2.724   9.179  -3.987
  145    HB3  LYS  21           3HB      LYS  21  -1.148   8.701  -3.390
  146    HG2  LYS  21           2HG      LYS  21  -0.011  10.125  -5.033
  147    HG3  LYS  21           3HG      LYS  21  -1.565  10.579  -5.755
  148    HD2  LYS  21           2HD      LYS  21  -2.292  11.637  -3.696
  149    HD3  LYS  21           3HD      LYS  21  -0.845  11.105  -2.838
  150    HE2  LYS  21           2HE      LYS  21  -0.330  12.648  -5.331
  151    HE3  LYS  21           3HE      LYS  21  -1.188  13.561  -4.092
  152    HZ1  LYS  21           3HZ      LYS  21   0.600  13.339  -2.583
  153    HZ2  LYS  21           1HZ      LYS  21   1.291  12.124  -3.387
  154    HZ3  LYS  21           2HZ      LYS  21   1.318  13.650  -4.013
  155    H    TYR  22           H        TYR  22   0.053   6.410  -4.118
  156    HA   TYR  22           HA       TYR  22  -1.795   4.832  -2.530
  157    HD1  TYR  22           HD2      TYR  22   1.542   4.263  -5.271
  158    HD2  TYR  22           HD1      TYR  22   0.218   1.630  -2.125
  159    HE1  TYR  22           HE2      TYR  22   3.899   3.705  -4.739
  160    HE2  TYR  22           HE1      TYR  22   2.556   1.045  -1.605
  161    HH   TYR  22           HH       TYR  22   4.762   1.548  -2.001
  162    HB2  TYR  22           2HB      TYR  22  -1.344   2.787  -3.422
  163    HB3  TYR  22           3HB      TYR  22  -0.940   3.667  -4.880
  164    H    VAL  23           H        VAL  23  -0.511   3.760  -0.726
  165    HA   VAL  23           HA       VAL  23   2.171   4.921  -0.265
  166    HB   VAL  23           HB       VAL  23   1.621   5.107   2.172
  167   HG11  VAL  23          1HG1      VAL  23   0.047   6.974   0.387
  168   HG12  VAL  23          2HG1      VAL  23   0.617   7.320   2.032
  169   HG13  VAL  23          3HG1      VAL  23   1.788   7.091   0.723
  170   HG21  VAL  23          3HG2      VAL  23  -1.271   4.886   1.232
  171   HG22  VAL  23          1HG2      VAL  23  -0.426   3.771   2.305
  172   HG23  VAL  23          2HG2      VAL  23  -0.751   5.436   2.832
  173    H    LEU  24           H        LEU  24   3.501   3.679   1.043
  174    HA   LEU  24           HA       LEU  24   2.808   0.781   1.234
  175    HG   LEU  24           HG       LEU  24   6.526   0.043   0.978
  176    HB2  LEU  24           2HB      LEU  24   4.929   1.710  -0.033
  177    HB3  LEU  24           3HB      LEU  24   5.548   2.093   1.548
  178   HD11  LEU  24          1HD1      LEU  24   4.151  -0.976   2.579
  179   HD12  LEU  24          2HD1      LEU  24   5.807  -1.599   2.527
  180   HD13  LEU  24          3HD1      LEU  24   5.490  -0.036   3.289
  181   HD21  LEU  24          3HD2      LEU  24   3.795  -0.885   0.020
  182   HD22  LEU  24          1HD2      LEU  24   5.238  -0.510  -0.956
  183   HD23  LEU  24          2HD2      LEU  24   5.235  -1.913   0.109
  184    H    ILE  25           H        ILE  25   2.206   0.255   3.359
  185    HA   ILE  25           HA       ILE  25   3.209   2.031   5.549
  186    HB   ILE  25           HB       ILE  25   0.411   0.995   5.046
  187   HG12  ILE  25          2HG1      ILE  25   1.580   3.742   5.694
  188   HG13  ILE  25          3HG1      ILE  25   1.069   3.194   4.098
  189   HG21  ILE  25          1HG2      ILE  25   1.499   2.086   7.675
  190   HG22  ILE  25          2HG2      ILE  25  -0.212   1.745   7.327
  191   HG23  ILE  25          3HG2      ILE  25   0.929   0.425   7.390
  192   HD11  ILE  25          3HD1      ILE  25  -1.272   2.941   5.023
  193   HD12  ILE  25          1HD1      ILE  25  -0.694   3.765   6.506
  194   HD13  ILE  25          2HD1      ILE  25  -0.645   4.597   4.955
  195    H    ARG  26           H        ARG  26   4.212   1.073   7.106
  196    HA   ARG  26           HA       ARG  26   4.431  -1.877   7.219
  197    HE   ARG  26           HE       ARG  26   7.954  -2.909   7.812
  198    HB2  ARG  26           2HB      ARG  26   6.471  -0.519   7.451
  199    HB3  ARG  26           3HB      ARG  26   5.770   0.387   8.789
  200    HG2  ARG  26           2HG      ARG  26   5.831  -1.468  10.262
  201    HG3  ARG  26           3HG      ARG  26   6.036  -2.642   8.957
  202    HD2  ARG  26           2HD      ARG  26   8.135  -0.534   9.580
  203    HD3  ARG  26           3HD      ARG  26   8.107  -2.132  10.357
  204   HH11  ARG  26          1HH2      ARG  26  10.241  -0.566   9.235
  205   HH12  ARG  26          2HH2      ARG  26  11.475  -0.924   8.085
  206   HH21  ARG  26          1HH1      ARG  26   9.450  -3.376   6.433
  207   HH22  ARG  26          2HH1      ARG  26  11.032  -2.613   6.392
  208    H    VAL  27           H        VAL  27   3.676  -2.972   9.054
  209    HA   VAL  27           HA       VAL  27   1.822  -1.570  10.890
  210    HB   VAL  27           HB       VAL  27   1.318  -4.298   9.631
  211   HG11  VAL  27          1HG1      VAL  27  -0.557  -2.288  10.947
  212   HG12  VAL  27          2HG1      VAL  27  -0.997  -3.895  10.347
  213   HG13  VAL  27          3HG1      VAL  27   0.102  -3.744  11.724
  214   HG21  VAL  27          3HG2      VAL  27   0.216  -1.668   8.569
  215   HG22  VAL  27          1HG2      VAL  27   1.270  -2.810   7.699
  216   HG23  VAL  27          2HG2      VAL  27  -0.368  -3.288   8.125
  217    H    HIS  28           H        HIS  28   1.971  -2.488  13.012
  218    HA   HIS  28           HA       HIS  28   4.097  -4.566  13.441
  219    HD1  HIS  28           HD1      HIS  28   6.627  -3.221  13.388
  220    HD2  HIS  28           HD2      HIS  28   4.014   0.016  14.056
  221    HE1  HIS  28           HE1      HIS  28   7.776  -1.151  12.441
  222    HB2  HIS  28           2HB      HIS  28   3.324  -2.207  15.207
  223    HB3  HIS  28           3HB      HIS  28   4.635  -3.349  15.487
  224    H    SER  29           H        SER  29   3.712  -6.027  15.201
  225    HA   SER  29           HA       SER  29   1.055  -6.753  15.794
  226    HG   SER  29           HG       SER  29   2.927  -9.465  15.574
  227    HB2  SER  29           2HB      SER  29   3.661  -7.597  17.108
  228    HB3  SER  29           3HB      SER  29   2.101  -8.434  17.245
  229    H    ALA  30           H        ALA  30   0.984  -4.144  16.612
  230    HA   ALA  30           HA       ALA  30   1.113  -4.007  19.519
  231    HB1  ALA  30           3HB      ALA  30   1.557  -2.033  18.093
  232    HB2  ALA  30           1HB      ALA  30  -0.128  -2.089  17.522
  233    HB3  ALA  30           2HB      ALA  30   0.223  -1.761  19.225
  234    HA   PRO  31           HA       PRO  31  -3.766  -4.780  18.587
  235    HB2  PRO  31           2HB      PRO  31  -2.978  -7.698  18.469
  236    HB3  PRO  31           3HB      PRO  31  -4.510  -6.924  17.942
  237    HG2  PRO  31           2HG      PRO  31  -2.619  -7.363  16.098
  238    HG3  PRO  31           3HG      PRO  31  -3.397  -5.744  16.169
  239    HD2  PRO  31           2HD      PRO  31  -0.758  -6.638  17.313
  240    HD3  PRO  31           3HD      PRO  31  -1.125  -5.145  16.384
  241    H    ARG  32           H        ARG  32  -5.181  -5.395  20.253
  242    HA   ARG  32           HA       ARG  32  -5.808  -5.330  22.399
  243    HE   ARG  32           HE       ARG  32  -6.889  -8.287  26.039
  244    HB2  ARG  32           2HB      ARG  32  -4.920  -7.793  22.117
  245    HB3  ARG  32           3HB      ARG  32  -3.620  -7.272  23.182
  246    HG2  ARG  32           2HG      ARG  32  -5.330  -6.670  24.915
  247    HG3  ARG  32           3HG      ARG  32  -6.615  -7.157  23.791
  248    HD2  ARG  32           2HD      ARG  32  -5.706  -9.458  23.750
  249    HD3  ARG  32           3HD      ARG  32  -4.408  -8.967  24.861
  250   HH11  ARG  32          1HH1      ARG  32  -5.064 -11.216  25.200
  251   HH12  ARG  32          2HH1      ARG  32  -5.760 -12.180  26.448
  252   HH21  ARG  32          1HH2      ARG  32  -7.819  -9.571  27.703
  253   HH22  ARG  32          2HH2      ARG  32  -7.363 -11.220  27.901
  254    H    SER  33           H        SER  33  -3.357  -3.661  21.414
  255    HA   SER  33           HA       SER  33  -1.798  -2.272  22.141
  256    HG   SER  33           HG       SER  33  -4.484  -0.358  23.522
  257    HB2  SER  33           2HB      SER  33  -3.447  -2.049  24.679
  258    HB3  SER  33           3HB      SER  33  -2.304  -0.861  24.026
  259    H    GLY  34           H        GLY  34  -1.426  -5.207  22.712
  260    HA2  GLY  34           2HA      GLY  34   0.965  -5.181  24.192
  261    HA3  GLY  34           1HA      GLY  34  -0.336  -5.469  25.352
  262    H    ALA  35           H        ALA  35  -0.641  -6.784  22.038
  263    HA   ALA  35           HA       ALA  35  -0.776  -9.483  22.840
  264    HB1  ALA  35           3HB      ALA  35  -1.589  -8.708  20.665
  265    HB2  ALA  35           1HB      ALA  35   0.058  -8.239  20.178
  266    HB3  ALA  35           2HB      ALA  35  -0.352  -9.949  20.414
  267    HA   PRO  36           HA       PRO  36   3.405 -10.381  23.793
  268    HB2  PRO  36           2HB      PRO  36   3.646 -13.082  23.332
  269    HB3  PRO  36           3HB      PRO  36   2.658 -12.383  24.650
  270    HG2  PRO  36           2HG      PRO  36   1.728 -13.295  21.909
  271    HG3  PRO  36           3HG      PRO  36   1.014 -13.685  23.508
  272    HD2  PRO  36           2HD      PRO  36   0.013 -11.695  21.950
  273    HD3  PRO  36           3HD      PRO  36   0.092 -11.520  23.728
  274    H    ALA  37           H        ALA  37   2.379 -11.100  20.510
  275    HA   ALA  37           HA       ALA  37   4.982 -11.677  19.397
  276    HB1  ALA  37           3HB      ALA  37   2.887 -12.329  18.266
  277    HB2  ALA  37           1HB      ALA  37   2.429 -10.619  18.094
  278    HB3  ALA  37           2HB      ALA  37   3.849 -11.257  17.235
  279    H    ALA  38           H        ALA  38   6.265 -10.261  18.085
  280    HA   ALA  38           HA       ALA  38   5.763  -7.353  18.201
  281    HB1  ALA  38           3HB      ALA  38   7.204  -7.880  20.168
  282    HB2  ALA  38           1HB      ALA  38   8.388  -8.643  19.078
  283    HB3  ALA  38           2HB      ALA  38   8.051  -6.900  18.960
  284    H    GLU  39           H        GLU  39   5.410  -9.293  16.135
  285    HA   GLU  39           HA       GLU  39   7.638  -9.021  14.263
  286    HB2  GLU  39           2HB      GLU  39   4.800 -10.097  13.911
  287    HB3  GLU  39           3HB      GLU  39   6.073 -10.181  12.700
  288    HG2  GLU  39           2HG      GLU  39   6.076 -11.582  15.406
  289    HG3  GLU  39           3HG      GLU  39   5.794 -12.323  13.839
  290    H    SER  40           H        SER  40   6.892  -8.234  11.987
  291    HA   SER  40           HA       SER  40   4.986  -6.029  12.027
  292    HG   SER  40           HG       SER  40   8.341  -4.821  12.781
  293    HB2  SER  40           2HB      SER  40   7.794  -5.650  10.949
  294    HB3  SER  40           3HB      SER  40   6.498  -4.454  10.962
  295    H    LYS  41           H        LYS  41   4.491  -5.370   9.801
  296    HA   LYS  41           HA       LYS  41   4.891  -7.327   7.632
  297    HB2  LYS  41           2HB      LYS  41   3.124  -8.280   9.019
  298    HB3  LYS  41           3HB      LYS  41   2.270  -6.752   9.093
  299    HG2  LYS  41           2HG      LYS  41   2.585  -7.809   6.323
  300    HG3  LYS  41           3HG      LYS  41   1.744  -8.899   7.421
  301    HD2  LYS  41           2HD      LYS  41   0.163  -7.109   8.072
  302    HD3  LYS  41           3HD      LYS  41   0.999  -5.979   7.010
  303    HE2  LYS  41           2HE      LYS  41  -1.038  -6.729   5.976
  304    HE3  LYS  41           3HE      LYS  41   0.340  -7.294   5.028
  305    HZ1  LYS  41           3HZ      LYS  41  -0.051  -9.492   5.765
  306    HZ2  LYS  41           1HZ      LYS  41  -0.995  -9.038   7.028
  307    HZ3  LYS  41           2HZ      LYS  41  -1.570  -8.911   5.508
  308    H    GLU  42           H        GLU  42   3.584  -6.320   5.641
  309    HA   GLU  42           HA       GLU  42   3.445  -3.366   5.849
  310    HB2  GLU  42           2HB      GLU  42   4.961  -4.967   3.737
  311    HB3  GLU  42           3HB      GLU  42   4.464  -3.300   3.547
  312    HG2  GLU  42           2HG      GLU  42   6.682  -3.118   4.148
  313    HG3  GLU  42           3HG      GLU  42   5.810  -2.717   5.616
  314    H    ILE  43           H        ILE  43   2.020  -2.437   4.289
  315    HA   ILE  43           HA       ILE  43   0.321  -4.264   2.707
  316    HB   ILE  43           HB       ILE  43  -1.691  -3.003   3.438
  317   HG12  ILE  43          2HG1      ILE  43   0.080  -1.866   5.646
  318   HG13  ILE  43          3HG1      ILE  43  -0.604  -0.955   4.300
  319   HG21  ILE  43          1HG2      ILE  43  -0.311  -4.391   5.758
  320   HG22  ILE  43          2HG2      ILE  43  -2.055  -4.286   5.440
  321   HG23  ILE  43          3HG2      ILE  43  -1.031  -5.223   4.354
  322   HD11  ILE  43          3HD1      ILE  43  -2.887  -1.412   5.137
  323   HD12  ILE  43          1HD1      ILE  43  -2.207  -2.304   6.517
  324   HD13  ILE  43          2HD1      ILE  43  -1.880  -0.581   6.337
  325    H    VAL  44           H        VAL  44  -0.792  -3.214   1.008
  326    HA   VAL  44           HA       VAL  44   0.407  -0.635   0.072
  327    HB   VAL  44           HB       VAL  44  -0.617  -3.079  -1.442
  328   HG11  VAL  44          1HG1      VAL  44   0.761  -0.645  -2.620
  329   HG12  VAL  44          2HG1      VAL  44   0.152  -2.060  -3.488
  330   HG13  VAL  44          3HG1      VAL  44  -0.989  -0.959  -2.717
  331   HG21  VAL  44          3HG2      VAL  44   2.240  -2.063  -1.198
  332   HG22  VAL  44          1HG2      VAL  44   1.584  -3.518  -0.419
  333   HG23  VAL  44          2HG2      VAL  44   1.687  -3.438  -2.180
  334    H    ARG  45           H        ARG  45  -1.139   0.978   0.116
  335    HA   ARG  45           HA       ARG  45  -3.952   0.276  -0.535
  336    HE   ARG  45           HE       ARG  45  -4.001  -2.799   2.374
  337    HB2  ARG  45           2HB      ARG  45  -3.113   2.119   1.746
  338    HB3  ARG  45           3HB      ARG  45  -4.764   1.839   1.214
  339    HG2  ARG  45           2HG      ARG  45  -2.922  -0.165   2.573
  340    HG3  ARG  45           3HG      ARG  45  -4.323   0.653   3.277
  341    HD2  ARG  45           2HD      ARG  45  -5.874  -0.582   1.971
  342    HD3  ARG  45           3HD      ARG  45  -4.634  -1.185   0.896
  343   HH11  ARG  45          1HH2      ARG  45  -6.411  -0.707   3.906
  344   HH12  ARG  45          2HH2      ARG  45  -6.678  -1.740   5.259
  345   HH21  ARG  45          1HH1      ARG  45  -4.365  -4.226   4.138
  346   HH22  ARG  45          2HH1      ARG  45  -5.443  -3.762   5.414
  347    H    GLY  46           H        GLY  46  -4.976   1.898  -1.776
  348    HA2  GLY  46           2HA      GLY  46  -4.012   4.543  -2.118
  349    HA3  GLY  46           1HA      GLY  46  -3.353   3.505  -3.403
  350    H    TYR  47           H        TYR  47  -5.537   5.685  -3.315
  351    HA   TYR  47           HA       TYR  47  -7.563   4.197  -4.839
  352    HD1  TYR  47           HD2      TYR  47  -6.845   4.847  -0.766
  353    HD2  TYR  47           HD1      TYR  47  -9.560   2.274  -2.884
  354    HE1  TYR  47           HE2      TYR  47  -6.569   3.119   0.991
  355    HE2  TYR  47           HE1      TYR  47  -9.257   0.522  -1.177
  356    HH   TYR  47           HH       TYR  47  -8.269  -0.050   0.835
  357    HB2  TYR  47           2HB      TYR  47  -8.443   5.738  -2.388
  358    HB3  TYR  47           3HB      TYR  47  -9.414   4.692  -3.402
  359    H    LYS  48           H        LYS  48  -8.938   5.596  -6.017
  360    HA   LYS  48           HA       LYS  48  -7.870   8.005  -6.869
  361    HB2  LYS  48           2HB      LYS  48  -9.932   8.347  -8.069
  362    HB3  LYS  48           3HB      LYS  48  -9.487   6.642  -8.104
  363    HG2  LYS  48           2HG      LYS  48 -11.143   6.309  -6.155
  364    HG3  LYS  48           3HG      LYS  48 -11.691   7.968  -6.472
  365    HD2  LYS  48           2HD      LYS  48 -12.104   7.268  -8.881
  366    HD3  LYS  48           3HD      LYS  48 -11.738   5.607  -8.407
  367    HE2  LYS  48           2HE      LYS  48 -14.029   7.347  -7.386
  368    HE3  LYS  48           3HE      LYS  48 -14.147   5.985  -8.501
  369    HZ1  LYS  48           3HZ      LYS  48 -13.251   4.578  -6.634
  370    HZ2  LYS  48           1HZ      LYS  48 -13.465   5.856  -5.635
  371    HZ3  LYS  48           2HZ      LYS  48 -14.752   5.198  -6.385
  372    H    TRP  49           H        TRP  49  -9.967   7.607  -4.025
  373    HA   TRP  49           HA       TRP  49 -10.620  10.413  -3.912
  374    HD1  TRP  49           HD1      TRP  49 -12.646   6.646  -2.863
  375    HE1  TRP  49           HE1      TRP  49 -11.955   4.653  -1.434
  376    HE3  TRP  49           HE3      TRP  49  -8.983   8.890  -0.071
  377    HZ2  TRP  49           HZ2      TRP  49 -10.029   4.083   0.659
  378    HZ3  TRP  49           HZ3      TRP  49  -7.674   7.583   1.543
  379    HH2  TRP  49           HH2      TRP  49  -8.154   5.157   1.910
  380    HB2  TRP  49           2HB      TRP  49 -11.366   9.809  -1.554
  381    HB3  TRP  49           3HB      TRP  49 -12.200   9.116  -2.920
  382    H    ALA  50           H        ALA  50  -7.721   8.655  -2.886
  383    HA   ALA  50           HA       ALA  50  -7.012  10.721  -0.940
  384    HB1  ALA  50           3HB      ALA  50  -6.340   8.469  -0.477
  385    HB2  ALA  50           1HB      ALA  50  -5.410   8.376  -2.000
  386    HB3  ALA  50           2HB      ALA  50  -4.931   9.514  -0.708
  387    H    GLU  51           H        GLU  51  -7.209  12.542  -2.346
  388    HA   GLU  51           HA       GLU  51  -5.591  12.974  -4.639
  389    HB2  GLU  51           2HB      GLU  51  -7.626  14.229  -3.979
  390    HB3  GLU  51           3HB      GLU  51  -6.749  14.968  -2.639
  391    HG2  GLU  51           2HG      GLU  51  -5.269  16.140  -4.202
  392    HG3  GLU  51           3HG      GLU  51  -5.963  15.262  -5.571
  393    H    TYR  52           H        TYR  52  -4.670  12.830  -1.286
  394    HA   TYR  52           HA       TYR  52  -1.944  13.735  -1.926
  395    HD1  TYR  52           HD2      TYR  52  -4.755  16.135  -1.453
  396    HD2  TYR  52           HD1      TYR  52  -3.629  14.307   2.266
  397    HE1  TYR  52           HE2      TYR  52  -6.961  16.789  -0.478
  398    HE2  TYR  52           HE1      TYR  52  -5.806  14.942   3.266
  399    HH   TYR  52           HH       TYR  52  -7.860  15.990   2.915
  400    HB2  TYR  52           2HB      TYR  52  -1.985  14.706   0.509
  401    HB3  TYR  52           3HB      TYR  52  -2.413  15.657  -0.896
  402    H    HIS  53           H        HIS  53  -0.332  12.668  -0.552
  403    HA   HIS  53           HA       HIS  53  -1.098   9.906  -0.086
  404    HD2  HIS  53           HD2      HIS  53   0.389   8.151  -1.343
  405    HE1  HIS  53           HE1      HIS  53   2.911  10.224  -4.058
  406    HE2  HIS  53           HE2      HIS  53   1.576   8.093  -3.653
  407    HB2  HIS  53           2HB      HIS  53   1.463  11.474   0.417
  408    HB3  HIS  53           3HB      HIS  53   1.277   9.786   0.847
  409    H    ALA  54           H        ALA  54  -0.477  12.737   2.042
  410    HA   ALA  54           HA       ALA  54  -0.697  11.421   4.496
  411    HB1  ALA  54           3HB      ALA  54  -0.175  13.809   4.300
  412    HB2  ALA  54           1HB      ALA  54  -1.841  14.148   3.771
  413    HB3  ALA  54           2HB      ALA  54  -1.529  13.548   5.412
  414    H    ASP  55           H        ASP  55  -3.333  11.817   2.135
  415    HA   ASP  55           HA       ASP  55  -5.469  11.701   4.059
  416    HB2  ASP  55           2HB      ASP  55  -5.630  12.433   1.567
  417    HB3  ASP  55           3HB      ASP  55  -5.634  10.735   1.181
  418    H    ILE  56           H        ILE  56  -3.939   9.235   1.936
  419    HA   ILE  56           HA       ILE  56  -5.430   7.055   3.098
  420    HB   ILE  56           HB       ILE  56  -3.261   5.790   2.064
  421   HG12  ILE  56          2HG1      ILE  56  -3.367   8.379   0.500
  422   HG13  ILE  56          3HG1      ILE  56  -1.995   7.510   1.184
  423   HG21  ILE  56          1HG2      ILE  56  -5.694   6.596   0.490
  424   HG22  ILE  56          2HG2      ILE  56  -4.677   5.151   0.265
  425   HG23  ILE  56          3HG2      ILE  56  -5.620   5.326   1.734
  426   HD11  ILE  56          3HD1      ILE  56  -2.405   5.714  -0.553
  427   HD12  ILE  56          1HD1      ILE  56  -3.679   6.736  -1.259
  428   HD13  ILE  56          2HD1      ILE  56  -2.002   7.303  -1.236
  429    H    TYR  57           H        TYR  57  -2.225   8.564   3.814
  430    HA   TYR  57           HA       TYR  57  -1.457   6.506   5.607
  431    HD1  TYR  57           HD1      TYR  57   0.483   6.047   6.706
  432    HD2  TYR  57           HD2      TYR  57   0.194  10.246   7.655
  433    HE1  TYR  57           HE1      TYR  57   1.595   5.616   8.846
  434    HE2  TYR  57           HE2      TYR  57   1.342   9.836   9.809
  435    HH   TYR  57           HH       TYR  57   2.338   6.555  10.882
  436    HB2  TYR  57           2HB      TYR  57   0.146   8.187   4.886
  437    HB3  TYR  57           3HB      TYR  57  -0.790   9.463   5.669
  438    H    ASP  58           H        ASP  58  -3.313   9.552   6.289
  439    HA   ASP  58           HA       ASP  58  -3.647   9.003   9.047
  440    HB2  ASP  58           2HB      ASP  58  -4.041  11.214   8.107
  441    HB3  ASP  58           3HB      ASP  58  -5.384  10.604   7.133
  442    H    LYS  59           H        LYS  59  -5.807   8.260   6.253
  443    HA   LYS  59           HA       LYS  59  -7.915   7.089   7.767
  444    HB2  LYS  59           2HB      LYS  59  -8.238   7.806   5.522
  445    HB3  LYS  59           3HB      LYS  59  -6.980   6.742   4.892
  446    HG2  LYS  59           2HG      LYS  59  -8.288   4.863   4.925
  447    HG3  LYS  59           3HG      LYS  59  -9.229   5.381   6.342
  448    HD2  LYS  59           2HD      LYS  59 -10.491   6.976   5.069
  449    HD3  LYS  59           3HD      LYS  59  -9.493   6.718   3.630
  450    HE2  LYS  59           2HE      LYS  59 -10.260   4.330   3.559
  451    HE3  LYS  59           3HE      LYS  59 -11.302   4.642   4.954
  452    HZ1  LYS  59           3HZ      LYS  59 -12.502   6.266   3.603
  453    HZ2  LYS  59           1HZ      LYS  59 -11.529   5.977   2.316
  454    HZ3  LYS  59           2HZ      LYS  59 -12.523   4.809   2.878
  455    H    VAL  60           H        VAL  60  -5.135   5.449   6.097
  456    HA   VAL  60           HA       VAL  60  -6.120   2.886   6.938
  457    HB   VAL  60           HB       VAL  60  -3.441   3.725   5.775
  458   HG11  VAL  60          1HG1      VAL  60  -4.656   0.940   6.155
  459   HG12  VAL  60          2HG1      VAL  60  -3.174   1.306   5.228
  460   HG13  VAL  60          3HG1      VAL  60  -3.223   1.566   6.974
  461   HG21  VAL  60          3HG2      VAL  60  -5.836   2.381   4.437
  462   HG22  VAL  60          1HG2      VAL  60  -5.472   4.108   4.304
  463   HG23  VAL  60          2HG2      VAL  60  -4.327   2.943   3.668
  464    H    SER  61           H        SER  61  -3.401   5.021   8.214
  465    HA   SER  61           HA       SER  61  -2.710   3.129  10.226
  466    HG   SER  61           HG       SER  61  -0.722   5.709   9.024
  467    HB2  SER  61           2HB      SER  61  -2.414   6.151  10.188
  468    HB3  SER  61           3HB      SER  61  -1.639   5.052  11.349
  469    H    GLY  62           H        GLY  62  -5.281   5.652  10.118
  470    HA2  GLY  62           2HA      GLY  62  -6.152   5.419  12.809
  471    HA3  GLY  62           1HA      GLY  62  -7.136   5.881  11.406
  472    H    ASP  63           H        ASP  63  -7.171   3.586   9.829
  473    HA   ASP  63           HA       ASP  63  -9.024   1.917  11.184
  474    HB2  ASP  63           2HB      ASP  63  -8.988   2.188   8.740
  475    HB3  ASP  63           3HB      ASP  63  -7.454   1.316   8.662
  476    H    MET  64           H        MET  64  -5.567   1.332  10.353
  477    HA   MET  64           HA       MET  64  -5.307  -1.210  11.566
  478    HB2  MET  64           2HB      MET  64  -3.319   1.083  11.310
  479    HB3  MET  64           3HB      MET  64  -2.885  -0.555  11.765
  480    HG2  MET  64           2HG      MET  64  -4.232   0.129   9.121
  481    HG3  MET  64           3HG      MET  64  -2.514  -0.058   9.325
  482    HE1  MET  64           3HE      MET  64  -5.979  -1.748   9.455
  483    HE2  MET  64           1HE      MET  64  -5.307  -1.588   7.809
  484    HE3  MET  64           2HE      MET  64  -5.580  -3.201   8.515
  485    H    GLN  65           H        GLN  65  -4.892   2.057  13.072
  486    HA   GLN  65           HA       GLN  65  -4.304   1.071  15.667
  487    HB2  GLN  65           2HB      GLN  65  -5.328   3.667  14.522
  488    HB3  GLN  65           3HB      GLN  65  -5.154   3.477  16.265
  489    HG2  GLN  65           2HG      GLN  65  -2.770   2.772  14.522
  490    HG3  GLN  65           3HG      GLN  65  -3.196   4.462  14.709
  491   HE21  GLN  65          2HE2      GLN  65  -2.190   1.547  16.544
  492   HE22  GLN  65          1HE2      GLN  65  -1.670   2.433  17.966
  493    H    LYS  66           H        LYS  66  -7.468   1.762  14.100
  494    HA   LYS  66           HA       LYS  66  -8.994   1.194  16.484
  495    HB2  LYS  66           2HB      LYS  66  -9.689   1.202  13.522
  496    HB3  LYS  66           3HB      LYS  66 -10.861   0.773  14.774
  497    HG2  LYS  66           2HG      LYS  66 -10.580   2.921  15.886
  498    HG3  LYS  66           3HG      LYS  66  -9.335   3.420  14.748
  499    HD2  LYS  66           2HD      LYS  66 -12.226   2.810  13.996
  500    HD3  LYS  66           3HD      LYS  66 -11.587   4.421  14.343
  501    HE2  LYS  66           2HE      LYS  66  -9.965   4.188  12.453
  502    HE3  LYS  66           3HE      LYS  66 -10.655   2.603  12.080
  503    HZ1  LYS  66           3HZ      LYS  66 -12.774   3.698  11.635
  504    HZ2  LYS  66           1HZ      LYS  66 -12.143   5.163  11.986
  505    HZ3  LYS  66           2HZ      LYS  66 -11.609   4.334  10.691
  506    H    GLN  67           H        GLN  67  -7.742  -0.929  13.831
  507    HA   GLN  67           HA       GLN  67  -8.895  -3.322  14.966
  508    HB2  GLN  67           2HB      GLN  67  -6.522  -2.914  13.087
  509    HB3  GLN  67           3HB      GLN  67  -7.170  -4.472  13.584
  510    HG2  GLN  67           2HG      GLN  67  -9.432  -3.735  12.661
  511    HG3  GLN  67           3HG      GLN  67  -8.620  -2.329  11.983
  512   HE21  GLN  67          2HE2      GLN  67  -8.261  -2.630   9.754
  513   HE22  GLN  67          1HE2      GLN  67  -7.849  -4.184   9.058
  514    H    GLY  68           H        GLY  68  -6.068  -1.419  15.780
  515    HA2  GLY  68           2HA      GLY  68  -5.414  -1.583  18.141
  516    HA3  GLY  68           1HA      GLY  68  -5.364  -3.338  17.959
  517    H    CYS  69           H        CYS  69  -4.189  -2.389  15.069
  518    HA   CYS  69           HA       CYS  69  -1.434  -3.034  15.699
  519    HG   CYS  69           HG       CYS  69  -2.455  -4.541  12.223
  520    HB2  CYS  69           2HB      CYS  69  -2.952  -2.152  13.208
  521    HB3  CYS  69           3HB      CYS  69  -1.214  -2.481  13.209
  522    H    ASP  70           H        ASP  70   0.341  -1.588  14.771
  523    HA   ASP  70           HA       ASP  70  -0.215   1.320  15.005
  524    HB2  ASP  70           2HB      ASP  70   0.925   0.695  17.083
  525    HB3  ASP  70           3HB      ASP  70   2.177  -0.157  16.166
  526    H    CYS  71           H        CYS  71   1.251   2.556  13.570
  527    HA   CYS  71           HA       CYS  71   2.345   0.922  11.352
  528    HG   CYS  71           HG       CYS  71  -1.204   1.071   9.772
  529    HB2  CYS  71           2HB      CYS  71   0.012   2.894  11.268
  530    HB3  CYS  71           3HB      CYS  71   0.895   2.438   9.824
  531    H    GLU  72           H        GLU  72   3.460   2.125   9.671
  532    HA   GLU  72           HA       GLU  72   3.981   4.983  10.040
  533    HB2  GLU  72           2HB      GLU  72   5.815   3.941  11.297
  534    HB3  GLU  72           3HB      GLU  72   6.072   2.753  10.018
  535    HG2  GLU  72           2HG      GLU  72   7.815   4.360   9.897
  536    HG3  GLU  72           3HG      GLU  72   6.793   4.544   8.483
  537    H    CYS  73           H        CYS  73   4.205   5.913   7.906
  538    HA   CYS  73           HA       CYS  73   3.798   4.080   5.619
  539    HG   CYS  73           HG       CYS  73   3.134   8.526   5.373
  540    HB2  CYS  73           2HB      CYS  73   3.852   6.268   4.292
  541    HB3  CYS  73           3HB      CYS  73   2.448   5.983   5.306
  542    H    LEU  74           H        LEU  74   5.515   3.191   4.666
  543    HA   LEU  74           HA       LEU  74   8.238   4.057   5.296
  544    HG   LEU  74           HG       LEU  74   6.691   1.139   5.433
  545    HB2  LEU  74           2HB      LEU  74   7.227   2.041   3.245
  546    HB3  LEU  74           3HB      LEU  74   8.901   2.307   3.705
  547   HD11  LEU  74          1HD1      LEU  74   9.357  -0.035   4.532
  548   HD12  LEU  74          2HD1      LEU  74   8.064  -0.867   5.423
  549   HD13  LEU  74          3HD1      LEU  74   7.800  -0.360   3.750
  550   HD21  LEU  74          3HD2      LEU  74   9.537   1.873   6.250
  551   HD22  LEU  74          1HD2      LEU  74   8.023   2.503   6.943
  552   HD23  LEU  74          2HD2      LEU  74   8.462   0.815   7.185
  553    H    GLY  75           H        GLY  75   5.815   4.765   2.852
  554    HA2  GLY  75           2HA      GLY  75   6.791   7.175   2.073
  555    HA3  GLY  75           1HA      GLY  75   7.588   6.055   0.955
  556    H    GLY  76           H        GLY  76   6.171   7.347  -0.629
  557    HA2  GLY  76           2HA      GLY  76   3.918   5.592  -1.246
  558    HA3  GLY  76           1HA      GLY  76   3.487   7.297  -1.023
  559    H    GLY  77           H        GLY  77   2.896   6.349  -3.339
  560    HA2  GLY  77           2HA      GLY  77   4.468   7.802  -5.287
  561    HA3  GLY  77           1HA      GLY  77   4.579   6.041  -5.476
  562    H    ARG  78           H        ARG  78   3.348   6.399  -7.557
  563    HA   ARG  78           HA       ARG  78   0.457   6.228  -6.991
  564    HE   ARG  78           HE       ARG  78   2.024  10.744  -7.706
  565    HB2  ARG  78           2HB      ARG  78  -0.126   7.545  -8.980
  566    HB3  ARG  78           3HB      ARG  78   0.617   8.531  -7.737
  567    HG2  ARG  78           2HG      ARG  78   2.355   7.386  -9.920
  568    HG3  ARG  78           3HG      ARG  78   1.253   8.693 -10.338
  569    HD2  ARG  78           2HD      ARG  78   3.265   8.872  -8.067
  570    HD3  ARG  78           3HD      ARG  78   3.620   9.396  -9.709
  571   HH11  ARG  78          1HH2      ARG  78   2.445  10.499 -11.258
  572   HH12  ARG  78          2HH2      ARG  78   1.943  12.122 -11.534
  573   HH21  ARG  78          1HH1      ARG  78   1.314  12.881  -8.138
  574   HH22  ARG  78          2HH1      ARG  78   1.250  13.474  -9.750
  575    H    ILE  79           H        ILE  79  -0.667   5.306  -8.881
  576    HA   ILE  79           HA       ILE  79   0.974   3.036  -9.904
  577    HB   ILE  79           HB       ILE  79  -1.841   3.224  -8.776
  578   HG12  ILE  79          2HG1      ILE  79   0.604   1.564  -7.992
  579   HG13  ILE  79          3HG1      ILE  79   0.034   3.006  -7.159
  580   HG21  ILE  79          1HG2      ILE  79  -0.579   0.806 -10.164
  581   HG22  ILE  79          2HG2      ILE  79  -2.153   0.824  -9.335
  582   HG23  ILE  79          3HG2      ILE  79  -1.937   1.766 -10.795
  583   HD11  ILE  79          3HD1      ILE  79  -2.106   1.811  -6.610
  584   HD12  ILE  79          1HD1      ILE  79  -1.390   0.324  -7.283
  585   HD13  ILE  79          2HD1      ILE  79  -0.648   1.106  -5.884
  586    H    SER  80           H        SER  80   0.629   2.417 -12.031
  587    HA   SER  80           HA       SER  80  -1.241   3.804 -13.803
  588    HG   SER  80           HG       SER  80   2.666   4.900 -14.215
  589    HB2  SER  80           2HB      SER  80   0.646   4.704 -15.201
  590    HB3  SER  80           3HB      SER  80   0.481   5.483 -13.628
  591    H    HIS  81           H        HIS  81   0.543   3.026 -16.125
  592    HA   HIS  81           HA       HIS  81   0.952   0.161 -15.855
  593    HD1  HIS  81           HD1      HIS  81   0.235   2.879 -18.720
  594    HD2  HIS  81           HD2      HIS  81  -3.374   0.769 -18.194
  595    HE1  HIS  81           HE1      HIS  81  -1.525   4.114 -20.087
  596    HB2  HIS  81           2HB      HIS  81  -0.369  -0.378 -17.879
  597    HB3  HIS  81           3HB      HIS  81  -1.364   0.138 -16.529
  598    H    GLN  82           H        GLN  82   2.189  -0.659 -17.736
  599    HA   GLN  82           HA       GLN  82   3.852   1.511 -18.948
  600    HB2  GLN  82           2HB      GLN  82   4.874   0.459 -16.974
  601    HB3  GLN  82           3HB      GLN  82   4.788  -1.119 -17.757
  602    HG2  GLN  82           2HG      GLN  82   6.275  -0.178 -19.604
  603    HG3  GLN  82           3HG      GLN  82   6.335   1.339 -18.711
  604   HE21  GLN  82          2HE2      GLN  82   8.594   1.328 -18.283
  605   HE22  GLN  82          1HE2      GLN  82   9.367   0.097 -17.319
  606    H    SER  83           H        SER  83   2.448   1.336 -20.764
  607    HA   SER  83           HA       SER  83   2.010   0.814 -22.883
  608    HG   SER  83           HG       SER  83   5.437   1.777 -23.245
  609    HB2  SER  83           2HB      SER  83   4.791  -0.397 -22.826
  610    HB3  SER  83           3HB      SER  83   3.960   0.324 -24.214
  611    H    GLN  84           H        GLN  84   1.533  -1.607 -20.887
  612    HA   GLN  84           HA       GLN  84   0.598  -3.399 -23.029
  613    HB2  GLN  84           2HB      GLN  84   2.233  -4.309 -20.616
  614    HB3  GLN  84           3HB      GLN  84   1.297  -5.381 -21.658
  615    HG2  GLN  84           2HG      GLN  84   2.723  -4.724 -23.595
  616    HG3  GLN  84           3HG      GLN  84   3.683  -3.691 -22.526
  617   HE21  GLN  84          2HE2      GLN  84   2.745  -7.123 -23.120
  618   HE22  GLN  84          1HE2      GLN  84   4.144  -7.798 -22.325
  619    H    ASP  85           H        ASP  85  -1.414  -4.171 -22.502
  620    HA   ASP  85           HA       ASP  85  -2.975  -2.605 -20.841
  621    HB2  ASP  85           2HB      ASP  85  -3.789  -3.873 -22.780
  622    HB3  ASP  85           3HB      ASP  85  -3.557  -5.390 -21.906
  623    H    LYS  86           H        LYS  86  -1.318  -5.588 -19.952
  624    HA   LYS  86           HA       LYS  86  -2.558  -5.421 -17.240
  625    HB2  LYS  86           2HB      LYS  86  -1.653  -7.893 -18.766
  626    HB3  LYS  86           3HB      LYS  86  -2.121  -7.866 -17.065
  627    HG2  LYS  86           2HG      LYS  86  -4.347  -6.804 -17.847
  628    HG3  LYS  86           3HG      LYS  86  -3.903  -7.356 -19.465
  629    HD2  LYS  86           2HD      LYS  86  -4.058  -9.138 -16.987
  630    HD3  LYS  86           3HD      LYS  86  -5.385  -8.933 -18.133
  631    HE2  LYS  86           2HE      LYS  86  -4.239 -10.003 -19.895
  632    HE3  LYS  86           3HE      LYS  86  -2.660  -9.837 -19.114
  633    HZ1  LYS  86           3HZ      LYS  86  -3.214 -11.469 -17.547
  634    HZ2  LYS  86           1HZ      LYS  86  -4.784 -11.508 -17.917
  635    HZ3  LYS  86           2HZ      LYS  86  -3.675 -12.105 -18.992
  636    H    LYS  87           H        LYS  87   0.138  -4.275 -18.490
  637    HA   LYS  87           HA       LYS  87   1.833  -5.317 -16.263
  638    HB2  LYS  87           2HB      LYS  87   2.883  -5.299 -18.552
  639    HB3  LYS  87           3HB      LYS  87   2.836  -3.517 -18.487
  640    HG2  LYS  87           2HG      LYS  87   4.281  -3.481 -16.554
  641    HG3  LYS  87           3HG      LYS  87   4.103  -5.223 -16.305
  642    HD2  LYS  87           2HD      LYS  87   6.268  -4.824 -17.283
  643    HD3  LYS  87           3HD      LYS  87   5.249  -5.673 -18.451
  644    HE2  LYS  87           2HE      LYS  87   4.730  -3.366 -19.467
  645    HE3  LYS  87           3HE      LYS  87   6.000  -2.722 -18.419
  646    HZ1  LYS  87           3HZ      LYS  87   7.533  -4.307 -19.537
  647    HZ2  LYS  87           1HZ      LYS  87   6.300  -4.756 -20.543
  648    HZ3  LYS  87           2HZ      LYS  87   6.879  -3.231 -20.581
  649    H    ILE  88           H        ILE  88   0.688  -4.348 -14.668
  650    HA   ILE  88           HA       ILE  88  -0.057  -1.535 -14.601
  651    HB   ILE  88           HB       ILE  88   0.313  -3.636 -12.442
  652   HG12  ILE  88          2HG1      ILE  88  -2.274  -2.643 -13.711
  653   HG13  ILE  88          3HG1      ILE  88  -1.477  -4.154 -14.137
  654   HG21  ILE  88          1HG2      ILE  88  -1.104  -0.945 -12.211
  655   HG22  ILE  88          2HG2      ILE  88  -1.029  -2.188 -10.948
  656   HG23  ILE  88          3HG2      ILE  88   0.433  -1.372 -11.427
  657   HD11  ILE  88          3HD1      ILE  88  -1.730  -4.955 -11.786
  658   HD12  ILE  88          1HD1      ILE  88  -2.726  -3.515 -11.449
  659   HD13  ILE  88          2HD1      ILE  88  -3.253  -4.690 -12.655
  660    H    HIS  89           H        HIS  89   1.146   0.036 -13.130
  661    HA   HIS  89           HA       HIS  89   4.011  -0.604 -12.831
  662    HD1  HIS  89           HD1      HIS  89   5.925  -0.697 -14.778
  663    HD2  HIS  89           HD2      HIS  89   5.387   3.362 -13.772
  664    HE1  HIS  89           HE1      HIS  89   8.220   0.364 -14.861
  665    HB2  HIS  89           2HB      HIS  89   3.408   0.487 -15.113
  666    HB3  HIS  89           3HB      HIS  89   3.159   1.959 -14.181
  667    H    VAL  90           H        VAL  90   5.137   0.957 -11.459
  668    HA   VAL  90           HA       VAL  90   3.418   2.665  -9.761
  669    HB   VAL  90           HB       VAL  90   5.465   0.729  -8.611
  670   HG11  VAL  90          1HG1      VAL  90   3.118   2.221  -7.338
  671   HG12  VAL  90          2HG1      VAL  90   4.303   1.203  -6.491
  672   HG13  VAL  90          3HG1      VAL  90   4.813   2.722  -7.251
  673   HG21  VAL  90          3HG2      VAL  90   2.460   0.231  -8.788
  674   HG22  VAL  90          1HG2      VAL  90   3.742  -0.741  -9.539
  675   HG23  VAL  90          2HG2      VAL  90   3.601  -0.692  -7.784
  676    H    TYR  91           H        TYR  91   4.534   4.577  -9.157
  677    HA   TYR  91           HA       TYR  91   7.419   4.785  -9.255
  678    HD1  TYR  91           HD1      TYR  91   4.144   5.082 -11.883
  679    HD2  TYR  91           HD2      TYR  91   6.784   8.447 -11.339
  680    HE1  TYR  91           HE1      TYR  91   2.352   6.610 -12.611
  681    HE2  TYR  91           HE2      TYR  91   5.026   9.978 -12.144
  682    HH   TYR  91           HH       TYR  91   1.783   8.811 -13.155
  683    HB2  TYR  91           2HB      TYR  91   7.642   6.275 -11.096
  684    HB3  TYR  91           3HB      TYR  91   6.788   4.888 -11.723
  685    H    GLY  92           H        GLY  92   7.892   7.404  -9.079
  686    HA2  GLY  92           2HA      GLY  92   7.069   9.519  -8.512
  687    HA3  GLY  92           1HA      GLY  92   5.600   8.813  -7.857
  688    H    TYR  93           H        TYR  93   6.041  10.345  -6.090
  689    HA   TYR  93           HA       TYR  93   7.313   9.052  -3.870
  690    HD1  TYR  93           HD1      TYR  93   7.688  12.049  -6.647
  691    HD2  TYR  93           HD2      TYR  93   9.332  12.841  -2.734
  692    HE1  TYR  93           HE1      TYR  93   7.625  14.468  -7.115
  693    HE2  TYR  93           HE2      TYR  93   9.280  15.262  -3.200
  694    HH   TYR  93           HH       TYR  93   8.071  16.609  -6.310
  695    HB2  TYR  93           2HB      TYR  93   8.925  10.657  -3.322
  696    HB3  TYR  93           3HB      TYR  93   9.250  10.283  -4.994
  697    H    SER  94           H        SER  94   6.728  10.165  -1.846
  698    HA   SER  94           HA       SER  94   4.387  11.989  -2.057
  699    HG   SER  94           HG       SER  94   3.747  12.439   0.406
  700    HB2  SER  94           2HB      SER  94   4.046  10.209  -0.470
  701    HB3  SER  94           3HB      SER  94   5.685  10.360   0.155
  702    H    MET  95           H        MET  95   4.550  14.096  -0.954
  703    HA   MET  95           HA       MET  95   7.300  15.191  -1.105
  704    HB2  MET  95           2HB      MET  95   6.406  17.238  -1.274
  705    HB3  MET  95           3HB      MET  95   4.990  16.367  -1.822
  706    HG2  MET  95           2HG      MET  95   4.112  17.885  -0.320
  707    HG3  MET  95           3HG      MET  95   4.236  16.441   0.684
  708    HE1  MET  95           3HE      MET  95   3.763  19.357   1.857
  709    HE2  MET  95           1HE      MET  95   3.939  17.905   2.869
  710    HE3  MET  95           2HE      MET  95   4.889  19.361   3.231
  711    H    ALA  96           H        ALA  96   4.650  14.379   1.195
  712    HA   ALA  96           HA       ALA  96   6.152  15.432   3.445
  713    HB1  ALA  96           3HB      ALA  96   3.729  15.529   3.415
  714    HB2  ALA  96           1HB      ALA  96   3.621  13.763   3.284
  715    HB3  ALA  96           2HB      ALA  96   4.254  14.508   4.769
  716    H    TYR  97           H        TYR  97   5.865  12.236   1.981
  717    HA   TYR  97           HA       TYR  97   7.439  11.060   4.230
  718    HD1  TYR  97           HD1      TYR  97   5.758  10.552   6.241
  719    HD2  TYR  97           HD2      TYR  97   3.256  11.019   2.756
  720    HE1  TYR  97           HE1      TYR  97   3.991  11.571   7.643
  721    HE2  TYR  97           HE2      TYR  97   1.473  11.947   4.145
  722    HH   TYR  97           HH       TYR  97   1.847  12.507   7.680
  723    HB2  TYR  97           2HB      TYR  97   5.272   9.715   2.596
  724    HB3  TYR  97           3HB      TYR  97   6.051   9.110   4.048
  725    H    GLY  98           H        GLY  98   7.759  11.760   0.938
  726    HA2  GLY  98           2HA      GLY  98   9.547  11.259  -0.396
  727    HA3  GLY  98           1HA      GLY  98  10.144  10.137   0.826
  728    HA   PRO  99           HA       PRO  99   8.444   7.665  -2.793
  729    HB2  PRO  99           2HB      PRO  99  10.757   6.511  -3.668
  730    HB3  PRO  99           3HB      PRO  99  10.207   8.117  -4.229
  731    HG2  PRO  99           2HG      PRO  99  12.250   7.487  -2.086
  732    HG3  PRO  99           3HG      PRO  99  12.357   8.697  -3.402
  733    HD2  PRO  99           2HD      PRO  99  11.612   9.327  -0.827
  734    HD3  PRO  99           3HD      PRO  99  10.982  10.206  -2.250
  735    H    ALA 100           H        ALA 100   7.793   5.605  -2.414
  736    HA   ALA 100           HA       ALA 100   8.653   4.160  -0.008
  737    HB1  ALA 100           3HB      ALA 100   6.293   4.090  -0.770
  738    HB2  ALA 100           1HB      ALA 100   6.829   3.495  -2.352
  739    HB3  ALA 100           2HB      ALA 100   7.015   2.478  -0.908
  740    H    GLN 101           H        GLN 101   9.237   1.809  -0.261
  741    HA   GLN 101           HA       GLN 101  11.277   1.326  -2.346
  742    HB2  GLN 101           2HB      GLN 101  10.237  -0.335  -0.009
  743    HB3  GLN 101           3HB      GLN 101  11.367  -0.951  -1.227
  744    HG2  GLN 101           2HG      GLN 101  12.935   0.898  -0.653
  745    HG3  GLN 101           3HG      GLN 101  11.842   1.364   0.671
  746   HE21  GLN 101          2HE2      GLN 101  11.535  -0.203   2.465
  747   HE22  GLN 101          1HE2      GLN 101  12.740  -1.430   2.763
  748    H    HIS 102           H        HIS 102   9.730   1.650  -4.089
  749    HA   HIS 102           HA       HIS 102   7.302   0.383  -4.348
  750    HD1  HIS 102           HD1      HIS 102   9.485   3.911  -5.966
  751    HD2  HIS 102           HD2      HIS 102   5.764   2.204  -4.979
  752    HE1  HIS 102           HE1      HIS 102   8.056   5.769  -5.031
  753    HB2  HIS 102           2HB      HIS 102   9.248   1.263  -6.507
  754    HB3  HIS 102           3HB      HIS 102   7.566   0.807  -6.804
  755    H    ALA 103           H        ALA 103  10.336  -1.187  -4.575
  756    HA   ALA 103           HA       ALA 103   9.774  -3.503  -6.108
  757    HB1  ALA 103           3HB      ALA 103  12.019  -2.900  -5.244
  758    HB2  ALA 103           1HB      ALA 103  11.452  -3.092  -3.570
  759    HB3  ALA 103           2HB      ALA 103  11.547  -4.504  -4.648
  760    H    ILE 104           H        ILE 104   8.940  -2.641  -2.719
  761    HA   ILE 104           HA       ILE 104   7.976  -5.262  -1.991
  762    HB   ILE 104           HB       ILE 104   7.324  -2.519  -0.822
  763   HG12  ILE 104          2HG1      ILE 104   9.511  -4.462   0.055
  764   HG13  ILE 104          3HG1      ILE 104   9.787  -2.964  -0.832
  765   HG21  ILE 104          1HG2      ILE 104   7.137  -5.298   0.435
  766   HG22  ILE 104          2HG2      ILE 104   6.710  -3.760   1.222
  767   HG23  ILE 104          3HG2      ILE 104   5.765  -4.330  -0.144
  768   HD11  ILE 104          3HD1      ILE 104   8.711  -1.692   1.059
  769   HD12  ILE 104          1HD1      ILE 104   8.762  -3.201   2.007
  770   HD13  ILE 104          2HD1      ILE 104  10.263  -2.468   1.417
  771    H    SER 105           H        SER 105   6.455  -2.186  -3.158
  772    HA   SER 105           HA       SER 105   3.809  -2.982  -3.054
  773    HG   SER 105           HG       SER 105   4.970   0.444  -3.570
  774    HB2  SER 105           2HB      SER 105   4.770  -1.189  -5.279
  775    HB3  SER 105           3HB      SER 105   3.381  -1.007  -4.192
  776    H    THR 106           H        THR 106   6.142  -3.244  -5.849
  777    HA   THR 106           HA       THR 106   4.147  -4.217  -7.613
  778    HB   THR 106           HB       THR 106   6.119  -4.966  -8.985
  779    HG1  THR 106           1HG      THR 106   8.096  -4.820  -8.192
  780   HG21  THR 106          3HG2      THR 106   5.133  -2.636  -9.038
  781   HG22  THR 106          1HG2      THR 106   6.376  -2.122  -7.901
  782   HG23  THR 106          2HG2      THR 106   6.831  -2.728  -9.504
  783    H    GLU 107           H        GLU 107   6.607  -6.032  -5.646
  784    HA   GLU 107           HA       GLU 107   5.748  -8.575  -6.504
  785    HB2  GLU 107           2HB      GLU 107   7.035  -7.656  -3.913
  786    HB3  GLU 107           3HB      GLU 107   6.746  -9.356  -4.288
  787    HG2  GLU 107           2HG      GLU 107   8.413  -7.473  -6.020
  788    HG3  GLU 107           3HG      GLU 107   9.064  -8.590  -4.829
  789    H    LYS 108           H        LYS 108   4.443  -6.570  -3.810
  790    HA   LYS 108           HA       LYS 108   2.598  -8.594  -2.919
  791    HB2  LYS 108           2HB      LYS 108   2.701  -5.574  -2.607
  792    HB3  LYS 108           3HB      LYS 108   1.396  -6.557  -1.928
  793    HG2  LYS 108           2HG      LYS 108   2.982  -7.897  -0.633
  794    HG3  LYS 108           3HG      LYS 108   4.344  -7.004  -1.316
  795    HD2  LYS 108           2HD      LYS 108   3.543  -4.923  -0.302
  796    HD3  LYS 108           3HD      LYS 108   2.125  -5.745   0.374
  797    HE2  LYS 108           2HE      LYS 108   4.907  -6.799   0.948
  798    HE3  LYS 108           3HE      LYS 108   4.338  -5.375   1.822
  799    HZ1  LYS 108           3HZ      LYS 108   2.671  -6.590   2.855
  800    HZ2  LYS 108           1HZ      LYS 108   2.617  -7.762   1.756
  801    HZ3  LYS 108           2HZ      LYS 108   3.887  -7.698   2.814
  802    H    ILE 109           H        ILE 109   2.155  -5.847  -5.253
  803    HA   ILE 109           HA       ILE 109  -0.602  -6.476  -5.717
  804    HB   ILE 109           HB       ILE 109   1.406  -4.984  -7.436
  805   HG12  ILE 109          2HG1      ILE 109  -0.805  -3.780  -5.707
  806   HG13  ILE 109          3HG1      ILE 109   0.797  -4.054  -5.067
  807   HG21  ILE 109          1HG2      ILE 109  -1.652  -4.882  -7.601
  808   HG22  ILE 109          2HG2      ILE 109  -0.504  -4.023  -8.645
  809   HG23  ILE 109          3HG2      ILE 109  -0.639  -5.771  -8.748
  810   HD11  ILE 109          3HD1      ILE 109   1.774  -2.618  -6.868
  811   HD12  ILE 109          1HD1      ILE 109   0.124  -2.243  -7.422
  812   HD13  ILE 109          2HD1      ILE 109   0.645  -1.759  -5.805
  813    H    LYS 110           H        LYS 110   2.430  -7.640  -7.306
  814    HA   LYS 110           HA       LYS 110   1.142  -9.156  -9.361
  815    HB2  LYS 110           2HB      LYS 110   3.803  -9.599  -7.935
  816    HB3  LYS 110           3HB      LYS 110   3.300 -10.480  -9.385
  817    HG2  LYS 110           2HG      LYS 110   3.400  -8.572 -10.771
  818    HG3  LYS 110           3HG      LYS 110   3.308  -7.479  -9.404
  819    HD2  LYS 110           2HD      LYS 110   5.490  -7.198  -9.975
  820    HD3  LYS 110           3HD      LYS 110   5.614  -8.391  -8.693
  821    HE2  LYS 110           2HE      LYS 110   5.659 -10.185 -10.493
  822    HE3  LYS 110           3HE      LYS 110   5.705  -8.879 -11.696
  823    HZ1  LYS 110           3HZ      LYS 110   7.795  -8.148 -10.757
  824    HZ2  LYS 110           1HZ      LYS 110   7.710  -9.226  -9.521
  825    HZ3  LYS 110           2HZ      LYS 110   7.936  -9.747 -11.066
  826    H    ALA 111           H        ALA 111   2.110 -10.078  -5.997
  827    HA   ALA 111           HA       ALA 111   1.138 -12.746  -6.168
  828    HB1  ALA 111           3HB      ALA 111   2.640 -11.948  -4.376
  829    HB2  ALA 111           1HB      ALA 111   1.342 -10.916  -3.732
  830    HB3  ALA 111           2HB      ALA 111   1.168 -12.681  -3.708
  831    H    LYS 112           H        LYS 112  -0.512  -9.680  -5.239
  832    HA   LYS 112           HA       LYS 112  -2.980 -10.894  -4.515
  833    HB2  LYS 112           2HB      LYS 112  -2.249  -8.597  -3.869
  834    HB3  LYS 112           3HB      LYS 112  -2.452  -8.093  -5.544
  835    HG2  LYS 112           2HG      LYS 112  -4.364  -7.337  -4.483
  836    HG3  LYS 112           3HG      LYS 112  -4.904  -8.756  -5.346
  837    HD2  LYS 112           2HD      LYS 112  -4.236  -8.726  -2.377
  838    HD3  LYS 112           3HD      LYS 112  -5.832  -8.380  -3.018
  839    HE2  LYS 112           2HE      LYS 112  -4.349 -11.025  -3.212
  840    HE3  LYS 112           3HE      LYS 112  -5.734 -10.651  -2.199
  841    HZ1  LYS 112           3HZ      LYS 112  -7.032 -10.309  -4.258
  842    HZ2  LYS 112           1HZ      LYS 112  -5.745 -10.812  -5.160
  843    HZ3  LYS 112           2HZ      LYS 112  -6.471 -11.830  -4.115
  844    H    TYR 113           H        TYR 113  -1.738  -9.906  -7.710
  845    HA   TYR 113           HA       TYR 113  -4.245 -10.970  -8.940
  846    HD1  TYR 113           HD2      TYR 113  -6.303  -9.289  -9.054
  847    HD2  TYR 113           HD1      TYR 113  -2.862  -6.863  -8.130
  848    HE1  TYR 113           HE2      TYR 113  -7.703  -7.870  -7.581
  849    HE2  TYR 113           HE1      TYR 113  -4.250  -5.422  -6.672
  850    HH   TYR 113           HH       TYR 113  -6.382  -5.044  -5.796
  851    HB2  TYR 113           2HB      TYR 113  -2.689  -8.507  -9.795
  852    HB3  TYR 113           3HB      TYR 113  -4.138  -9.150 -10.552
  853    HA   PRO 114           HA       PRO 114  -0.395 -13.171 -10.389
  854    HB2  PRO 114           2HB      PRO 114  -2.461 -15.348 -10.718
  855    HB3  PRO 114           3HB      PRO 114  -0.764 -15.478 -10.159
  856    HG2  PRO 114           2HG      PRO 114  -2.794 -15.521  -8.367
  857    HG3  PRO 114           3HG      PRO 114  -1.320 -14.554  -8.027
  858    HD2  PRO 114           2HD      PRO 114  -3.988 -13.597  -9.094
  859    HD3  PRO 114           3HD      PRO 114  -2.958 -12.898  -7.814
  860    H    ASP 115           H        ASP 115  -3.589 -12.813 -11.923
  861    HA   ASP 115           HA       ASP 115  -2.791 -13.742 -14.534
  862    HB2  ASP 115           2HB      ASP 115  -5.142 -13.675 -13.676
  863    HB3  ASP 115           3HB      ASP 115  -5.099 -11.912 -13.772
  864    H    TYR 116           H        TYR 116  -1.941 -10.913 -12.850
  865    HA   TYR 116           HA       TYR 116  -1.487  -9.310 -15.329
  866    HD1  TYR 116           HD2      TYR 116  -4.348  -9.643 -12.960
  867    HD2  TYR 116           HD1      TYR 116  -2.858  -6.151 -15.001
  868    HE1  TYR 116           HE2      TYR 116  -6.650  -9.088 -13.674
  869    HE2  TYR 116           HE1      TYR 116  -5.157  -5.568 -15.703
  870    HH   TYR 116           HH       TYR 116  -7.408  -6.179 -15.651
  871    HB2  TYR 116           2HB      TYR 116  -2.016  -8.481 -12.443
  872    HB3  TYR 116           3HB      TYR 116  -1.409  -7.388 -13.663
  873    H    GLU 117           H        GLU 117   0.434  -7.723 -14.847
  874    HA   GLU 117           HA       GLU 117   2.512  -8.892 -13.122
  875    HB2  GLU 117           2HB      GLU 117   2.970  -9.760 -15.381
  876    HB3  GLU 117           3HB      GLU 117   2.983  -8.112 -16.034
  877    HG2  GLU 117           2HG      GLU 117   4.979  -7.570 -14.773
  878    HG3  GLU 117           3HG      GLU 117   4.848  -9.054 -13.818
  879    H    VAL 118           H        VAL 118   4.183  -7.139 -12.673
  880    HA   VAL 118           HA       VAL 118   3.111  -4.444 -12.968
  881    HB   VAL 118           HB       VAL 118   3.812  -5.482 -10.225
  882   HG11  VAL 118          1HG1      VAL 118   2.073  -3.120 -11.075
  883   HG12  VAL 118          2HG1      VAL 118   2.636  -3.488  -9.437
  884   HG13  VAL 118          3HG1      VAL 118   3.781  -2.988 -10.697
  885   HG21  VAL 118          3HG2      VAL 118   0.937  -5.287 -11.250
  886   HG22  VAL 118          1HG2      VAL 118   1.773  -6.795 -10.917
  887   HG23  VAL 118          2HG2      VAL 118   1.477  -5.674  -9.608
  888    H    THR 119           H        THR 119   4.804  -2.941 -12.958
  889    HA   THR 119           HA       THR 119   7.518  -3.832 -12.140
  890    HB   THR 119           HB       THR 119   8.289  -2.492 -14.209
  891    HG1  THR 119           1HG      THR 119   6.839  -2.295 -15.861
  892   HG21  THR 119          3HG2      THR 119   8.434  -4.967 -14.023
  893   HG22  THR 119          1HG2      THR 119   6.806  -5.108 -14.724
  894   HG23  THR 119          2HG2      THR 119   8.140  -4.420 -15.681
  895    H    TRP 120           H        TRP 120   8.993  -1.757 -12.061
  896    HA   TRP 120           HA       TRP 120   7.487   0.674 -11.515
  897    HD1  TRP 120           HD1      TRP 120   8.989  -2.660  -9.045
  898    HE1  TRP 120           HE1      TRP 120  11.301  -3.173  -8.132
  899    HE3  TRP 120           HE3      TRP 120  10.917   2.114  -9.023
  900    HZ2  TRP 120           HZ2      TRP 120  13.702  -1.724  -7.448
  901    HZ3  TRP 120           HZ3      TRP 120  13.268   2.466  -8.271
  902    HH2  TRP 120           HH2      TRP 120  14.644   0.583  -7.473
  903    HB2  TRP 120           2HB      TRP 120   8.503   1.119  -9.371
  904    HB3  TRP 120           3HB      TRP 120   7.573  -0.358  -9.280
  905    H    ALA 121           H        ALA 121   8.851   2.536 -11.565
  906    HA   ALA 121           HA       ALA 121  11.702   2.287 -12.129
  907    HB1  ALA 121           3HB      ALA 121  10.735   1.967 -14.405
  908    HB2  ALA 121           1HB      ALA 121   9.795   3.460 -14.220
  909    HB3  ALA 121           2HB      ALA 121  11.570   3.531 -14.263
  910    H    ASN 122           H        ASN 122  12.223   3.668 -10.444
  911    HA   ASN 122           HA       ASN 122  10.252   5.574  -9.605
  912    HB2  ASN 122           2HB      ASN 122  12.094   4.256  -8.194
  913    HB3  ASN 122           3HB      ASN 122  12.977   5.772  -8.387
  914   HD21  ASN 122          2HD2      ASN 122  10.928   7.709  -8.174
  915   HD22  ASN 122          1HD2      ASN 122   9.954   7.467  -6.723
  916    H    ASP 123           H        ASP 123  12.395   5.840 -12.119
  917    HA   ASP 123           HA       ASP 123  13.639   8.363 -11.880
  918    HB2  ASP 123           2HB      ASP 123  14.157   6.732 -13.642
  919    HB3  ASP 123           3HB      ASP 123  12.527   6.908 -14.304
  920    H    GLY 124           H        GLY 124  10.295   7.512 -12.609
  921    HA2  GLY 124           2HA      GLY 124   9.471  10.212 -13.389
  922    HA3  GLY 124           1HA      GLY 124   8.415   8.852 -12.995
  923    H    TYR 125           H        TYR 125   8.923  11.824 -12.016
  924    HA   TYR 125           HA       TYR 125   8.286  11.320  -9.169
  925    HD1  TYR 125           HD1      TYR 125   9.998  11.177  -7.115
  926    HD2  TYR 125           HD2      TYR 125  12.349  12.056 -10.622
  927    HE1  TYR 125           HE1      TYR 125  11.793   9.711  -6.262
  928    HE2  TYR 125           HE2      TYR 125  14.158  10.591  -9.779
  929    HH   TYR 125           HH       TYR 125  13.926   8.839  -6.645
  930    HB2  TYR 125           2HB      TYR 125  10.361  13.299 -10.202
  931    HB3  TYR 125           3HB      TYR 125   9.693  13.314  -8.583
  Start of MODEL    3
    1    HA   MET   1           HA       MET   1 -11.115   0.202  18.489
    2    H1   MET   1           H1       MET   1 -13.872   0.211  19.046
    3    H2   MET   1           H2       MET   1 -12.931   1.425  18.475
    4    H3   MET   1           H3       MET   1 -13.080   1.189  20.095
    5    HB2  MET   1           2HB      MET   1 -11.995  -0.697  21.271
    6    HB3  MET   1           3HB      MET   1 -10.536  -1.275  20.477
    7    HG2  MET   1           2HG      MET   1 -11.145   1.602  21.228
    8    HG3  MET   1           3HG      MET   1  -9.992   0.529  22.002
    9    HE1  MET   1           3HE      MET   1  -7.702  -0.221  21.007
   10    HE2  MET   1           1HE      MET   1  -8.414  -0.859  19.502
   11    HE3  MET   1           2HE      MET   1  -7.069   0.294  19.431
   12    H    ALA   2           H        ALA   2 -10.459  -1.942  17.890
   13    HA   ALA   2           HA       ALA   2 -12.464  -4.107  17.933
   14    HB1  ALA   2           3HB      ALA   2 -12.840  -2.923  15.782
   15    HB2  ALA   2           1HB      ALA   2 -11.119  -3.089  15.382
   16    HB3  ALA   2           2HB      ALA   2 -12.152  -4.528  15.515
   17    H    VAL   3           H        VAL   3 -11.101  -6.017  16.589
   18    HA   VAL   3           HA       VAL   3  -8.299  -6.046  17.386
   19    HB   VAL   3           HB       VAL   3  -9.460  -6.795  19.405
   20   HG11  VAL   3          1HG1      VAL   3 -10.652  -9.061  17.761
   21   HG12  VAL   3          2HG1      VAL   3 -10.739  -8.878  19.524
   22   HG13  VAL   3          3HG1      VAL   3 -11.545  -7.703  18.482
   23   HG21  VAL   3          3HG2      VAL   3  -8.108  -9.189  18.108
   24   HG22  VAL   3          1HG2      VAL   3  -7.254  -7.799  18.819
   25   HG23  VAL   3          2HG2      VAL   3  -8.265  -8.832  19.834
   26    H    ALA   4           H        ALA   4  -7.179  -7.851  16.323
   27    HA   ALA   4           HA       ALA   4  -8.356  -9.376  14.197
   28    HB1  ALA   4           3HB      ALA   4  -8.412  -7.090  13.167
   29    HB2  ALA   4           1HB      ALA   4  -6.671  -6.918  13.481
   30    HB3  ALA   4           2HB      ALA   4  -7.268  -8.146  12.342
   31    H    ASP   5           H        ASP   5  -5.978  -9.577  12.703
   32    HA   ASP   5           HA       ASP   5  -3.640  -9.869  14.405
   33    HB2  ASP   5           2HB      ASP   5  -4.653 -12.116  14.643
   34    HB3  ASP   5           3HB      ASP   5  -4.841 -12.237  12.892
   35    H    LEU   6           H        LEU   6  -1.716  -9.875  12.924
   36    HA   LEU   6           HA       LEU   6  -2.003  -8.173  10.729
   37    HG   LEU   6           HG       LEU   6   0.138  -8.442  13.079
   38    HB2  LEU   6           2HB      LEU   6   0.189 -10.194  11.350
   39    HB3  LEU   6           3HB      LEU   6   0.283  -8.977  10.094
   40   HD11  LEU   6          1HD1      LEU   6   2.337  -7.986  11.008
   41   HD12  LEU   6          2HD1      LEU   6   2.418  -7.571  12.735
   42   HD13  LEU   6          3HD1      LEU   6   2.312  -9.262  12.242
   43   HD21  LEU   6          3HD2      LEU   6   0.211  -6.477  10.746
   44   HD22  LEU   6          1HD2      LEU   6  -1.034  -6.614  12.015
   45   HD23  LEU   6          2HD2      LEU   6   0.578  -6.050  12.434
   46    H    ALA   7           H        ALA   7  -2.136 -11.763  10.771
   47    HA   ALA   7           HA       ALA   7  -1.876 -12.098   7.969
   48    HB1  ALA   7           3HB      ALA   7  -1.580 -13.917   9.617
   49    HB2  ALA   7           1HB      ALA   7  -3.318 -13.848  10.005
   50    HB3  ALA   7           2HB      ALA   7  -2.784 -14.345   8.387
   51    H    LEU   8           H        LEU   8  -4.605 -11.008   9.908
   52    HA   LEU   8           HA       LEU   8  -6.622 -11.782   7.909
   53    HG   LEU   8           HG       LEU   8  -6.295 -12.465  11.013
   54    HB2  LEU   8           2HB      LEU   8  -6.863 -10.108  10.442
   55    HB3  LEU   8           3HB      LEU   8  -8.200 -10.670   9.449
   56   HD11  LEU   8          1HD1      LEU   8  -9.221 -11.759  11.495
   57   HD12  LEU   8          2HD1      LEU   8  -8.242 -12.896  12.449
   58   HD13  LEU   8          3HD1      LEU   8  -7.837 -11.176  12.443
   59   HD21  LEU   8          3HD2      LEU   8  -8.763 -13.177   9.366
   60   HD22  LEU   8          1HD2      LEU   8  -7.085 -13.664   9.030
   61   HD23  LEU   8          2HD2      LEU   8  -7.906 -14.283  10.462
   62    H    ILE   9           H        ILE   9  -4.577  -9.005   8.569
   63    HA   ILE   9           HA       ILE   9  -6.304  -7.013   7.456
   64    HB   ILE   9           HB       ILE   9  -3.265  -6.914   7.425
   65   HG12  ILE   9          2HG1      ILE   9  -5.108  -6.201   9.753
   66   HG13  ILE   9          3HG1      ILE   9  -3.961  -7.543   9.705
   67   HG21  ILE   9          1HG2      ILE   9  -5.410  -4.747   7.615
   68   HG22  ILE   9          2HG2      ILE   9  -3.660  -4.466   7.567
   69   HG23  ILE   9          3HG2      ILE   9  -4.465  -5.148   6.166
   70   HD11  ILE   9          3HD1      ILE   9  -2.075  -5.946   9.499
   71   HD12  ILE   9          1HD1      ILE   9  -3.227  -4.610   9.733
   72   HD13  ILE   9          2HD1      ILE   9  -3.003  -5.801  11.010
   73    HA   PRO  10           HA       PRO  10  -5.938  -8.296   3.100
   74    HB2  PRO  10           2HB      PRO  10  -6.291  -5.321   2.684
   75    HB3  PRO  10           3HB      PRO  10  -7.060  -6.677   1.804
   76    HG2  PRO  10           2HG      PRO  10  -8.432  -5.335   3.720
   77    HG3  PRO  10           3HG      PRO  10  -8.527  -7.125   3.638
   78    HD2  PRO  10           2HD      PRO  10  -6.863  -5.415   5.494
   79    HD3  PRO  10           3HD      PRO  10  -7.806  -6.894   5.851
   80    H    ASP  11           H        ASP  11  -4.039  -8.605   2.023
   81    HA   ASP  11           HA       ASP  11  -1.628  -7.273   2.882
   82    HB2  ASP  11           2HB      ASP  11  -1.823  -9.666   2.230
   83    HB3  ASP  11           3HB      ASP  11  -2.145  -9.181   0.563
   84    H    VAL  12           H        VAL  12  -3.602  -7.184  -0.090
   85    HA   VAL  12           HA       VAL  12  -2.425  -4.575  -0.887
   86    HB   VAL  12           HB       VAL  12  -2.865  -7.062  -2.584
   87   HG11  VAL  12          1HG1      VAL  12  -2.147  -4.283  -3.604
   88   HG12  VAL  12          2HG1      VAL  12  -2.234  -5.786  -4.561
   89   HG13  VAL  12          3HG1      VAL  12  -3.700  -5.116  -3.860
   90   HG21  VAL  12          3HG2      VAL  12  -0.355  -5.423  -2.136
   91   HG22  VAL  12          1HG2      VAL  12  -0.704  -7.039  -1.482
   92   HG23  VAL  12          2HG2      VAL  12  -0.533  -6.820  -3.223
   93    H    ASP  13           H        ASP  13  -4.105  -3.135  -1.227
   94    HA   ASP  13           HA       ASP  13  -6.606  -4.037  -2.362
   95    HB2  ASP  13           2HB      ASP  13  -7.163  -4.368   0.029
   96    HB3  ASP  13           3HB      ASP  13  -6.656  -2.718   0.386
   97    H    ILE  14           H        ILE  14  -6.715  -2.605  -3.984
   98    HA   ILE  14           HA       ILE  14  -6.045   0.210  -3.616
   99    HB   ILE  14           HB       ILE  14  -4.561   0.000  -5.704
  100   HG12  ILE  14          2HG1      ILE  14  -4.213  -2.878  -4.731
  101   HG13  ILE  14          3HG1      ILE  14  -5.099  -2.414  -6.177
  102   HG21  ILE  14          1HG2      ILE  14  -3.400  -1.107  -3.114
  103   HG22  ILE  14          2HG2      ILE  14  -2.527  -0.245  -4.399
  104   HG23  ILE  14          3HG2      ILE  14  -3.740   0.602  -3.454
  105   HD11  ILE  14          3HD1      ILE  14  -2.959  -1.401  -7.080
  106   HD12  ILE  14          1HD1      ILE  14  -2.112  -2.077  -5.668
  107   HD13  ILE  14          2HD1      ILE  14  -2.901  -3.156  -6.825
  108    H    ASP  15           H        ASP  15  -6.691   1.484  -5.486
  109    HA   ASP  15           HA       ASP  15  -9.273   0.857  -6.384
  110    HB2  ASP  15           2HB      ASP  15  -8.623   3.123  -6.299
  111    HB3  ASP  15           3HB      ASP  15  -7.218   2.858  -7.329
  112    H    SER  16           H        SER  16  -6.241   0.713  -8.307
  113    HA   SER  16           HA       SER  16  -5.802  -0.054 -10.388
  114    HG   SER  16           HG       SER  16  -4.904  -2.868  -8.603
  115    HB2  SER  16           2HB      SER  16  -7.127  -2.477  -9.147
  116    HB3  SER  16           3HB      SER  16  -6.016  -2.490 -10.536
  117    H    ASP  17           H        ASP  17  -8.116   1.542 -10.651
  118    HA   ASP  17           HA       ASP  17  -9.215   0.236 -13.097
  119    HB2  ASP  17           2HB      ASP  17 -10.882   0.247 -11.226
  120    HB3  ASP  17           3HB      ASP  17 -10.759   2.007 -11.167
  121    H    GLY  18           H        GLY  18  -7.030   2.385 -12.230
  122    HA2  GLY  18           2HA      GLY  18  -6.873   3.842 -14.567
  123    HA3  GLY  18           1HA      GLY  18  -7.840   4.844 -13.471
  124    H    VAL  19           H        VAL  19  -5.940   6.322 -13.648
  125    HA   VAL  19           HA       VAL  19  -3.491   5.715 -12.202
  126    HB   VAL  19           HB       VAL  19  -4.841   8.320 -13.068
  127   HG11  VAL  19          1HG1      VAL  19  -2.061   7.835 -11.948
  128   HG12  VAL  19          2HG1      VAL  19  -2.589   9.351 -12.739
  129   HG13  VAL  19          3HG1      VAL  19  -3.336   8.842 -11.233
  130   HG21  VAL  19          3HG2      VAL  19  -2.540   6.745 -14.308
  131   HG22  VAL  19          1HG2      VAL  19  -4.164   6.941 -14.995
  132   HG23  VAL  19          2HG2      VAL  19  -3.110   8.343 -14.848
  133    H    PHE  20           H        PHE  20  -3.088   6.064  -9.994
  134    HA   PHE  20           HA       PHE  20  -4.626   7.906  -8.433
  135    HD1  PHE  20           HD1      PHE  20  -5.614   4.156  -9.707
  136    HD2  PHE  20           HD2      PHE  20  -4.110   4.522  -5.699
  137    HE1  PHE  20           HE1      PHE  20  -4.822   1.822  -9.801
  138    HE2  PHE  20           HE2      PHE  20  -3.425   2.145  -5.735
  139    HZ   PHE  20           HZ       PHE  20  -3.762   0.781  -7.803
  140    HB2  PHE  20           2HB      PHE  20  -5.398   6.349  -6.698
  141    HB3  PHE  20           3HB      PHE  20  -6.236   6.100  -8.210
  142    H    LYS  21           H        LYS  21  -3.796   7.840  -6.088
  143    HA   LYS  21           HA       LYS  21  -0.862   7.370  -6.107
  144    HB2  LYS  21           2HB      LYS  21  -2.734   9.221  -4.616
  145    HB3  LYS  21           3HB      LYS  21  -1.087   8.936  -4.071
  146    HG2  LYS  21           2HG      LYS  21  -0.107   9.924  -5.972
  147    HG3  LYS  21           3HG      LYS  21  -1.568   9.736  -6.955
  148    HD2  LYS  21           2HD      LYS  21  -2.750  11.405  -5.636
  149    HD3  LYS  21           3HD      LYS  21  -1.333  11.638  -4.587
  150    HE2  LYS  21           2HE      LYS  21  -0.045  12.590  -6.354
  151    HE3  LYS  21           3HE      LYS  21  -1.147  11.987  -7.603
  152    HZ1  LYS  21           3HZ      LYS  21  -2.792  13.530  -6.944
  153    HZ2  LYS  21           1HZ      LYS  21  -1.996  13.993  -5.612
  154    HZ3  LYS  21           2HZ      LYS  21  -1.398  14.396  -7.102
  155    H    TYR  22           H        TYR  22   0.075   6.367  -4.193
  156    HA   TYR  22           HA       TYR  22  -1.742   4.814  -2.477
  157    HD1  TYR  22           HD1      TYR  22   1.634   4.236  -5.139
  158    HD2  TYR  22           HD2      TYR  22   0.214   1.570  -2.068
  159    HE1  TYR  22           HE1      TYR  22   3.965   3.631  -4.595
  160    HE2  TYR  22           HE2      TYR  22   2.543   0.943  -1.522
  161    HH   TYR  22           HH       TYR  22   5.341   2.492  -3.071
  162    HB2  TYR  22           2HB      TYR  22  -1.304   2.787  -3.394
  163    HB3  TYR  22           3HB      TYR  22  -0.844   3.662  -4.832
  164    H    VAL  23           H        VAL  23  -0.453   3.698  -0.715
  165    HA   VAL  23           HA       VAL  23   2.203   4.856  -0.222
  166    HB   VAL  23           HB       VAL  23   1.656   5.184   2.192
  167   HG11  VAL  23          1HG1      VAL  23   0.142   6.997   0.285
  168   HG12  VAL  23          2HG1      VAL  23   0.606   7.390   1.958
  169   HG13  VAL  23          3HG1      VAL  23   1.852   7.113   0.736
  170   HG21  VAL  23          3HG2      VAL  23  -1.239   4.934   1.292
  171   HG22  VAL  23          1HG2      VAL  23  -0.382   3.855   2.384
  172   HG23  VAL  23          2HG2      VAL  23  -0.695   5.538   2.869
  173    H    LEU  24           H        LEU  24   3.438   3.690   1.267
  174    HA   LEU  24           HA       LEU  24   2.767   0.784   1.337
  175    HG   LEU  24           HG       LEU  24   6.474   0.102   0.905
  176    HB2  LEU  24           2HB      LEU  24   4.803   1.741   0.032
  177    HB3  LEU  24           3HB      LEU  24   5.496   2.131   1.588
  178   HD11  LEU  24          1HD1      LEU  24   4.267  -0.949   2.712
  179   HD12  LEU  24          2HD1      LEU  24   5.935  -1.524   2.539
  180   HD13  LEU  24          3HD1      LEU  24   5.625   0.042   3.300
  181   HD21  LEU  24          3HD2      LEU  24   3.687  -0.928   0.247
  182   HD22  LEU  24          1HD2      LEU  24   4.949  -0.424  -0.895
  183   HD23  LEU  24          2HD2      LEU  24   5.192  -1.859   0.111
  184    H    ILE  25           H        ILE  25   2.131   0.218   3.464
  185    HA   ILE  25           HA       ILE  25   3.112   1.981   5.680
  186    HB   ILE  25           HB       ILE  25   0.341   0.870   5.185
  187   HG12  ILE  25          2HG1      ILE  25   1.367   3.699   5.723
  188   HG13  ILE  25          3HG1      ILE  25   1.006   3.061   4.122
  189   HG21  ILE  25          1HG2      ILE  25   1.435   2.157   7.732
  190   HG22  ILE  25          2HG2      ILE  25  -0.273   1.750   7.436
  191   HG23  ILE  25          3HG2      ILE  25   0.904   0.469   7.567
  192   HD11  ILE  25          3HD1      ILE  25  -1.367   2.740   4.772
  193   HD12  ILE  25          1HD1      ILE  25  -1.021   3.492   6.354
  194   HD13  ILE  25          2HD1      ILE  25  -0.841   4.429   4.878
  195    H    ARG  26           H        ARG  26   4.374   0.992   6.990
  196    HA   ARG  26           HA       ARG  26   4.482  -1.945   7.224
  197    HE   ARG  26           HE       ARG  26   7.211  -0.370  11.098
  198    HB2  ARG  26           2HB      ARG  26   6.516  -0.431   7.373
  199    HB3  ARG  26           3HB      ARG  26   5.843   0.252   8.854
  200    HG2  ARG  26           2HG      ARG  26   5.919  -2.019   9.913
  201    HG3  ARG  26           3HG      ARG  26   6.535  -2.693   8.396
  202    HD2  ARG  26           2HD      ARG  26   8.389  -2.358   9.911
  203    HD3  ARG  26           3HD      ARG  26   8.531  -1.220   8.563
  204   HH11  ARG  26          1HH2      ARG  26  10.119  -0.113   9.066
  205   HH12  ARG  26          2HH2      ARG  26  10.709   1.297   9.863
  206   HH21  ARG  26          1HH1      ARG  26   8.003   1.445  12.169
  207   HH22  ARG  26          2HH1      ARG  26   9.475   2.202  11.683
  208    H    VAL  27           H        VAL  27   3.582  -2.999   9.033
  209    HA   VAL  27           HA       VAL  27   2.074  -1.422  11.008
  210    HB   VAL  27           HB       VAL  27   0.475  -1.834   9.275
  211   HG11  VAL  27          1HG1      VAL  27   1.221  -4.770   9.360
  212   HG12  VAL  27          2HG1      VAL  27  -0.185  -4.103   8.507
  213   HG13  VAL  27          3HG1      VAL  27   1.442  -3.656   7.993
  214   HG21  VAL  27          3HG2      VAL  27  -0.023  -3.876  11.472
  215   HG22  VAL  27          1HG2      VAL  27  -0.257  -2.123  11.615
  216   HG23  VAL  27          2HG2      VAL  27  -1.231  -3.055  10.467
  217    H    HIS  28           H        HIS  28   1.899  -2.520  12.991
  218    HA   HIS  28           HA       HIS  28   3.756  -4.845  13.338
  219    HD1  HIS  28           HD1      HIS  28   6.541  -3.979  13.617
  220    HD2  HIS  28           HD2      HIS  28   4.292  -0.416  13.608
  221    HE1  HIS  28           HE1      HIS  28   7.998  -2.217  12.516
  222    HB2  HIS  28           2HB      HIS  28   3.322  -2.389  15.090
  223    HB3  HIS  28           3HB      HIS  28   4.411  -3.731  15.435
  224    H    SER  29           H        SER  29   3.124  -6.372  14.907
  225    HA   SER  29           HA       SER  29   0.394  -6.706  15.487
  226    HG   SER  29           HG       SER  29   1.784  -9.683  15.382
  227    HB2  SER  29           2HB      SER  29   2.838  -7.894  16.834
  228    HB3  SER  29           3HB      SER  29   1.166  -8.459  17.028
  229    H    ALA  30           H        ALA  30  -0.565  -5.015  16.476
  230    HA   ALA  30           HA       ALA  30  -0.264  -4.977  19.383
  231    HB1  ALA  30           3HB      ALA  30   1.046  -3.019  18.594
  232    HB2  ALA  30           1HB      ALA  30  -0.385  -2.407  17.739
  233    HB3  ALA  30           2HB      ALA  30  -0.384  -2.524  19.508
  234    HA   PRO  31           HA       PRO  31  -4.687  -4.545  17.303
  235    HB2  PRO  31           2HB      PRO  31  -4.902  -7.476  18.036
  236    HB3  PRO  31           3HB      PRO  31  -5.798  -6.558  16.783
  237    HG2  PRO  31           2HG      PRO  31  -3.628  -8.114  16.169
  238    HG3  PRO  31           3HG      PRO  31  -3.951  -6.566  15.332
  239    HD2  PRO  31           2HD      PRO  31  -1.916  -7.197  17.427
  240    HD3  PRO  31           3HD      PRO  31  -1.901  -6.016  16.083
  241    H    ARG  32           H        ARG  32  -6.597  -4.358  18.574
  242    HA   ARG  32           HA       ARG  32  -7.631  -3.629  20.398
  243    HE   ARG  32           HE       ARG  32  -9.207  -6.556  24.452
  244    HB2  ARG  32           2HB      ARG  32  -7.391  -6.343  20.665
  245    HB3  ARG  32           3HB      ARG  32  -6.719  -5.851  22.196
  246    HG2  ARG  32           2HG      ARG  32  -9.385  -4.757  21.197
  247    HG3  ARG  32           3HG      ARG  32  -9.290  -6.363  21.890
  248    HD2  ARG  32           2HD      ARG  32  -8.442  -3.859  23.402
  249    HD3  ARG  32           3HD      ARG  32 -10.036  -4.571  23.459
  250   HH11  ARG  32          1HH2      ARG  32  -6.702  -4.030  24.347
  251   HH12  ARG  32          2HH2      ARG  32  -5.954  -4.538  25.825
  252   HH21  ARG  32          1HH1      ARG  32  -8.111  -7.315  26.297
  253   HH22  ARG  32          2HH1      ARG  32  -6.709  -6.508  26.885
  254    H    SER  33           H        SER  33  -4.542  -3.054  20.146
  255    HA   SER  33           HA       SER  33  -2.903  -2.063  21.237
  256    HG   SER  33           HG       SER  33  -5.004   0.776  21.616
  257    HB2  SER  33           2HB      SER  33  -5.002  -0.972  23.142
  258    HB3  SER  33           3HB      SER  33  -3.397  -0.303  22.803
  259    H    GLY  34           H        GLY  34  -3.583  -4.839  21.938
  260    HA2  GLY  34           2HA      GLY  34  -2.021  -5.062  24.408
  261    HA3  GLY  34           1HA      GLY  34  -3.726  -5.489  24.576
  262    H    ALA  35           H        ALA  35  -2.924  -6.455  21.432
  263    HA   ALA  35           HA       ALA  35  -2.943  -9.191  21.973
  264    HB1  ALA  35           3HB      ALA  35  -3.411  -8.224  19.764
  265    HB2  ALA  35           1HB      ALA  35  -1.706  -7.719  19.612
  266    HB3  ALA  35           2HB      ALA  35  -2.129  -9.443  19.642
  267    HA   PRO  36           HA       PRO  36   1.149  -9.808  23.540
  268    HB2  PRO  36           2HB      PRO  36   1.400 -12.526  23.497
  269    HB3  PRO  36           3HB      PRO  36   0.212 -11.682  24.535
  270    HG2  PRO  36           2HG      PRO  36  -0.263 -12.934  21.807
  271    HG3  PRO  36           3HG      PRO  36  -1.213 -13.167  23.310
  272    HD2  PRO  36           2HD      PRO  36  -1.959 -11.368  21.397
  273    HD3  PRO  36           3HD      PRO  36  -2.188 -11.029  23.139
  274    H    ALA  37           H        ALA  37   0.479 -10.824  20.251
  275    HA   ALA  37           HA       ALA  37   3.071 -11.825  19.545
  276    HB1  ALA  37           3HB      ALA  37   1.059 -12.302  18.218
  277    HB2  ALA  37           1HB      ALA  37   0.874 -10.578  17.830
  278    HB3  ALA  37           2HB      ALA  37   2.273 -11.489  17.218
  279    H    ALA  38           H        ALA  38   4.640 -10.763  18.114
  280    HA   ALA  38           HA       ALA  38   4.713  -7.810  18.131
  281    HB1  ALA  38           3HB      ALA  38   5.844  -8.561  20.230
  282    HB2  ALA  38           1HB      ALA  38   6.950  -9.560  19.255
  283    HB3  ALA  38           2HB      ALA  38   6.967  -7.788  19.100
  284    H    GLU  39           H        GLU  39   4.204  -9.706  16.041
  285    HA   GLU  39           HA       GLU  39   6.614  -9.734  14.359
  286    HB2  GLU  39           2HB      GLU  39   3.717 -10.510  13.787
  287    HB3  GLU  39           3HB      GLU  39   5.054 -10.702  12.659
  288    HG2  GLU  39           2HG      GLU  39   4.735 -12.132  15.330
  289    HG3  GLU  39           3HG      GLU  39   4.494 -12.821  13.733
  290    H    SER  40           H        SER  40   6.052  -8.860  12.000
  291    HA   SER  40           HA       SER  40   4.531  -6.360  12.016
  292    HG   SER  40           HG       SER  40   8.058  -5.677  12.933
  293    HB2  SER  40           2HB      SER  40   7.408  -6.426  11.075
  294    HB3  SER  40           3HB      SER  40   6.348  -5.020  11.159
  295    H    LYS  41           H        LYS  41   4.256  -5.567   9.794
  296    HA   LYS  41           HA       LYS  41   4.600  -7.459   7.565
  297    HB2  LYS  41           2HB      LYS  41   2.622  -8.361   8.507
  298    HB3  LYS  41           3HB      LYS  41   1.993  -6.792   8.980
  299    HG2  LYS  41           2HG      LYS  41   1.402  -6.236   6.702
  300    HG3  LYS  41           3HG      LYS  41   2.180  -7.730   6.098
  301    HD2  LYS  41           2HD      LYS  41   0.556  -9.037   7.470
  302    HD3  LYS  41           3HD      LYS  41  -0.227  -7.498   7.932
  303    HE2  LYS  41           2HE      LYS  41  -1.010  -7.079   5.777
  304    HE3  LYS  41           3HE      LYS  41   0.116  -8.209   5.005
  305    HZ1  LYS  41           3HZ      LYS  41  -1.158 -10.021   5.707
  306    HZ2  LYS  41           1HZ      LYS  41  -1.958  -9.179   6.863
  307    HZ3  LYS  41           2HZ      LYS  41  -2.330  -8.936   5.301
  308    H    GLU  42           H        GLU  42   3.773  -6.317   5.525
  309    HA   GLU  42           HA       GLU  42   3.597  -3.363   5.814
  310    HB2  GLU  42           2HB      GLU  42   5.065  -4.868   3.601
  311    HB3  GLU  42           3HB      GLU  42   4.702  -3.155   3.637
  312    HG2  GLU  42           2HG      GLU  42   6.940  -3.249   4.273
  313    HG3  GLU  42           3HG      GLU  42   6.075  -2.980   5.777
  314    H    ILE  43           H        ILE  43   1.693  -2.685   4.999
  315    HA   ILE  43           HA       ILE  43   0.251  -4.392   3.028
  316    HB   ILE  43           HB       ILE  43  -1.779  -3.172   3.762
  317   HG12  ILE  43          2HG1      ILE  43  -0.129  -2.149   6.112
  318   HG13  ILE  43          3HG1      ILE  43  -0.662  -1.161   4.749
  319   HG21  ILE  43          1HG2      ILE  43  -0.362  -4.690   5.986
  320   HG22  ILE  43          2HG2      ILE  43  -2.114  -4.545   5.736
  321   HG23  ILE  43          3HG2      ILE  43  -1.141  -5.420   4.558
  322   HD11  ILE  43          3HD1      ILE  43  -3.041  -1.630   5.345
  323   HD12  ILE  43          1HD1      ILE  43  -2.487  -2.530   6.775
  324   HD13  ILE  43          2HD1      ILE  43  -2.147  -0.807   6.632
  325    H    VAL  44           H        VAL  44  -0.792  -3.399   1.304
  326    HA   VAL  44           HA       VAL  44   0.440  -0.840   0.366
  327    HB   VAL  44           HB       VAL  44  -0.578  -3.227  -1.241
  328   HG11  VAL  44          1HG1      VAL  44   1.189  -0.908  -2.101
  329   HG12  VAL  44          2HG1      VAL  44   0.627  -2.245  -3.120
  330   HG13  VAL  44          3HG1      VAL  44  -0.539  -1.077  -2.490
  331   HG21  VAL  44          3HG2      VAL  44   2.299  -2.588  -0.487
  332   HG22  VAL  44          1HG2      VAL  44   1.366  -4.018   0.006
  333   HG23  VAL  44          2HG2      VAL  44   1.795  -3.795  -1.686
  334    H    ARG  45           H        ARG  45  -1.059   0.810   0.331
  335    HA   ARG  45           HA       ARG  45  -3.938   0.207  -0.240
  336    HE   ARG  45           HE       ARG  45  -4.311  -1.579   0.794
  337    HB2  ARG  45           2HB      ARG  45  -2.782   2.149   1.821
  338    HB3  ARG  45           3HB      ARG  45  -4.469   2.100   1.346
  339    HG2  ARG  45           2HG      ARG  45  -2.979  -0.075   2.876
  340    HG3  ARG  45           3HG      ARG  45  -4.126   1.088   3.508
  341    HD2  ARG  45           2HD      ARG  45  -5.553  -0.648   3.337
  342    HD3  ARG  45           3HD      ARG  45  -5.782   0.058   1.738
  343   HH11  ARG  45          1HH2      ARG  45  -5.406  -2.456   4.095
  344   HH12  ARG  45          2HH2      ARG  45  -4.588  -3.994   4.038
  345   HH21  ARG  45          1HH1      ARG  45  -3.163  -3.472   0.884
  346   HH22  ARG  45          2HH1      ARG  45  -3.379  -4.605   2.212
  347    H    GLY  46           H        GLY  46  -4.952   1.823  -1.568
  348    HA2  GLY  46           2HA      GLY  46  -3.979   4.433  -1.938
  349    HA3  GLY  46           1HA      GLY  46  -3.290   3.431  -3.225
  350    H    TYR  47           H        TYR  47  -5.434   5.621  -3.169
  351    HA   TYR  47           HA       TYR  47  -7.471   4.212  -4.751
  352    HD1  TYR  47           HD1      TYR  47  -9.489   2.437  -3.185
  353    HD2  TYR  47           HD2      TYR  47  -6.878   4.697  -0.602
  354    HE1  TYR  47           HE1      TYR  47  -9.306   0.478  -1.677
  355    HE2  TYR  47           HE2      TYR  47  -6.717   2.748   0.942
  356    HH   TYR  47           HH       TYR  47  -8.372  -0.378   0.266
  357    HB2  TYR  47           2HB      TYR  47  -8.235   5.800  -2.270
  358    HB3  TYR  47           3HB      TYR  47  -9.315   4.917  -3.336
  359    H    LYS  48           H        LYS  48  -8.770   5.682  -5.936
  360    HA   LYS  48           HA       LYS  48  -7.607   8.129  -6.742
  361    HB2  LYS  48           2HB      LYS  48 -10.455   7.059  -6.963
  362    HB3  LYS  48           3HB      LYS  48  -9.956   8.608  -7.657
  363    HG2  LYS  48           2HG      LYS  48  -8.212   7.513  -8.983
  364    HG3  LYS  48           3HG      LYS  48  -8.671   5.925  -8.338
  365    HD2  LYS  48           2HD      LYS  48 -10.859   6.047  -9.350
  366    HD3  LYS  48           3HD      LYS  48 -10.629   7.731  -9.829
  367    HE2  LYS  48           2HE      LYS  48  -8.996   5.372 -10.878
  368    HE3  LYS  48           3HE      LYS  48 -10.379   6.104 -11.702
  369    HZ1  LYS  48           3HZ      LYS  48  -9.088   8.240 -11.640
  370    HZ2  LYS  48           1HZ      LYS  48  -7.765   7.381 -11.158
  371    HZ3  LYS  48           2HZ      LYS  48  -8.470   7.100 -12.613
  372    H    TRP  49           H        TRP  49  -9.974   7.567  -4.079
  373    HA   TRP  49           HA       TRP  49 -10.546  10.341  -3.767
  374    HD1  TRP  49           HD1      TRP  49 -12.553   6.509  -2.743
  375    HE1  TRP  49           HE1      TRP  49 -11.907   4.557  -1.241
  376    HE3  TRP  49           HE3      TRP  49  -8.930   8.807   0.060
  377    HZ2  TRP  49           HZ2      TRP  49 -10.053   4.048   0.947
  378    HZ3  TRP  49           HZ3      TRP  49  -7.632   7.524   1.710
  379    HH2  TRP  49           HH2      TRP  49  -8.136   5.105   2.114
  380    HB2  TRP  49           2HB      TRP  49 -11.323   9.690  -1.466
  381    HB3  TRP  49           3HB      TRP  49 -12.118   8.971  -2.842
  382    H    ALA  50           H        ALA  50  -7.729   8.474  -2.732
  383    HA   ALA  50           HA       ALA  50  -6.852  10.651  -0.956
  384    HB1  ALA  50           3HB      ALA  50  -6.411   8.469  -0.141
  385    HB2  ALA  50           1HB      ALA  50  -5.567   8.001  -1.651
  386    HB3  ALA  50           2HB      ALA  50  -4.896   9.259  -0.576
  387    H    GLU  51           H        GLU  51  -7.045  12.135  -2.848
  388    HA   GLU  51           HA       GLU  51  -5.162  11.985  -4.995
  389    HB2  GLU  51           2HB      GLU  51  -7.336  13.279  -4.895
  390    HB3  GLU  51           3HB      GLU  51  -6.577  14.415  -3.788
  391    HG2  GLU  51           2HG      GLU  51  -6.691  15.311  -6.048
  392    HG3  GLU  51           3HG      GLU  51  -5.020  15.136  -5.563
  393    H    TYR  52           H        TYR  52  -4.528  12.389  -1.710
  394    HA   TYR  52           HA       TYR  52  -1.846  13.414  -2.233
  395    HD1  TYR  52           HD1      TYR  52  -4.826  15.626  -2.165
  396    HD2  TYR  52           HD2      TYR  52  -3.726  14.478   1.828
  397    HE1  TYR  52           HE1      TYR  52  -7.087  16.307  -1.364
  398    HE2  TYR  52           HE2      TYR  52  -5.964  15.158   2.658
  399    HH   TYR  52           HH       TYR  52  -8.500  16.498   0.482
  400    HB2  TYR  52           2HB      TYR  52  -2.064  14.617   0.081
  401    HB3  TYR  52           3HB      TYR  52  -2.452  15.417  -1.426
  402    H    HIS  53           H        HIS  53  -0.331  12.582  -0.458
  403    HA   HIS  53           HA       HIS  53  -1.134   9.779  -0.109
  404    HD2  HIS  53           HD2      HIS  53   0.535   8.221  -1.749
  405    HE1  HIS  53           HE1      HIS  53   2.474  11.074  -4.244
  406    HE2  HIS  53           HE2      HIS  53   1.487   8.719  -4.131
  407    HB2  HIS  53           2HB      HIS  53   1.468  11.244   0.519
  408    HB3  HIS  53           3HB      HIS  53   1.213   9.517   0.641
  409    H    ALA  54           H        ALA  54  -0.505  12.685   1.845
  410    HA   ALA  54           HA       ALA  54  -0.735  11.558   4.410
  411    HB1  ALA  54           3HB      ALA  54  -0.225  13.943   3.999
  412    HB2  ALA  54           1HB      ALA  54  -1.895  14.208   3.443
  413    HB3  ALA  54           2HB      ALA  54  -1.580  13.759   5.130
  414    H    ASP  55           H        ASP  55  -3.350  11.869   1.984
  415    HA   ASP  55           HA       ASP  55  -5.487  11.791   3.907
  416    HB2  ASP  55           2HB      ASP  55  -5.664  12.446   1.404
  417    HB3  ASP  55           3HB      ASP  55  -5.655  10.739   1.067
  418    H    ILE  56           H        ILE  56  -3.902   9.245   1.901
  419    HA   ILE  56           HA       ILE  56  -5.455   7.135   3.100
  420    HB   ILE  56           HB       ILE  56  -3.259   5.799   2.215
  421   HG12  ILE  56          2HG1      ILE  56  -3.260   8.312   0.551
  422   HG13  ILE  56          3HG1      ILE  56  -1.937   7.400   1.260
  423   HG21  ILE  56          1HG2      ILE  56  -5.655   6.492   0.531
  424   HG22  ILE  56          2HG2      ILE  56  -4.627   5.045   0.421
  425   HG23  ILE  56          3HG2      ILE  56  -5.607   5.303   1.850
  426   HD11  ILE  56          3HD1      ILE  56  -2.414   5.586  -0.443
  427   HD12  ILE  56          1HD1      ILE  56  -3.663   6.629  -1.142
  428   HD13  ILE  56          2HD1      ILE  56  -1.968   7.149  -1.164
  429    H    TYR  57           H        TYR  57  -2.228   8.605   3.881
  430    HA   TYR  57           HA       TYR  57  -1.706   6.541   5.781
  431    HD1  TYR  57           HD2      TYR  57   0.199   5.805   6.670
  432    HD2  TYR  57           HD1      TYR  57   0.410   9.950   7.855
  433    HE1  TYR  57           HE2      TYR  57   1.351   5.139   8.745
  434    HE2  TYR  57           HE1      TYR  57   1.587   9.296   9.928
  435    HH   TYR  57           HH       TYR  57   2.441   7.526  11.197
  436    HB2  TYR  57           2HB      TYR  57   0.069   8.030   4.981
  437    HB3  TYR  57           3HB      TYR  57  -0.678   9.394   5.810
  438    H    ASP  58           H        ASP  58  -3.447   9.703   6.172
  439    HA   ASP  58           HA       ASP  58  -3.907   9.393   8.956
  440    HB2  ASP  58           2HB      ASP  58  -4.259  11.516   7.827
  441    HB3  ASP  58           3HB      ASP  58  -5.543  10.822   6.831
  442    H    LYS  59           H        LYS  59  -5.950   8.463   6.143
  443    HA   LYS  59           HA       LYS  59  -8.139   7.306   7.538
  444    HB2  LYS  59           2HB      LYS  59  -8.023   7.867   5.093
  445    HB3  LYS  59           3HB      LYS  59  -6.861   6.576   4.868
  446    HG2  LYS  59           2HG      LYS  59  -8.810   5.594   4.148
  447    HG3  LYS  59           3HG      LYS  59  -8.646   4.965   5.769
  448    HD2  LYS  59           2HD      LYS  59 -10.957   5.518   5.279
  449    HD3  LYS  59           3HD      LYS  59 -10.342   6.546   6.578
  450    HE2  LYS  59           2HE      LYS  59 -11.664   7.934   5.171
  451    HE3  LYS  59           3HE      LYS  59  -9.985   8.381   4.880
  452    HZ1  LYS  59           3HZ      LYS  59 -10.068   7.086   2.819
  453    HZ2  LYS  59           1HZ      LYS  59 -11.615   6.627   3.127
  454    HZ3  LYS  59           2HZ      LYS  59 -11.265   8.191   2.835
  455    H    VAL  60           H        VAL  60  -5.215   5.655   6.214
  456    HA   VAL  60           HA       VAL  60  -6.166   3.134   7.216
  457    HB   VAL  60           HB       VAL  60  -3.499   3.930   5.995
  458   HG11  VAL  60          1HG1      VAL  60  -4.740   1.170   6.443
  459   HG12  VAL  60          2HG1      VAL  60  -3.238   1.493   5.541
  460   HG13  VAL  60          3HG1      VAL  60  -3.316   1.808   7.272
  461   HG21  VAL  60          3HG2      VAL  60  -5.836   2.508   4.643
  462   HG22  VAL  60          1HG2      VAL  60  -5.608   4.256   4.537
  463   HG23  VAL  60          2HG2      VAL  60  -4.366   3.208   3.900
  464    H    SER  61           H        SER  61  -3.510   5.421   8.329
  465    HA   SER  61           HA       SER  61  -2.686   3.611  10.384
  466    HG   SER  61           HG       SER  61  -0.435   5.937  11.474
  467    HB2  SER  61           2HB      SER  61  -1.410   5.618   9.499
  468    HB3  SER  61           3HB      SER  61  -2.466   6.638  10.501
  469    H    GLY  62           H        GLY  62  -5.258   6.145  10.219
  470    HA2  GLY  62           2HA      GLY  62  -6.118   6.017  12.912
  471    HA3  GLY  62           1HA      GLY  62  -7.114   6.414  11.496
  472    H    ASP  63           H        ASP  63  -7.249   4.093  10.020
  473    HA   ASP  63           HA       ASP  63  -9.079   2.518  11.489
  474    HB2  ASP  63           2HB      ASP  63  -9.079   2.712   9.026
  475    HB3  ASP  63           3HB      ASP  63  -7.602   1.745   8.956
  476    H    MET  64           H        MET  64  -5.665   1.800  10.602
  477    HA   MET  64           HA       MET  64  -5.485  -0.733  11.834
  478    HB2  MET  64           2HB      MET  64  -3.383   1.457  11.496
  479    HB3  MET  64           3HB      MET  64  -3.030  -0.182  12.004
  480    HG2  MET  64           2HG      MET  64  -4.365   0.468   9.348
  481    HG3  MET  64           3HG      MET  64  -2.653   0.202   9.554
  482    HE1  MET  64           3HE      MET  64  -6.210  -1.306   9.766
  483    HE2  MET  64           1HE      MET  64  -5.535  -1.277   8.107
  484    HE3  MET  64           2HE      MET  64  -5.882  -2.828   8.902
  485    H    GLN  65           H        GLN  65  -4.844   2.542  13.265
  486    HA   GLN  65           HA       GLN  65  -4.244   1.504  15.837
  487    HB2  GLN  65           2HB      GLN  65  -5.078   4.209  14.757
  488    HB3  GLN  65           3HB      GLN  65  -4.789   3.952  16.483
  489    HG2  GLN  65           2HG      GLN  65  -2.476   3.249  16.039
  490    HG3  GLN  65           3HG      GLN  65  -2.721   3.371  14.302
  491   HE21  GLN  65          2HE2      GLN  65  -2.062   5.335  13.367
  492   HE22  GLN  65          1HE2      GLN  65  -1.902   6.827  14.258
  493    H    LYS  66           H        LYS  66  -7.395   2.355  14.337
  494    HA   LYS  66           HA       LYS  66  -8.886   1.983  16.793
  495    HB2  LYS  66           2HB      LYS  66  -9.660   1.923  13.852
  496    HB3  LYS  66           3HB      LYS  66 -10.817   1.589  15.146
  497    HG2  LYS  66           2HG      LYS  66 -10.396   3.759  16.179
  498    HG3  LYS  66           3HG      LYS  66  -9.176   4.161  14.980
  499    HD2  LYS  66           2HD      LYS  66 -12.118   3.664  14.361
  500    HD3  LYS  66           3HD      LYS  66 -11.392   5.253  14.629
  501    HE2  LYS  66           2HE      LYS  66  -9.876   4.898  12.670
  502    HE3  LYS  66           3HE      LYS  66 -10.645   3.332  12.382
  503    HZ1  LYS  66           3HZ      LYS  66 -12.739   4.499  12.008
  504    HZ2  LYS  66           1HZ      LYS  66 -12.032   5.947  12.277
  505    HZ3  LYS  66           2HZ      LYS  66 -11.598   5.054  10.987
  506    H    GLN  67           H        GLN  67  -7.737  -0.315  14.240
  507    HA   GLN  67           HA       GLN  67  -8.919  -2.592  15.625
  508    HB2  GLN  67           2HB      GLN  67  -6.646  -2.463  13.589
  509    HB3  GLN  67           3HB      GLN  67  -7.409  -3.929  14.198
  510    HG2  GLN  67           2HG      GLN  67  -9.609  -3.128  13.280
  511    HG3  GLN  67           3HG      GLN  67  -8.784  -1.737  12.584
  512   HE21  GLN  67          2HE2      GLN  67  -8.546  -2.057  10.323
  513   HE22  GLN  67          1HE2      GLN  67  -8.139  -3.612   9.635
  514    H    GLY  68           H        GLY  68  -6.206  -0.572  16.253
  515    HA2  GLY  68           2HA      GLY  68  -5.281  -0.613  18.488
  516    HA3  GLY  68           1HA      GLY  68  -5.219  -2.376  18.399
  517    H    CYS  69           H        CYS  69  -4.355  -1.999  15.454
  518    HA   CYS  69           HA       CYS  69  -1.641  -2.678  15.826
  519    HG   CYS  69           HG       CYS  69  -3.232  -4.282  12.590
  520    HB2  CYS  69           2HB      CYS  69  -3.283  -1.799  13.424
  521    HB3  CYS  69           3HB      CYS  69  -1.615  -2.353  13.299
  522    H    ASP  70           H        ASP  70   0.264  -1.602  15.216
  523    HA   ASP  70           HA       ASP  70   0.167   1.388  15.325
  524    HB2  ASP  70           2HB      ASP  70   1.266   0.428  17.269
  525    HB3  ASP  70           3HB      ASP  70   2.259  -0.614  16.250
  526    H    CYS  71           H        CYS  71   1.424   2.485  13.710
  527    HA   CYS  71           HA       CYS  71   2.383   0.803  11.459
  528    HG   CYS  71           HG       CYS  71  -1.300   1.228  10.142
  529    HB2  CYS  71           2HB      CYS  71   0.206   2.949  11.424
  530    HB3  CYS  71           3HB      CYS  71   0.978   2.330   9.969
  531    H    GLU  72           H        GLU  72   3.496   2.001   9.747
  532    HA   GLU  72           HA       GLU  72   4.192   4.812  10.180
  533    HB2  GLU  72           2HB      GLU  72   5.978   3.592  11.384
  534    HB3  GLU  72           3HB      GLU  72   6.159   2.470  10.036
  535    HG2  GLU  72           2HG      GLU  72   7.977   3.954   9.920
  536    HG3  GLU  72           3HG      GLU  72   6.905   4.368   8.595
  537    H    CYS  73           H        CYS  73   4.067   5.759   8.090
  538    HA   CYS  73           HA       CYS  73   3.773   4.024   5.738
  539    HG   CYS  73           HG       CYS  73   3.054   8.468   5.774
  540    HB2  CYS  73           2HB      CYS  73   3.810   6.295   4.528
  541    HB3  CYS  73           3HB      CYS  73   2.413   5.932   5.529
  542    H    LEU  74           H        LEU  74   5.527   3.169   4.773
  543    HA   LEU  74           HA       LEU  74   8.229   4.094   5.395
  544    HG   LEU  74           HG       LEU  74   6.772   1.129   5.460
  545    HB2  LEU  74           2HB      LEU  74   7.246   2.109   3.299
  546    HB3  LEU  74           3HB      LEU  74   8.920   2.412   3.739
  547   HD11  LEU  74          1HD1      LEU  74   9.476   0.096   4.497
  548   HD12  LEU  74          2HD1      LEU  74   8.251  -0.815   5.407
  549   HD13  LEU  74          3HD1      LEU  74   7.919  -0.294   3.750
  550   HD21  LEU  74          3HD2      LEU  74   9.589   1.963   6.285
  551   HD22  LEU  74          1HD2      LEU  74   8.051   2.509   7.000
  552   HD23  LEU  74          2HD2      LEU  74   8.563   0.838   7.197
  553    H    GLY  75           H        GLY  75   5.780   4.802   2.962
  554    HA2  GLY  75           2HA      GLY  75   6.788   7.251   2.288
  555    HA3  GLY  75           1HA      GLY  75   7.509   6.166   1.092
  556    H    GLY  76           H        GLY  76   6.119   7.637  -0.303
  557    HA2  GLY  76           2HA      GLY  76   3.519   6.292  -0.804
  558    HA3  GLY  76           1HA      GLY  76   3.608   8.055  -0.810
  559    H    GLY  77           H        GLY  77   2.750   6.791  -3.033
  560    HA2  GLY  77           2HA      GLY  77   4.547   7.638  -5.112
  561    HA3  GLY  77           1HA      GLY  77   4.516   5.878  -4.951
  562    H    ARG  78           H        ARG  78   3.527   5.912  -7.117
  563    HA   ARG  78           HA       ARG  78   0.589   6.363  -7.114
  564    HE   ARG  78           HE       ARG  78   0.135   7.656 -12.248
  565    HB2  ARG  78           2HB      ARG  78   1.346   8.414  -8.000
  566    HB3  ARG  78           3HB      ARG  78   2.727   7.673  -8.822
  567    HG2  ARG  78           2HG      ARG  78   1.294   6.669 -10.505
  568    HG3  ARG  78           3HG      ARG  78  -0.164   7.279  -9.690
  569    HD2  ARG  78           2HD      ARG  78   0.450   9.553 -10.138
  570    HD3  ARG  78           3HD      ARG  78   2.052   9.061 -10.751
  571   HH11  ARG  78          1HH1      ARG  78   1.099  11.055 -11.832
  572   HH12  ARG  78          2HH1      ARG  78   0.622  11.528 -13.420
  573   HH21  ARG  78          1HH2      ARG  78  -0.521   8.290 -14.342
  574   HH22  ARG  78          2HH2      ARG  78  -0.281   9.907 -14.894
  575    H    ILE  79           H        ILE  79  -0.487   5.150  -8.708
  576    HA   ILE  79           HA       ILE  79   1.113   3.059 -10.054
  577    HB   ILE  79           HB       ILE  79  -1.604   2.643  -8.747
  578   HG12  ILE  79          2HG1      ILE  79   1.155   1.661  -7.913
  579   HG13  ILE  79          3HG1      ILE  79   0.146   2.797  -7.025
  580   HG21  ILE  79          1HG2      ILE  79   0.244   0.660 -10.173
  581   HG22  ILE  79          2HG2      ILE  79  -1.320   0.273  -9.417
  582   HG23  ILE  79          3HG2      ILE  79  -1.270   1.305 -10.829
  583   HD11  ILE  79          3HD1      ILE  79  -1.529   0.993  -6.644
  584   HD12  ILE  79          1HD1      ILE  79  -0.409  -0.160  -7.403
  585   HD13  ILE  79          2HD1      ILE  79   0.057   0.682  -5.921
  586    H    SER  80           H        SER  80   0.533   2.796 -12.168
  587    HA   SER  80           HA       SER  80  -1.937   4.017 -13.232
  588    HG   SER  80           HG       SER  80   0.781   6.427 -13.998
  589    HB2  SER  80           2HB      SER  80   0.794   4.359 -14.513
  590    HB3  SER  80           3HB      SER  80  -0.736   4.991 -15.120
  591    H    HIS  81           H        HIS  81  -2.616   2.840 -15.164
  592    HA   HIS  81           HA       HIS  81  -1.619   0.107 -15.237
  593    HD1  HIS  81           HD1      HIS  81  -4.301  -1.927 -15.418
  594    HD2  HIS  81           HD2      HIS  81  -4.759   2.070 -14.185
  595    HE1  HIS  81           HE1      HIS  81  -5.751  -1.980 -13.327
  596    HB2  HIS  81           2HB      HIS  81  -3.778   1.559 -16.795
  597    HB3  HIS  81           3HB      HIS  81  -3.334  -0.121 -17.088
  598    H    GLN  82           H        GLN  82  -0.726   3.010 -16.917
  599    HA   GLN  82           HA       GLN  82   1.302   1.529 -18.429
  600    HB2  GLN  82           2HB      GLN  82  -0.600   3.592 -19.666
  601    HB3  GLN  82           3HB      GLN  82   0.901   3.064 -20.411
  602    HG2  GLN  82           2HG      GLN  82  -1.476   1.237 -19.862
  603    HG3  GLN  82           3HG      GLN  82  -1.148   2.047 -21.384
  604   HE21  GLN  82          2HE2      GLN  82  -0.125  -0.558 -19.247
  605   HE22  GLN  82          1HE2      GLN  82   0.991  -1.319 -20.369
  606    H    SER  83           H        SER  83   3.199   2.788 -18.495
  607    HA   SER  83           HA       SER  83   3.162   5.662 -17.911
  608    HG   SER  83           HG       SER  83   3.466   4.852 -14.512
  609    HB2  SER  83           2HB      SER  83   4.690   3.685 -16.164
  610    HB3  SER  83           3HB      SER  83   4.849   5.449 -16.110
  611    H    GLN  84           H        GLN  84   6.119   5.559 -17.476
  612    HA   GLN  84           HA       GLN  84   7.118   5.430 -20.112
  613    HB2  GLN  84           2HB      GLN  84   9.270   5.836 -19.112
  614    HB3  GLN  84           3HB      GLN  84   8.045   6.801 -18.325
  615    HG2  GLN  84           2HG      GLN  84   9.337   6.104 -16.532
  616    HG3  GLN  84           3HG      GLN  84   7.990   4.984 -16.471
  617   HE21  GLN  84          2HE2      GLN  84   8.970   3.141 -15.562
  618   HE22  GLN  84          1HE2      GLN  84  10.373   2.358 -16.263
  619    H    ASP  85           H        ASP  85   6.199   2.791 -18.224
  620    HA   ASP  85           HA       ASP  85   7.687   0.953 -19.989
  621    HB2  ASP  85           2HB      ASP  85   8.761   0.727 -17.790
  622    HB3  ASP  85           3HB      ASP  85   7.178   0.538 -17.021
  623    H    LYS  86           H        LYS  86   6.398  -0.878 -20.558
  624    HA   LYS  86           HA       LYS  86   3.618  -0.080 -20.853
  625    HB2  LYS  86           2HB      LYS  86   5.197  -2.415 -22.016
  626    HB3  LYS  86           3HB      LYS  86   3.544  -1.981 -22.465
  627    HG2  LYS  86           2HG      LYS  86   4.318   0.260 -23.212
  628    HG3  LYS  86           3HG      LYS  86   5.991  -0.202 -22.844
  629    HD2  LYS  86           2HD      LYS  86   5.837  -2.071 -24.470
  630    HD3  LYS  86           3HD      LYS  86   4.163  -1.601 -24.846
  631    HE2  LYS  86           2HE      LYS  86   4.963   0.635 -25.586
  632    HE3  LYS  86           3HE      LYS  86   6.627   0.166 -25.216
  633    HZ1  LYS  86           3HZ      LYS  86   6.449  -1.558 -26.916
  634    HZ2  LYS  86           1HZ      LYS  86   4.909  -1.124 -27.258
  635    HZ3  LYS  86           2HZ      LYS  86   6.135  -0.097 -27.561
  636    H    LYS  87           H        LYS  87   4.974  -1.835 -18.329
  637    HA   LYS  87           HA       LYS  87   2.613  -3.660 -18.092
  638    HB2  LYS  87           2HB      LYS  87   5.308  -3.494 -16.790
  639    HB3  LYS  87           3HB      LYS  87   3.999  -3.795 -15.689
  640    HG2  LYS  87           2HG      LYS  87   4.757  -5.897 -16.317
  641    HG3  LYS  87           3HG      LYS  87   3.215  -5.659 -17.124
  642    HD2  LYS  87           2HD      LYS  87   4.630  -6.738 -18.673
  643    HD3  LYS  87           3HD      LYS  87   4.511  -5.089 -19.260
  644    HE2  LYS  87           2HE      LYS  87   6.800  -5.888 -17.420
  645    HE3  LYS  87           3HE      LYS  87   6.819  -6.444 -19.089
  646    HZ1  LYS  87           3HZ      LYS  87   6.729  -4.146 -19.826
  647    HZ2  LYS  87           1HZ      LYS  87   6.785  -3.578 -18.281
  648    HZ3  LYS  87           2HZ      LYS  87   8.032  -4.408 -18.898
  649    H    ILE  88           H        ILE  88   1.713  -3.544 -15.715
  650    HA   ILE  88           HA       ILE  88   0.598  -0.888 -15.193
  651    HB   ILE  88           HB       ILE  88   0.768  -3.453 -13.533
  652   HG12  ILE  88          2HG1      ILE  88  -1.543  -2.290 -15.162
  653   HG13  ILE  88          3HG1      ILE  88  -0.584  -3.702 -15.601
  654   HG21  ILE  88          1HG2      ILE  88  -0.928  -0.966 -13.039
  655   HG22  ILE  88          2HG2      ILE  88  -0.880  -2.439 -12.039
  656   HG23  ILE  88          3HG2      ILE  88   0.532  -1.402 -12.129
  657   HD11  ILE  88          3HD1      ILE  88  -1.376  -4.854 -13.515
  658   HD12  ILE  88          1HD1      ILE  88  -2.494  -3.491 -13.249
  659   HD13  ILE  88          2HD1      ILE  88  -2.647  -4.489 -14.700
  660    H    HIS  89           H        HIS  89   1.693   0.698 -13.923
  661    HA   HIS  89           HA       HIS  89   4.450  -0.124 -13.106
  662    HD1  HIS  89           HD1      HIS  89   6.522  -0.122 -14.595
  663    HD2  HIS  89           HD2      HIS  89   5.977   3.968 -13.744
  664    HE1  HIS  89           HE1      HIS  89   8.858   0.891 -14.344
  665    HB2  HIS  89           2HB      HIS  89   4.066   1.262 -15.285
  666    HB3  HIS  89           3HB      HIS  89   3.762   2.591 -14.163
  667    H    VAL  90           H        VAL  90   5.358   0.878 -11.350
  668    HA   VAL  90           HA       VAL  90   3.587   2.529  -9.637
  669    HB   VAL  90           HB       VAL  90   5.524   0.391  -8.673
  670   HG11  VAL  90          1HG1      VAL  90   3.269   1.865  -7.236
  671   HG12  VAL  90          2HG1      VAL  90   4.419   0.714  -6.519
  672   HG13  VAL  90          3HG1      VAL  90   4.976   2.283  -7.138
  673   HG21  VAL  90          3HG2      VAL  90   2.504   0.153  -9.026
  674   HG22  VAL  90          1HG2      VAL  90   3.757  -0.829  -9.809
  675   HG23  VAL  90          2HG2      VAL  90   3.505  -0.963  -8.068
  676    H    TYR  91           H        TYR  91   4.601   4.459  -9.061
  677    HA   TYR  91           HA       TYR  91   7.465   4.788  -8.979
  678    HD1  TYR  91           HD1      TYR  91   4.257   4.850 -11.515
  679    HD2  TYR  91           HD2      TYR  91   7.238   7.910 -12.144
  680    HE1  TYR  91           HE1      TYR  91   2.649   6.133 -12.846
  681    HE2  TYR  91           HE2      TYR  91   5.636   9.192 -13.520
  682    HH   TYR  91           HH       TYR  91   2.351   7.995 -14.279
  683    HB2  TYR  91           2HB      TYR  91   7.828   6.063 -10.921
  684    HB3  TYR  91           3HB      TYR  91   7.100   4.585 -11.459
  685    H    GLY  92           H        GLY  92   7.615   7.566  -9.377
  686    HA2  GLY  92           2HA      GLY  92   6.950   9.609  -8.571
  687    HA3  GLY  92           1HA      GLY  92   5.390   8.933  -8.085
  688    H    TYR  93           H        TYR  93   6.106  10.532  -6.256
  689    HA   TYR  93           HA       TYR  93   6.930   8.920  -3.983
  690    HD1  TYR  93           HD1      TYR  93   8.248  13.021  -3.759
  691    HD2  TYR  93           HD2      TYR  93   9.721  10.339  -6.800
  692    HE1  TYR  93           HE1      TYR  93   9.078  14.956  -5.046
  693    HE2  TYR  93           HE2      TYR  93  10.573  12.271  -8.092
  694    HH   TYR  93           HH       TYR  93  10.234  15.662  -6.943
  695    HB2  TYR  93           2HB      TYR  93   8.711  10.557  -3.307
  696    HB3  TYR  93           3HB      TYR  93   9.112   9.504  -4.642
  697    H    SER  94           H        SER  94   6.383   9.892  -1.991
  698    HA   SER  94           HA       SER  94   4.408  12.084  -2.054
  699    HG   SER  94           HG       SER  94   3.927  12.468   0.544
  700    HB2  SER  94           2HB      SER  94   3.913  10.359  -0.483
  701    HB3  SER  94           3HB      SER  94   5.594  10.221   0.028
  702    H    MET  95           H        MET  95   4.882  14.026  -0.577
  703    HA   MET  95           HA       MET  95   7.812  14.684  -0.633
  704    HB2  MET  95           2HB      MET  95   7.278  17.002  -0.607
  705    HB3  MET  95           3HB      MET  95   6.554  16.234  -2.020
  706    HG2  MET  95           2HG      MET  95   4.372  16.192  -0.913
  707    HG3  MET  95           3HG      MET  95   5.044  16.895   0.547
  708    HE1  MET  95           3HE      MET  95   5.698  19.393   0.878
  709    HE2  MET  95           1HE      MET  95   6.950  19.266  -0.380
  710    HE3  MET  95           2HE      MET  95   5.781  20.599  -0.423
  711    H    ALA  96           H        ALA  96   4.827  14.446   1.376
  712    HA   ALA  96           HA       ALA  96   6.224  15.420   3.748
  713    HB1  ALA  96           3HB      ALA  96   3.812  15.585   3.630
  714    HB2  ALA  96           1HB      ALA  96   3.661  13.829   3.402
  715    HB3  ALA  96           2HB      ALA  96   4.252  14.481   4.946
  716    H    TYR  97           H        TYR  97   5.900  12.292   2.132
  717    HA   TYR  97           HA       TYR  97   7.379  10.968   4.360
  718    HD1  TYR  97           HD2      TYR  97   5.591  10.314   6.290
  719    HD2  TYR  97           HD1      TYR  97   3.274  11.140   2.743
  720    HE1  TYR  97           HE2      TYR  97   3.789  11.280   7.689
  721    HE2  TYR  97           HE1      TYR  97   1.461  12.029   4.118
  722    HH   TYR  97           HH       TYR  97   0.751  12.598   6.291
  723    HB2  TYR  97           2HB      TYR  97   5.243   9.752   2.588
  724    HB3  TYR  97           3HB      TYR  97   5.963   9.060   4.031
  725    H    GLY  98           H        GLY  98   7.654  11.749   1.037
  726    HA2  GLY  98           2HA      GLY  98   9.472  11.312  -0.307
  727    HA3  GLY  98           1HA      GLY  98  10.094  10.210   0.915
  728    HA   PRO  99           HA       PRO  99   8.578   7.701  -2.766
  729    HB2  PRO  99           2HB      PRO  99  10.965   6.403  -3.280
  730    HB3  PRO  99           3HB      PRO  99  10.505   7.945  -4.039
  731    HG2  PRO  99           2HG      PRO  99  12.298   7.502  -1.651
  732    HG3  PRO  99           3HG      PRO  99  12.541   8.611  -3.035
  733    HD2  PRO  99           2HD      PRO  99  11.579   9.456  -0.622
  734    HD3  PRO  99           3HD      PRO  99  11.021  10.181  -2.159
  735    H    ALA 100           H        ALA 100   7.706   5.750  -2.319
  736    HA   ALA 100           HA       ALA 100   8.393   4.240   0.101
  737    HB1  ALA 100           3HB      ALA 100   6.066   4.328  -0.683
  738    HB2  ALA 100           1HB      ALA 100   6.572   3.761  -2.281
  739    HB3  ALA 100           2HB      ALA 100   6.677   2.675  -0.878
  740    H    GLN 101           H        GLN 101   8.814   1.844  -0.139
  741    HA   GLN 101           HA       GLN 101  10.890   1.246  -2.152
  742    HB2  GLN 101           2HB      GLN 101   9.744  -0.377   0.161
  743    HB3  GLN 101           3HB      GLN 101  10.963  -0.972  -0.969
  744    HG2  GLN 101           2HG      GLN 101  11.255   1.347   0.963
  745    HG3  GLN 101           3HG      GLN 101  12.013  -0.248   1.074
  746   HE21  GLN 101          2HE2      GLN 101  12.894   2.823   0.499
  747   HE22  GLN 101          1HE2      GLN 101  14.128   2.591  -0.712
  748    H    HIS 102           H        HIS 102   9.399   1.592  -3.924
  749    HA   HIS 102           HA       HIS 102   7.045   0.219  -4.385
  750    HD1  HIS 102           HD1      HIS 102   9.496   3.654  -6.011
  751    HD2  HIS 102           HD2      HIS 102   5.709   2.184  -4.938
  752    HE1  HIS 102           HE1      HIS 102   8.193   5.621  -5.037
  753    HB2  HIS 102           2HB      HIS 102   9.144   1.049  -6.416
  754    HB3  HIS 102           3HB      HIS 102   7.453   0.673  -6.774
  755    H    ALA 103           H        ALA 103  10.219  -1.161  -4.409
  756    HA   ALA 103           HA       ALA 103   9.908  -3.515  -5.909
  757    HB1  ALA 103           3HB      ALA 103  12.027  -2.774  -4.871
  758    HB2  ALA 103           1HB      ALA 103  11.341  -2.993  -3.245
  759    HB3  ALA 103           2HB      ALA 103  11.610  -4.401  -4.298
  760    H    ILE 104           H        ILE 104   8.819  -2.769  -2.542
  761    HA   ILE 104           HA       ILE 104   7.948  -5.457  -1.948
  762    HB   ILE 104           HB       ILE 104   7.107  -2.771  -0.769
  763   HG12  ILE 104          2HG1      ILE 104   9.252  -4.706   0.219
  764   HG13  ILE 104          3HG1      ILE 104   9.564  -3.174  -0.597
  765   HG21  ILE 104          1HG2      ILE 104   6.844  -5.578   0.410
  766   HG22  ILE 104          2HG2      ILE 104   6.345  -4.062   1.195
  767   HG23  ILE 104          3HG2      ILE 104   5.506  -4.609  -0.244
  768   HD11  ILE 104          3HD1      ILE 104   8.338  -1.982   1.244
  769   HD12  ILE 104          1HD1      ILE 104   8.321  -3.521   2.143
  770   HD13  ILE 104          2HD1      ILE 104   9.861  -2.765   1.711
  771    H    SER 105           H        SER 105   6.345  -2.428  -3.072
  772    HA   SER 105           HA       SER 105   3.749  -3.334  -3.188
  773    HG   SER 105           HG       SER 105   4.687   0.117  -3.305
  774    HB2  SER 105           2HB      SER 105   4.771  -1.398  -5.259
  775    HB3  SER 105           3HB      SER 105   3.307  -1.327  -4.260
  776    H    THR 106           H        THR 106   6.230  -3.416  -5.905
  777    HA   THR 106           HA       THR 106   4.323  -4.470  -7.723
  778    HB   THR 106           HB       THR 106   6.423  -5.152  -9.021
  779    HG1  THR 106           1HG      THR 106   8.345  -4.624  -8.209
  780   HG21  THR 106          3HG2      THR 106   5.135  -3.071  -9.325
  781   HG22  THR 106          1HG2      THR 106   6.130  -2.259  -8.100
  782   HG23  THR 106          2HG2      THR 106   6.867  -2.834  -9.615
  783    H    GLU 107           H        GLU 107   6.792  -6.209  -5.688
  784    HA   GLU 107           HA       GLU 107   6.139  -8.735  -6.776
  785    HB2  GLU 107           2HB      GLU 107   7.182  -7.993  -4.015
  786    HB3  GLU 107           3HB      GLU 107   7.081  -9.649  -4.619
  787    HG2  GLU 107           2HG      GLU 107   8.732  -7.414  -5.878
  788    HG3  GLU 107           3HG      GLU 107   9.352  -8.711  -4.867
  789    H    LYS 108           H        LYS 108   4.582  -6.950  -4.073
  790    HA   LYS 108           HA       LYS 108   2.798  -9.157  -3.470
  791    HB2  LYS 108           2HB      LYS 108   2.746  -6.202  -2.711
  792    HB3  LYS 108           3HB      LYS 108   1.570  -7.411  -2.161
  793    HG2  LYS 108           2HG      LYS 108   3.421  -8.803  -1.256
  794    HG3  LYS 108           3HG      LYS 108   4.567  -7.506  -1.624
  795    HD2  LYS 108           2HD      LYS 108   3.431  -5.994  -0.063
  796    HD3  LYS 108           3HD      LYS 108   2.110  -7.158   0.142
  797    HE2  LYS 108           2HE      LYS 108   4.102  -8.804   0.809
  798    HE3  LYS 108           3HE      LYS 108   4.948  -7.297   1.184
  799    HZ1  LYS 108           3HZ      LYS 108   3.081  -6.765   2.695
  800    HZ2  LYS 108           1HZ      LYS 108   2.311  -8.131   2.280
  801    HZ3  LYS 108           2HZ      LYS 108   3.739  -8.225   3.090
  802    H    ILE 109           H        ILE 109   2.431  -6.199  -5.517
  803    HA   ILE 109           HA       ILE 109  -0.335  -6.719  -6.074
  804    HB   ILE 109           HB       ILE 109   1.743  -5.075  -7.583
  805   HG12  ILE 109          2HG1      ILE 109  -0.583  -4.105  -5.839
  806   HG13  ILE 109          3HG1      ILE 109   0.983  -4.416  -5.147
  807   HG21  ILE 109          1HG2      ILE 109  -1.303  -4.901  -7.875
  808   HG22  ILE 109          2HG2      ILE 109  -0.076  -4.032  -8.812
  809   HG23  ILE 109          3HG2      ILE 109  -0.289  -5.765  -9.028
  810   HD11  ILE 109          3HD1      ILE 109   2.022  -2.762  -6.706
  811   HD12  ILE 109          1HD1      ILE 109   0.404  -2.381  -7.334
  812   HD13  ILE 109          2HD1      ILE 109   0.794  -2.055  -5.638
  813    H    LYS 110           H        LYS 110   2.718  -7.729  -7.760
  814    HA   LYS 110           HA       LYS 110   1.503  -9.164  -9.899
  815    HB2  LYS 110           2HB      LYS 110   4.016  -9.738  -8.278
  816    HB3  LYS 110           3HB      LYS 110   3.558 -10.658  -9.703
  817    HG2  LYS 110           2HG      LYS 110   3.884  -8.779 -11.171
  818    HG3  LYS 110           3HG      LYS 110   4.095  -7.660  -9.815
  819    HD2  LYS 110           2HD      LYS 110   6.058  -9.055  -9.050
  820    HD3  LYS 110           3HD      LYS 110   5.909 -10.009 -10.535
  821    HE2  LYS 110           2HE      LYS 110   6.374  -7.980 -11.878
  822    HE3  LYS 110           3HE      LYS 110   6.401  -7.002 -10.406
  823    HZ1  LYS 110           3HZ      LYS 110   8.293  -8.387  -9.645
  824    HZ2  LYS 110           1HZ      LYS 110   8.323  -9.142 -11.098
  825    HZ3  LYS 110           2HZ      LYS 110   8.632  -7.541 -11.018
  826    H    ALA 111           H        ALA 111   2.329 -10.251  -6.542
  827    HA   ALA 111           HA       ALA 111   1.421 -12.893  -6.883
  828    HB1  ALA 111           3HB      ALA 111   2.852 -12.154  -5.010
  829    HB2  ALA 111           1HB      ALA 111   1.491 -11.238  -4.320
  830    HB3  ALA 111           2HB      ALA 111   1.407 -13.005  -4.431
  831    H    LYS 112           H        LYS 112  -0.425  -9.982  -5.750
  832    HA   LYS 112           HA       LYS 112  -2.816 -11.532  -5.289
  833    HB2  LYS 112           2HB      LYS 112  -2.411  -9.416  -4.122
  834    HB3  LYS 112           3HB      LYS 112  -2.501  -8.519  -5.651
  835    HG2  LYS 112           2HG      LYS 112  -4.813  -9.107  -5.955
  836    HG3  LYS 112           3HG      LYS 112  -4.759 -10.300  -4.639
  837    HD2  LYS 112           2HD      LYS 112  -4.521  -8.464  -3.009
  838    HD3  LYS 112           3HD      LYS 112  -4.578  -7.289  -4.355
  839    HE2  LYS 112           2HE      LYS 112  -6.822  -8.416  -4.990
  840    HE3  LYS 112           3HE      LYS 112  -6.747  -9.208  -3.409
  841    HZ1  LYS 112           3HZ      LYS 112  -6.575  -6.900  -2.461
  842    HZ2  LYS 112           1HZ      LYS 112  -6.902  -6.313  -3.964
  843    HZ3  LYS 112           2HZ      LYS 112  -8.015  -7.228  -3.189
  844    H    TYR 113           H        TYR 113  -1.553  -9.827  -8.158
  845    HA   TYR 113           HA       TYR 113  -4.014 -10.604  -9.659
  846    HD1  TYR 113           HD1      TYR 113  -6.009  -8.719  -9.685
  847    HD2  TYR 113           HD2      TYR 113  -2.514  -6.899  -7.940
  848    HE1  TYR 113           HE1      TYR 113  -7.449  -7.502  -8.084
  849    HE2  TYR 113           HE2      TYR 113  -3.949  -5.651  -6.349
  850    HH   TYR 113           HH       TYR 113  -7.528  -5.929  -6.365
  851    HB2  TYR 113           2HB      TYR 113  -2.309  -8.115  -9.975
  852    HB3  TYR 113           3HB      TYR 113  -3.736  -8.529 -10.907
  853    HA   PRO 114           HA       PRO 114  -0.099 -12.401 -11.498
  854    HB2  PRO 114           2HB      PRO 114  -0.788 -15.046 -11.689
  855    HB3  PRO 114           3HB      PRO 114  -0.187 -14.296 -10.178
  856    HG2  PRO 114           2HG      PRO 114  -3.075 -14.770 -10.998
  857    HG3  PRO 114           3HG      PRO 114  -2.279 -15.208  -9.449
  858    HD2  PRO 114           2HD      PRO 114  -3.724 -12.921  -9.703
  859    HD3  PRO 114           3HD      PRO 114  -2.218 -12.966  -8.738
  860    H    ASP 115           H        ASP 115  -3.402 -12.231 -12.517
  861    HA   ASP 115           HA       ASP 115  -3.104 -13.206 -15.212
  862    HB2  ASP 115           2HB      ASP 115  -5.277 -12.898 -14.025
  863    HB3  ASP 115           3HB      ASP 115  -5.033 -11.150 -14.068
  864    H    TYR 116           H        TYR 116  -1.704 -10.534 -13.635
  865    HA   TYR 116           HA       TYR 116  -1.103  -9.135 -16.189
  866    HD1  TYR 116           HD1      TYR 116  -2.658  -6.722 -16.882
  867    HD2  TYR 116           HD2      TYR 116  -4.030  -8.541 -13.220
  868    HE1  TYR 116           HE1      TYR 116  -5.000  -6.339 -17.580
  869    HE2  TYR 116           HE2      TYR 116  -6.382  -8.158 -13.902
  870    HH   TYR 116           HH       TYR 116  -7.250  -6.578 -17.018
  871    HB2  TYR 116           2HB      TYR 116  -1.694  -7.872 -13.479
  872    HB3  TYR 116           3HB      TYR 116  -1.161  -7.014 -14.912
  873    H    GLU 117           H        GLU 117   0.818  -7.500 -15.508
  874    HA   GLU 117           HA       GLU 117   2.706  -8.706 -13.623
  875    HB2  GLU 117           2HB      GLU 117   3.216  -9.676 -15.877
  876    HB3  GLU 117           3HB      GLU 117   3.475  -8.047 -16.501
  877    HG2  GLU 117           2HG      GLU 117   5.359  -7.731 -14.931
  878    HG3  GLU 117           3HG      GLU 117   5.008  -9.277 -14.161
  879    H    VAL 118           H        VAL 118   4.334  -7.039 -13.010
  880    HA   VAL 118           HA       VAL 118   3.300  -4.301 -13.351
  881    HB   VAL 118           HB       VAL 118   3.983  -5.362 -10.605
  882   HG11  VAL 118          1HG1      VAL 118   1.998  -3.219 -11.463
  883   HG12  VAL 118          2HG1      VAL 118   2.575  -3.550  -9.820
  884   HG13  VAL 118          3HG1      VAL 118   3.677  -2.886 -11.040
  885   HG21  VAL 118          3HG2      VAL 118   1.170  -5.524 -11.771
  886   HG22  VAL 118          1HG2      VAL 118   2.184  -6.912 -11.318
  887   HG23  VAL 118          2HG2      VAL 118   1.651  -5.801 -10.080
  888    H    THR 119           H        THR 119   4.949  -2.710 -13.056
  889    HA   THR 119           HA       THR 119   7.700  -3.654 -12.435
  890    HB   THR 119           HB       THR 119   8.417  -2.130 -14.359
  891    HG1  THR 119           1HG      THR 119   6.697  -1.981 -16.021
  892   HG21  THR 119          3HG2      THR 119   8.460  -4.589 -14.492
  893   HG22  THR 119          1HG2      THR 119   6.796  -4.601 -15.115
  894   HG23  THR 119          2HG2      THR 119   8.107  -3.841 -16.056
  895    H    TRP 120           H        TRP 120   9.173  -1.666 -12.108
  896    HA   TRP 120           HA       TRP 120   7.753   0.752 -11.360
  897    HD1  TRP 120           HD1      TRP 120   9.281  -2.815  -9.284
  898    HE1  TRP 120           HE1      TRP 120  11.504  -3.313  -8.141
  899    HE3  TRP 120           HE3      TRP 120  10.823   2.020  -8.368
  900    HZ2  TRP 120           HZ2      TRP 120  13.658  -1.822  -6.913
  901    HZ3  TRP 120           HZ3      TRP 120  12.963   2.412  -7.203
  902    HH2  TRP 120           HH2      TRP 120  14.383   0.520  -6.467
  903    HB2  TRP 120           2HB      TRP 120   8.591   0.946  -9.127
  904    HB3  TRP 120           3HB      TRP 120   7.704  -0.558  -9.229
  905    H    ALA 121           H        ALA 121   9.213   2.518 -10.914
  906    HA   ALA 121           HA       ALA 121  12.069   2.206 -11.337
  907    HB1  ALA 121           3HB      ALA 121  11.258   2.522 -13.687
  908    HB2  ALA 121           1HB      ALA 121  10.375   3.980 -13.180
  909    HB3  ALA 121           2HB      ALA 121  12.149   3.950 -13.112
  910    H    ASN 122           H        ASN 122  13.068   3.857 -10.074
  911    HA   ASN 122           HA       ASN 122  11.221   5.558  -8.557
  912    HB2  ASN 122           2HB      ASN 122  12.939   4.657  -7.196
  913    HB3  ASN 122           3HB      ASN 122  14.213   5.209  -8.301
  914   HD21  ASN 122          2HD2      ASN 122  11.267   6.960  -6.947
  915   HD22  ASN 122          1HD2      ASN 122  12.214   8.251  -6.275
  916    H    ASP 123           H        ASP 123  10.446   6.657 -10.424
  917    HA   ASP 123           HA       ASP 123  11.922   9.127 -10.946
  918    HB2  ASP 123           2HB      ASP 123  12.256   7.429 -12.928
  919    HB3  ASP 123           3HB      ASP 123  10.560   7.760 -13.284
  920    H    GLY 124           H        GLY 124   9.942  10.440 -12.393
  921    HA2  GLY 124           2HA      GLY 124   7.589  10.910 -12.367
  922    HA3  GLY 124           1HA      GLY 124   7.408   9.954 -10.892
  923    H    TYR 125           H        TYR 125   6.349  11.676  -9.842
  924    HA   TYR 125           HA       TYR 125   8.155  13.689  -8.659
  925    HD1  TYR 125           HD1      TYR 125   8.442  16.366  -9.088
  926    HD2  TYR 125           HD2      TYR 125   4.351  15.519  -7.992
  927    HE1  TYR 125           HE1      TYR 125   8.436  18.347  -7.606
  928    HE2  TYR 125           HE2      TYR 125   4.337  17.498  -6.504
  929    HH   TYR 125           HH       TYR 125   7.199  19.644  -6.114
  930    HB2  TYR 125           2HB      TYR 125   6.928  14.839 -10.469
  931    HB3  TYR 125           3HB      TYR 125   5.399  14.293  -9.788
  Start of MODEL    4
    1    HA   MET   1           HA       MET   1 -10.048  -0.107  19.045
    2    H1   MET   1           H1       MET   1 -11.913  -0.478  21.123
    3    H2   MET   1           H2       MET   1 -11.770   0.761  20.061
    4    H3   MET   1           H3       MET   1 -10.909   0.772  21.457
    5    HB2  MET   1           2HB      MET   1  -8.678   0.668  21.046
    6    HB3  MET   1           3HB      MET   1  -8.879  -0.949  21.726
    7    HG2  MET   1           2HG      MET   1  -7.857  -1.792  19.475
    8    HG3  MET   1           3HG      MET   1  -7.451  -0.110  19.180
    9    HE1  MET   1           3HE      MET   1  -7.323  -2.476  22.434
   10    HE2  MET   1           1HE      MET   1  -6.686  -3.397  21.053
   11    HE3  MET   1           2HE      MET   1  -5.606  -2.908  22.378
   12    H    ALA   2           H        ALA   2 -10.237  -1.964  17.895
   13    HA   ALA   2           HA       ALA   2 -11.527  -4.357  19.058
   14    HB1  ALA   2           3HB      ALA   2 -12.170  -3.530  16.803
   15    HB2  ALA   2           1HB      ALA   2 -10.500  -3.769  16.244
   16    HB3  ALA   2           2HB      ALA   2 -11.488  -5.159  16.734
   17    H    VAL   3           H        VAL   3 -10.269  -6.427  17.883
   18    HA   VAL   3           HA       VAL   3  -7.363  -6.206  18.254
   19    HB   VAL   3           HB       VAL   3  -9.029  -8.474  19.447
   20   HG11  VAL   3          1HG1      VAL   3  -6.004  -8.009  19.440
   21   HG12  VAL   3          2HG1      VAL   3  -6.847  -9.249  20.392
   22   HG13  VAL   3          3HG1      VAL   3  -6.881  -9.329  18.638
   23   HG21  VAL   3          3HG2      VAL   3  -7.438  -6.281  20.851
   24   HG22  VAL   3          1HG2      VAL   3  -9.196  -6.521  20.910
   25   HG23  VAL   3          2HG2      VAL   3  -8.128  -7.712  21.647
   26    H    ALA   4           H        ALA   4  -6.271  -7.712  16.855
   27    HA   ALA   4           HA       ALA   4  -7.725  -9.265  14.883
   28    HB1  ALA   4           3HB      ALA   4  -7.917  -6.935  13.978
   29    HB2  ALA   4           1HB      ALA   4  -6.152  -6.755  14.092
   30    HB3  ALA   4           2HB      ALA   4  -6.863  -7.934  12.970
   31    H    ASP   5           H        ASP   5  -5.733  -9.705  13.120
   32    HA   ASP   5           HA       ASP   5  -3.132  -9.973  14.442
   33    HB2  ASP   5           2HB      ASP   5  -4.170 -12.170  14.875
   34    HB3  ASP   5           3HB      ASP   5  -4.628 -12.315  13.177
   35    H    LEU   6           H        LEU   6  -1.469  -9.972  12.800
   36    HA   LEU   6           HA       LEU   6  -1.996  -8.270  10.657
   37    HG   LEU   6           HG       LEU   6   0.235  -8.556  12.882
   38    HB2  LEU   6           2HB      LEU   6   0.293 -10.240  11.067
   39    HB3  LEU   6           3HB      LEU   6   0.278  -8.962   9.866
   40   HD11  LEU   6          1HD1      LEU   6   2.384  -7.983  10.798
   41   HD12  LEU   6          2HD1      LEU   6   2.485  -7.638  12.538
   42   HD13  LEU   6          3HD1      LEU   6   2.402  -9.309  11.977
   43   HD21  LEU   6          3HD2      LEU   6   0.244  -6.506  10.622
   44   HD22  LEU   6          1HD2      LEU   6  -0.999  -6.717  11.881
   45   HD23  LEU   6          2HD2      LEU   6   0.599  -6.143  12.327
   46    H    ALA   7           H        ALA   7  -2.112 -11.853  10.678
   47    HA   ALA   7           HA       ALA   7  -2.027 -12.171   7.862
   48    HB1  ALA   7           3HB      ALA   7  -1.647 -14.007   9.473
   49    HB2  ALA   7           1HB      ALA   7  -3.356 -13.924   9.970
   50    HB3  ALA   7           2HB      ALA   7  -2.930 -14.412   8.318
   51    H    LEU   8           H        LEU   8  -4.617 -11.060   9.973
   52    HA   LEU   8           HA       LEU   8  -6.792 -11.843   8.178
   53    HG   LEU   8           HG       LEU   8  -6.190 -12.133  11.367
   54    HB2  LEU   8           2HB      LEU   8  -6.792  -9.889  10.516
   55    HB3  LEU   8           3HB      LEU   8  -8.206 -10.555   9.714
   56   HD11  LEU   8          1HD1      LEU   8  -9.097 -11.409  11.924
   57   HD12  LEU   8          2HD1      LEU   8  -8.023 -12.361  12.973
   58   HD13  LEU   8          3HD1      LEU   8  -7.683 -10.650  12.678
   59   HD21  LEU   8          3HD2      LEU   8  -8.742 -13.077   9.986
   60   HD22  LEU   8          1HD2      LEU   8  -7.081 -13.589   9.608
   61   HD23  LEU   8          2HD2      LEU   8  -7.798 -14.020  11.161
   62    H    ILE   9           H        ILE   9  -4.631  -9.083   8.498
   63    HA   ILE   9           HA       ILE   9  -6.425  -7.115   7.466
   64    HB   ILE   9           HB       ILE   9  -3.390  -7.021   7.327
   65   HG12  ILE   9          2HG1      ILE   9  -5.186  -6.296   9.687
   66   HG13  ILE   9          3HG1      ILE   9  -4.013  -7.618   9.626
   67   HG21  ILE   9          1HG2      ILE   9  -5.488  -4.817   7.529
   68   HG22  ILE   9          2HG2      ILE   9  -3.728  -4.574   7.429
   69   HG23  ILE   9          3HG2      ILE   9  -4.587  -5.260   6.066
   70   HD11  ILE   9          3HD1      ILE   9  -2.175  -5.965   9.342
   71   HD12  ILE   9          1HD1      ILE   9  -3.360  -4.665   9.641
   72   HD13  ILE   9          2HD1      ILE   9  -3.042  -5.872  10.889
   73    HA   PRO  10           HA       PRO  10  -6.199  -8.327   3.060
   74    HB2  PRO  10           2HB      PRO  10  -6.713  -5.356   2.787
   75    HB3  PRO  10           3HB      PRO  10  -7.453  -6.709   1.873
   76    HG2  PRO  10           2HG      PRO  10  -8.819  -5.515   3.885
   77    HG3  PRO  10           3HG      PRO  10  -8.823  -7.305   3.747
   78    HD2  PRO  10           2HD      PRO  10  -7.163  -5.565   5.584
   79    HD3  PRO  10           3HD      PRO  10  -8.027  -7.092   5.940
   80    H    ASP  11           H        ASP  11  -4.261  -8.486   1.947
   81    HA   ASP  11           HA       ASP  11  -2.015  -6.956   2.956
   82    HB2  ASP  11           2HB      ASP  11  -2.076  -9.427   2.348
   83    HB3  ASP  11           3HB      ASP  11  -2.048  -8.921   0.652
   84    H    VAL  12           H        VAL  12  -3.898  -6.999  -0.038
   85    HA   VAL  12           HA       VAL  12  -2.748  -4.391  -0.828
   86    HB   VAL  12           HB       VAL  12  -3.327  -6.692  -2.750
   87   HG11  VAL  12          1HG1      VAL  12  -2.225  -3.890  -3.279
   88   HG12  VAL  12          2HG1      VAL  12  -2.406  -5.187  -4.481
   89   HG13  VAL  12          3HG1      VAL  12  -3.838  -4.481  -3.733
   90   HG21  VAL  12          3HG2      VAL  12  -0.649  -5.470  -1.954
   91   HG22  VAL  12          1HG2      VAL  12  -1.196  -7.122  -1.613
   92   HG23  VAL  12          2HG2      VAL  12  -0.903  -6.625  -3.279
   93    H    ASP  13           H        ASP  13  -4.457  -2.966  -1.191
   94    HA   ASP  13           HA       ASP  13  -7.048  -3.917  -2.079
   95    HB2  ASP  13           2HB      ASP  13  -7.318  -4.166   0.397
   96    HB3  ASP  13           3HB      ASP  13  -6.817  -2.491   0.610
   97    H    ILE  14           H        ILE  14  -7.762  -2.346  -3.476
   98    HA   ILE  14           HA       ILE  14  -6.727   0.376  -3.306
   99    HB   ILE  14           HB       ILE  14  -5.858   0.231  -5.664
  100   HG12  ILE  14          2HG1      ILE  14  -6.026  -2.795  -5.314
  101   HG13  ILE  14          3HG1      ILE  14  -7.088  -1.830  -6.342
  102   HG21  ILE  14          1HG2      ILE  14  -4.311  -1.640  -3.836
  103   HG22  ILE  14          2HG2      ILE  14  -3.678  -0.589  -5.119
  104   HG23  ILE  14          3HG2      ILE  14  -4.350   0.126  -3.657
  105   HD11  ILE  14          3HD1      ILE  14  -5.103  -1.097  -7.669
  106   HD12  ILE  14          1HD1      ILE  14  -4.091  -2.205  -6.708
  107   HD13  ILE  14          2HD1      ILE  14  -5.397  -2.845  -7.715
  108    H    ASP  15           H        ASP  15  -7.630   1.726  -5.129
  109    HA   ASP  15           HA       ASP  15  -9.944   0.612  -6.564
  110    HB2  ASP  15           2HB      ASP  15 -11.065   1.520  -4.595
  111    HB3  ASP  15           3HB      ASP  15 -10.242   3.077  -4.824
  112    H    SER  16           H        SER  16  -8.631   0.756  -8.329
  113    HA   SER  16           HA       SER  16  -6.985   2.870  -9.048
  114    HG   SER  16           HG       SER  16  -6.663  -0.569 -10.276
  115    HB2  SER  16           2HB      SER  16  -8.305   0.884 -10.933
  116    HB3  SER  16           3HB      SER  16  -6.688   1.593 -11.062
  117    H    ASP  17           H        ASP  17  -7.123   3.958 -11.240
  118    HA   ASP  17           HA       ASP  17  -9.795   4.621 -12.273
  119    HB2  ASP  17           2HB      ASP  17  -9.513   6.432 -10.672
  120    HB3  ASP  17           3HB      ASP  17  -7.879   6.755 -11.246
  121    H    GLY  18           H        GLY  18  -6.263   5.223 -12.434
  122    HA2  GLY  18           2HA      GLY  18  -5.725   4.052 -14.871
  123    HA3  GLY  18           1HA      GLY  18  -6.155   5.733 -15.265
  124    H    VAL  19           H        VAL  19  -5.211   7.052 -12.994
  125    HA   VAL  19           HA       VAL  19  -2.444   6.255 -12.382
  126    HB   VAL  19           HB       VAL  19  -3.272   9.044 -13.335
  127   HG11  VAL  19          1HG1      VAL  19  -0.574   8.009 -12.367
  128   HG12  VAL  19          2HG1      VAL  19  -0.881   9.619 -13.059
  129   HG13  VAL  19          3HG1      VAL  19  -1.619   9.169 -11.521
  130   HG21  VAL  19          3HG2      VAL  19  -1.426   7.025 -14.663
  131   HG22  VAL  19          1HG2      VAL  19  -2.971   7.629 -15.292
  132   HG23  VAL  19          2HG2      VAL  19  -1.598   8.724 -15.150
  133    H    PHE  20           H        PHE  20  -2.504   6.202 -10.098
  134    HA   PHE  20           HA       PHE  20  -4.068   8.216  -8.630
  135    HD1  PHE  20           HD2      PHE  20  -4.567   4.606 -10.533
  136    HD2  PHE  20           HD1      PHE  20  -4.854   4.630  -6.228
  137    HE1  PHE  20           HE2      PHE  20  -4.136   2.169 -10.489
  138    HE2  PHE  20           HE1      PHE  20  -4.435   2.185  -6.196
  139    HZ   PHE  20           HZ       PHE  20  -4.082   0.952  -8.324
  140    HB2  PHE  20           2HB      PHE  20  -5.412   6.605  -7.431
  141    HB3  PHE  20           3HB      PHE  20  -5.773   6.518  -9.141
  142    H    LYS  21           H        LYS  21  -3.504   8.311  -6.375
  143    HA   LYS  21           HA       LYS  21  -0.740   7.603  -5.937
  144    HB2  LYS  21           2HB      LYS  21  -2.754   8.689  -3.928
  145    HB3  LYS  21           3HB      LYS  21  -1.013   8.787  -3.842
  146    HG2  LYS  21           2HG      LYS  21  -2.823  10.298  -5.764
  147    HG3  LYS  21           3HG      LYS  21  -1.932  10.946  -4.386
  148    HD2  LYS  21           2HD      LYS  21   0.218  10.479  -5.516
  149    HD3  LYS  21           3HD      LYS  21  -0.640   9.735  -6.866
  150    HE2  LYS  21           2HE      LYS  21   0.017  11.945  -7.522
  151    HE3  LYS  21           3HE      LYS  21  -1.742  11.868  -7.411
  152    HZ1  LYS  21           3HZ      LYS  21  -1.645  13.063  -5.341
  153    HZ2  LYS  21           1HZ      LYS  21   0.007  13.023  -5.310
  154    HZ3  LYS  21           2HZ      LYS  21  -0.782  13.889  -6.443
  155    H    TYR  22           H        TYR  22   0.077   6.390  -4.130
  156    HA   TYR  22           HA       TYR  22  -1.753   4.723  -2.619
  157    HD1  TYR  22           HD2      TYR  22   1.645   4.209  -5.291
  158    HD2  TYR  22           HD1      TYR  22   0.307   1.552  -2.179
  159    HE1  TYR  22           HE2      TYR  22   4.001   3.639  -4.768
  160    HE2  TYR  22           HE1      TYR  22   2.636   0.981  -1.638
  161    HH   TYR  22           HH       TYR  22   4.850   1.521  -2.003
  162    HB2  TYR  22           2HB      TYR  22  -1.245   2.694  -3.499
  163    HB3  TYR  22           3HB      TYR  22  -0.828   3.581  -4.943
  164    H    VAL  23           H        VAL  23  -0.452   3.593  -0.834
  165    HA   VAL  23           HA       VAL  23   2.179   4.805  -0.282
  166    HB   VAL  23           HB       VAL  23   1.557   5.036   2.136
  167   HG11  VAL  23          1HG1      VAL  23   0.101   6.883   0.213
  168   HG12  VAL  23          2HG1      VAL  23   0.471   7.237   1.918
  169   HG13  VAL  23          3HG1      VAL  23   1.782   7.008   0.755
  170   HG21  VAL  23          3HG2      VAL  23  -1.311   4.781   1.138
  171   HG22  VAL  23          1HG2      VAL  23  -0.475   3.684   2.233
  172   HG23  VAL  23          2HG2      VAL  23  -0.824   5.350   2.742
  173    H    LEU  24           H        LEU  24   3.450   3.561   1.127
  174    HA   LEU  24           HA       LEU  24   2.742   0.659   1.148
  175    HG   LEU  24           HG       LEU  24   6.366  -0.103   0.406
  176    HB2  LEU  24           2HB      LEU  24   4.764   1.637  -0.195
  177    HB3  LEU  24           3HB      LEU  24   5.516   1.924   1.347
  178   HD11  LEU  24          1HD1      LEU  24   4.435  -1.079   2.541
  179   HD12  LEU  24          2HD1      LEU  24   6.053  -1.687   2.134
  180   HD13  LEU  24          3HD1      LEU  24   5.874  -0.100   2.900
  181   HD21  LEU  24          3HD2      LEU  24   3.548  -1.241   0.297
  182   HD22  LEU  24          1HD2      LEU  24   4.399  -0.530  -1.091
  183   HD23  LEU  24          2HD2      LEU  24   5.047  -1.973  -0.313
  184    H    ILE  25           H        ILE  25   2.147   0.082   3.264
  185    HA   ILE  25           HA       ILE  25   3.169   1.829   5.472
  186    HB   ILE  25           HB       ILE  25   0.381   0.793   4.933
  187   HG12  ILE  25          2HG1      ILE  25   1.518   3.548   5.617
  188   HG13  ILE  25          3HG1      ILE  25   1.118   3.004   3.989
  189   HG21  ILE  25          1HG2      ILE  25   1.442   1.917   7.567
  190   HG22  ILE  25          2HG2      ILE  25  -0.264   1.562   7.204
  191   HG23  ILE  25          3HG2      ILE  25   0.886   0.252   7.299
  192   HD11  ILE  25          3HD1      ILE  25  -1.269   2.791   4.658
  193   HD12  ILE  25          1HD1      ILE  25  -0.857   3.458   6.265
  194   HD13  ILE  25          2HD1      ILE  25  -0.638   4.439   4.825
  195    H    ARG  26           H        ARG  26   4.380   0.868   6.831
  196    HA   ARG  26           HA       ARG  26   4.528  -2.058   7.051
  197    HE   ARG  26           HE       ARG  26   8.000   0.159   9.627
  198    HB2  ARG  26           2HB      ARG  26   6.544  -0.589   7.203
  199    HB3  ARG  26           3HB      ARG  26   5.879   0.185   8.639
  200    HG2  ARG  26           2HG      ARG  26   6.133  -1.757   9.967
  201    HG3  ARG  26           3HG      ARG  26   6.186  -2.829   8.569
  202    HD2  ARG  26           2HD      ARG  26   8.373  -2.682   9.606
  203    HD3  ARG  26           3HD      ARG  26   8.395  -2.068   7.948
  204   HH11  ARG  26          1HH2      ARG  26  10.521  -2.294   9.117
  205   HH12  ARG  26          2HH2      ARG  26  11.826  -1.237   9.500
  206   HH21  ARG  26          1HH1      ARG  26   9.739   1.602  10.039
  207   HH22  ARG  26          2HH1      ARG  26  11.370   1.011  10.078
  208    H    VAL  27           H        VAL  27   3.804  -3.142   8.900
  209    HA   VAL  27           HA       VAL  27   1.965  -1.766  10.774
  210    HB   VAL  27           HB       VAL  27   1.452  -4.494   9.530
  211   HG11  VAL  27          1HG1      VAL  27  -0.473  -2.492  10.773
  212   HG12  VAL  27          2HG1      VAL  27  -0.856  -4.124  10.220
  213   HG13  VAL  27          3HG1      VAL  27   0.209  -3.895  11.608
  214   HG21  VAL  27          3HG2      VAL  27   0.342  -1.907   8.390
  215   HG22  VAL  27          1HG2      VAL  27   1.415  -3.066   7.565
  216   HG23  VAL  27          2HG2      VAL  27  -0.222  -3.547   7.991
  217    H    HIS  28           H        HIS  28   1.989  -2.855  12.852
  218    HA   HIS  28           HA       HIS  28   3.898  -5.134  13.202
  219    HD1  HIS  28           HD1      HIS  28   6.626  -4.172  13.210
  220    HD2  HIS  28           HD2      HIS  28   4.399  -0.655  13.843
  221    HE1  HIS  28           HE1      HIS  28   7.950  -2.276  12.137
  222    HB2  HIS  28           2HB      HIS  28   3.508  -2.780  15.092
  223    HB3  HIS  28           3HB      HIS  28   4.636  -4.123  15.285
  224    H    SER  29           H        SER  29   3.223  -6.607  14.892
  225    HA   SER  29           HA       SER  29   0.455  -6.936  15.306
  226    HG   SER  29           HG       SER  29   1.724  -9.782  14.921
  227    HB2  SER  29           2HB      SER  29   2.771  -8.217  16.787
  228    HB3  SER  29           3HB      SER  29   1.118  -8.839  16.679
  229    H    ALA  30           H        ALA  30   0.806  -4.367  16.287
  230    HA   ALA  30           HA       ALA  30   0.827  -4.423  19.185
  231    HB1  ALA  30           3HB      ALA  30   1.685  -2.484  17.956
  232    HB2  ALA  30           1HB      ALA  30   0.070  -2.204  17.269
  233    HB3  ALA  30           2HB      ALA  30   0.335  -2.032  19.011
  234    HA   PRO  31           HA       PRO  31  -4.047  -4.432  18.522
  235    HB2  PRO  31           2HB      PRO  31  -3.794  -7.351  17.782
  236    HB3  PRO  31           3HB      PRO  31  -5.159  -6.224  17.481
  237    HG2  PRO  31           2HG      PRO  31  -3.440  -6.752  15.478
  238    HG3  PRO  31           3HG      PRO  31  -3.911  -5.049  15.805
  239    HD2  PRO  31           2HD      PRO  31  -1.439  -6.529  16.724
  240    HD3  PRO  31           3HD      PRO  31  -1.533  -4.919  15.944
  241    H    ARG  32           H        ARG  32  -5.315  -5.450  20.318
  242    HA   ARG  32           HA       ARG  32  -5.414  -5.898  22.555
  243    HE   ARG  32           HE       ARG  32  -2.201  -8.709  23.817
  244    HB2  ARG  32           2HB      ARG  32  -4.854  -8.237  21.564
  245    HB3  ARG  32           3HB      ARG  32  -3.224  -7.958  22.152
  246    HG2  ARG  32           2HG      ARG  32  -4.424  -7.557  24.493
  247    HG3  ARG  32           3HG      ARG  32  -5.802  -8.317  23.708
  248    HD2  ARG  32           2HD      ARG  32  -4.548  -9.981  24.934
  249    HD3  ARG  32           3HD      ARG  32  -4.374 -10.312  23.200
  250   HH11  ARG  32          1HH2      ARG  32  -3.389 -11.773  25.161
  251   HH12  ARG  32          2HH2      ARG  32  -1.825 -12.349  25.598
  252   HH21  ARG  32          1HH1      ARG  32  -0.131  -9.510  24.258
  253   HH22  ARG  32          2HH1      ARG  32   0.083 -10.997  25.126
  254    H    SER  33           H        SER  33  -3.532  -3.863  21.512
  255    HA   SER  33           HA       SER  33  -1.782  -2.595  21.933
  256    HG   SER  33           HG       SER  33  -3.742  -1.497  24.729
  257    HB2  SER  33           2HB      SER  33  -2.224  -3.217  24.851
  258    HB3  SER  33           3HB      SER  33  -1.553  -1.742  24.113
  259    H    GLY  34           H        GLY  34  -1.168  -5.523  21.501
  260    HA2  GLY  34           2HA      GLY  34   1.433  -5.816  21.306
  261    HA3  GLY  34           1HA      GLY  34   1.312  -5.942  23.072
  262    H    ALA  35           H        ALA  35   0.126  -7.382  19.990
  263    HA   ALA  35           HA       ALA  35  -1.105  -9.638  21.321
  264    HB1  ALA  35           3HB      ALA  35  -1.951  -8.870  19.157
  265    HB2  ALA  35           1HB      ALA  35  -0.369  -9.180  18.399
  266    HB3  ALA  35           2HB      ALA  35  -1.347 -10.528  19.014
  267    HA   PRO  36           HA       PRO  36   2.404 -11.986  22.258
  268    HB2  PRO  36           2HB      PRO  36   1.153 -14.387  20.914
  269    HB3  PRO  36           3HB      PRO  36   1.886 -14.267  22.544
  270    HG2  PRO  36           2HG      PRO  36  -0.807 -14.214  22.249
  271    HG3  PRO  36           3HG      PRO  36  -0.005 -13.081  23.386
  272    HD2  PRO  36           2HD      PRO  36  -1.014 -12.539  20.589
  273    HD3  PRO  36           3HD      PRO  36  -1.158 -11.546  22.067
  274    H    ALA  37           H        ALA  37   1.467 -12.243  18.875
  275    HA   ALA  37           HA       ALA  37   3.641 -13.731  17.876
  276    HB1  ALA  37           3HB      ALA  37   1.561 -13.307  16.627
  277    HB2  ALA  37           1HB      ALA  37   1.970 -11.580  16.497
  278    HB3  ALA  37           2HB      ALA  37   2.972 -12.801  15.686
  279    H    ALA  38           H        ALA  38   3.338 -10.216  18.418
  280    HA   ALA  38           HA       ALA  38   4.626  -8.443  17.896
  281    HB1  ALA  38           3HB      ALA  38   5.674  -9.283  19.961
  282    HB2  ALA  38           1HB      ALA  38   6.856 -10.187  18.981
  283    HB3  ALA  38           2HB      ALA  38   6.812  -8.411  18.919
  284    H    GLU  39           H        GLU  39   4.133  -9.960  15.578
  285    HA   GLU  39           HA       GLU  39   6.626 -10.012  13.999
  286    HB2  GLU  39           2HB      GLU  39   3.728 -10.775  13.434
  287    HB3  GLU  39           3HB      GLU  39   4.972 -10.779  12.191
  288    HG2  GLU  39           2HG      GLU  39   5.114 -12.456  14.727
  289    HG3  GLU  39           3HG      GLU  39   4.483 -13.016  13.189
  290    H    SER  40           H        SER  40   6.056  -9.045  11.653
  291    HA   SER  40           HA       SER  40   4.621  -6.507  11.774
  292    HG   SER  40           HG       SER  40   8.155  -5.880  12.624
  293    HB2  SER  40           2HB      SER  40   7.481  -6.665  10.786
  294    HB3  SER  40           3HB      SER  40   6.470  -5.222  10.842
  295    H    LYS  41           H        LYS  41   4.366  -5.634   9.540
  296    HA   LYS  41           HA       LYS  41   4.455  -7.579   7.319
  297    HB2  LYS  41           2HB      LYS  41   2.463  -8.284   8.423
  298    HB3  LYS  41           3HB      LYS  41   1.968  -6.635   8.803
  299    HG2  LYS  41           2HG      LYS  41   1.314  -6.195   6.538
  300    HG3  LYS  41           3HG      LYS  41   2.010  -7.741   5.975
  301    HD2  LYS  41           2HD      LYS  41   0.401  -8.965   7.362
  302    HD3  LYS  41           3HD      LYS  41  -0.281  -7.423   7.950
  303    HE2  LYS  41           2HE      LYS  41  -1.313  -6.920   5.977
  304    HE3  LYS  41           3HE      LYS  41  -0.177  -7.847   4.984
  305    HZ1  LYS  41           3HZ      LYS  41  -1.244  -9.845   5.550
  306    HZ2  LYS  41           1HZ      LYS  41  -2.069  -9.192   6.807
  307    HZ3  LYS  41           2HZ      LYS  41  -2.507  -8.823   5.284
  308    H    GLU  42           H        GLU  42   3.744  -6.427   5.267
  309    HA   GLU  42           HA       GLU  42   3.665  -3.469   5.508
  310    HB2  GLU  42           2HB      GLU  42   5.294  -5.035   3.461
  311    HB3  GLU  42           3HB      GLU  42   4.938  -3.321   3.408
  312    HG2  GLU  42           2HG      GLU  42   7.101  -3.388   4.248
  313    HG3  GLU  42           3HG      GLU  42   6.100  -3.065   5.652
  314    H    ILE  43           H        ILE  43   1.763  -2.842   4.731
  315    HA   ILE  43           HA       ILE  43   0.357  -4.492   2.696
  316    HB   ILE  43           HB       ILE  43  -1.673  -3.328   3.423
  317   HG12  ILE  43          2HG1      ILE  43  -0.011  -2.075   5.645
  318   HG13  ILE  43          3HG1      ILE  43  -0.675  -1.215   4.257
  319   HG21  ILE  43          1HG2      ILE  43  -0.258  -4.616   5.778
  320   HG22  ILE  43          2HG2      ILE  43  -2.003  -4.606   5.426
  321   HG23  ILE  43          3HG2      ILE  43  -0.900  -5.498   4.373
  322   HD11  ILE  43          3HD1      ILE  43  -2.979  -1.780   5.014
  323   HD12  ILE  43          1HD1      ILE  43  -2.298  -2.559   6.462
  324   HD13  ILE  43          2HD1      ILE  43  -2.070  -0.828   6.199
  325    H    VAL  44           H        VAL  44  -0.808  -3.428   1.042
  326    HA   VAL  44           HA       VAL  44   0.374  -0.835   0.118
  327    HB   VAL  44           HB       VAL  44  -0.763  -3.184  -1.463
  328   HG11  VAL  44          1HG1      VAL  44   0.778  -0.770  -2.485
  329   HG12  VAL  44          2HG1      VAL  44   0.115  -2.100  -3.449
  330   HG13  VAL  44          3HG1      VAL  44  -0.984  -0.987  -2.634
  331   HG21  VAL  44          3HG2      VAL  44   2.149  -2.386  -1.095
  332   HG22  VAL  44          1HG2      VAL  44   1.383  -3.873  -0.492
  333   HG23  VAL  44          2HG2      VAL  44   1.550  -3.606  -2.230
  334    H    ARG  45           H        ARG  45  -1.103   0.812   0.152
  335    HA   ARG  45           HA       ARG  45  -4.017   0.237  -0.247
  336    HE   ARG  45           HE       ARG  45  -4.267  -1.394   0.928
  337    HB2  ARG  45           2HB      ARG  45  -2.731   2.275   1.639
  338    HB3  ARG  45           3HB      ARG  45  -4.442   2.209   1.269
  339    HG2  ARG  45           2HG      ARG  45  -2.869   0.101   2.818
  340    HG3  ARG  45           3HG      ARG  45  -3.933   1.329   3.468
  341    HD2  ARG  45           2HD      ARG  45  -5.359  -0.423   3.533
  342    HD3  ARG  45           3HD      ARG  45  -5.775   0.263   1.963
  343   HH11  ARG  45          1HH2      ARG  45  -5.676  -2.295   4.101
  344   HH12  ARG  45          2HH2      ARG  45  -4.995  -3.898   4.024
  345   HH21  ARG  45          1HH1      ARG  45  -3.332  -3.380   0.983
  346   HH22  ARG  45          2HH1      ARG  45  -3.723  -4.533   2.253
  347    H    GLY  46           H        GLY  46  -4.949   1.687  -1.783
  348    HA2  GLY  46           2HA      GLY  46  -3.934   4.298  -2.226
  349    HA3  GLY  46           1HA      GLY  46  -3.313   3.226  -3.496
  350    H    TYR  47           H        TYR  47  -5.534   5.461  -3.263
  351    HA   TYR  47           HA       TYR  47  -7.590   3.982  -4.809
  352    HD1  TYR  47           HD2      TYR  47  -6.799   4.619  -0.718
  353    HD2  TYR  47           HD1      TYR  47  -9.625   2.260  -2.927
  354    HE1  TYR  47           HE2      TYR  47  -6.612   2.800   0.974
  355    HE2  TYR  47           HE1      TYR  47  -9.421   0.431  -1.301
  356    HH   TYR  47           HH       TYR  47  -8.456  -0.286   0.657
  357    HB2  TYR  47           2HB      TYR  47  -8.268   5.636  -2.356
  358    HB3  TYR  47           3HB      TYR  47  -9.369   4.693  -3.338
  359    H    LYS  48           H        LYS  48  -8.733   5.377  -6.195
  360    HA   LYS  48           HA       LYS  48  -7.554   7.814  -6.892
  361    HB2  LYS  48           2HB      LYS  48  -9.446   8.208  -8.320
  362    HB3  LYS  48           3HB      LYS  48  -8.981   6.508  -8.380
  363    HG2  LYS  48           2HG      LYS  48 -10.883   5.906  -6.925
  364    HG3  LYS  48           3HG      LYS  48 -11.331   7.616  -6.771
  365    HD2  LYS  48           2HD      LYS  48 -11.639   7.739  -9.242
  366    HD3  LYS  48           3HD      LYS  48 -11.323   6.004  -9.364
  367    HE2  LYS  48           2HE      LYS  48 -13.535   7.151  -7.613
  368    HE3  LYS  48           3HE      LYS  48 -13.772   6.823  -9.331
  369    HZ1  LYS  48           3HZ      LYS  48 -13.240   4.508  -8.928
  370    HZ2  LYS  48           1HZ      LYS  48 -13.001   4.771  -7.327
  371    HZ3  LYS  48           2HZ      LYS  48 -14.487   4.968  -7.984
  372    H    TRP  49           H        TRP  49  -9.950   7.311  -4.310
  373    HA   TRP  49           HA       TRP  49 -10.653  10.087  -4.129
  374    HD1  TRP  49           HD1      TRP  49 -12.536   6.211  -3.067
  375    HE1  TRP  49           HE1      TRP  49 -11.864   4.321  -1.499
  376    HE3  TRP  49           HE3      TRP  49  -9.099   8.715  -0.203
  377    HZ2  TRP  49           HZ2      TRP  49 -10.024   3.919   0.719
  378    HZ3  TRP  49           HZ3      TRP  49  -7.813   7.524   1.518
  379    HH2  TRP  49           HH2      TRP  49  -8.232   5.101   1.975
  380    HB2  TRP  49           2HB      TRP  49 -11.454   9.474  -1.826
  381    HB3  TRP  49           3HB      TRP  49 -12.204   8.695  -3.194
  382    H    ALA  50           H        ALA  50  -7.802   8.311  -2.966
  383    HA   ALA  50           HA       ALA  50  -7.030  10.549  -1.223
  384    HB1  ALA  50           3HB      ALA  50  -6.501   8.379  -0.393
  385    HB2  ALA  50           1HB      ALA  50  -5.622   7.951  -1.891
  386    HB3  ALA  50           2HB      ALA  50  -5.018   9.240  -0.814
  387    H    GLU  51           H        GLU  51  -7.074  12.162  -2.918
  388    HA   GLU  51           HA       GLU  51  -5.359  12.022  -5.206
  389    HB2  GLU  51           2HB      GLU  51  -7.339  13.500  -4.927
  390    HB3  GLU  51           3HB      GLU  51  -6.474  14.444  -3.712
  391    HG2  GLU  51           2HG      GLU  51  -4.843  15.178  -5.392
  392    HG3  GLU  51           3HG      GLU  51  -5.544  14.091  -6.596
  393    H    TYR  52           H        TYR  52  -4.597  12.437  -1.853
  394    HA   TYR  52           HA       TYR  52  -1.815  13.186  -2.482
  395    HD1  TYR  52           HD1      TYR  52  -4.641  15.599  -2.429
  396    HD2  TYR  52           HD2      TYR  52  -3.633  14.346   1.555
  397    HE1  TYR  52           HE1      TYR  52  -6.868  16.392  -1.634
  398    HE2  TYR  52           HE2      TYR  52  -5.838  15.133   2.380
  399    HH   TYR  52           HH       TYR  52  -8.284  16.630   0.204
  400    HB2  TYR  52           2HB      TYR  52  -1.947  14.446  -0.186
  401    HB3  TYR  52           3HB      TYR  52  -2.303  15.227  -1.711
  402    H    HIS  53           H        HIS  53  -0.315  12.460  -0.601
  403    HA   HIS  53           HA       HIS  53  -1.070   9.644  -0.248
  404    HD2  HIS  53           HD2      HIS  53   2.435  12.357  -1.316
  405    HE1  HIS  53           HE1      HIS  53   2.158   9.371  -4.309
  406    HE2  HIS  53           HE2      HIS  53   3.176  11.607  -3.718
  407    HB2  HIS  53           2HB      HIS  53   1.452  11.062   0.688
  408    HB3  HIS  53           3HB      HIS  53   1.200   9.345   0.491
  409    H    ALA  54           H        ALA  54  -0.529  12.597   1.678
  410    HA   ALA  54           HA       ALA  54  -0.838  11.521   4.248
  411    HB1  ALA  54           3HB      ALA  54  -0.294  13.898   3.797
  412    HB2  ALA  54           1HB      ALA  54  -1.954  14.168   3.221
  413    HB3  ALA  54           2HB      ALA  54  -1.664  13.746   4.917
  414    H    ASP  55           H        ASP  55  -3.397  11.818   1.775
  415    HA   ASP  55           HA       ASP  55  -5.572  11.802   3.660
  416    HB2  ASP  55           2HB      ASP  55  -5.696  12.426   1.148
  417    HB3  ASP  55           3HB      ASP  55  -5.692  10.716   0.828
  418    H    ILE  56           H        ILE  56  -3.989   9.229   1.711
  419    HA   ILE  56           HA       ILE  56  -5.529   7.116   2.923
  420    HB   ILE  56           HB       ILE  56  -3.281   5.810   2.083
  421   HG12  ILE  56          2HG1      ILE  56  -3.351   8.283   0.357
  422   HG13  ILE  56          3HG1      ILE  56  -1.999   7.416   1.085
  423   HG21  ILE  56          1HG2      ILE  56  -5.712   6.429   0.420
  424   HG22  ILE  56          2HG2      ILE  56  -4.635   5.015   0.278
  425   HG23  ILE  56          3HG2      ILE  56  -5.592   5.233   1.732
  426   HD11  ILE  56          3HD1      ILE  56  -2.429   5.569  -0.593
  427   HD12  ILE  56          1HD1      ILE  56  -3.680   6.594  -1.327
  428   HD13  ILE  56          2HD1      ILE  56  -1.994   7.132  -1.316
  429    H    TYR  57           H        TYR  57  -2.274   8.562   3.637
  430    HA   TYR  57           HA       TYR  57  -1.677   6.580   5.556
  431    HD1  TYR  57           HD2      TYR  57   0.360   5.966   6.384
  432    HD2  TYR  57           HD1      TYR  57   0.251  10.108   7.581
  433    HE1  TYR  57           HE2      TYR  57   1.600   5.394   8.432
  434    HE2  TYR  57           HE1      TYR  57   1.539   9.557   9.616
  435    HH   TYR  57           HH       TYR  57   2.570   7.864  10.860
  436    HB2  TYR  57           2HB      TYR  57   0.011   8.144   4.701
  437    HB3  TYR  57           3HB      TYR  57  -0.779   9.479   5.538
  438    H    ASP  58           H        ASP  58  -3.433   9.732   6.031
  439    HA   ASP  58           HA       ASP  58  -3.739   9.410   8.829
  440    HB2  ASP  58           2HB      ASP  58  -4.127  11.540   7.725
  441    HB3  ASP  58           3HB      ASP  58  -5.484  10.866   6.813
  442    H    LYS  59           H        LYS  59  -5.976   8.503   6.149
  443    HA   LYS  59           HA       LYS  59  -8.071   7.413   7.760
  444    HB2  LYS  59           2HB      LYS  59  -8.405   7.997   5.476
  445    HB3  LYS  59           3HB      LYS  59  -7.119   6.938   4.904
  446    HG2  LYS  59           2HG      LYS  59  -8.384   5.038   4.982
  447    HG3  LYS  59           3HG      LYS  59  -9.349   5.578   6.378
  448    HD2  LYS  59           2HD      LYS  59 -10.622   7.111   5.032
  449    HD3  LYS  59           3HD      LYS  59  -9.604   6.807   3.613
  450    HE2  LYS  59           2HE      LYS  59 -10.331   4.400   3.651
  451    HE3  LYS  59           3HE      LYS  59 -11.410   4.772   5.002
  452    HZ1  LYS  59           3HZ      LYS  59 -12.591   6.312   3.536
  453    HZ2  LYS  59           1HZ      LYS  59 -11.586   5.958   2.290
  454    HZ3  LYS  59           2HZ      LYS  59 -12.584   4.815   2.896
  455    H    VAL  60           H        VAL  60  -5.248   5.765   6.222
  456    HA   VAL  60           HA       VAL  60  -6.138   3.215   7.186
  457    HB   VAL  60           HB       VAL  60  -3.495   4.113   5.979
  458   HG11  VAL  60          1HG1      VAL  60  -4.588   1.298   6.499
  459   HG12  VAL  60          2HG1      VAL  60  -3.134   1.672   5.543
  460   HG13  VAL  60          3HG1      VAL  60  -3.170   2.027   7.267
  461   HG21  VAL  60          3HG2      VAL  60  -5.735   2.530   4.650
  462   HG22  VAL  60          1HG2      VAL  60  -5.679   4.292   4.570
  463   HG23  VAL  60          2HG2      VAL  60  -4.349   3.382   3.902
  464    H    SER  61           H        SER  61  -3.576   5.560   8.403
  465    HA   SER  61           HA       SER  61  -2.830   3.890  10.576
  466    HG   SER  61           HG       SER  61  -0.842   6.573   9.588
  467    HB2  SER  61           2HB      SER  61  -2.853   6.915  10.270
  468    HB3  SER  61           3HB      SER  61  -2.136   6.059  11.650
  469    H    GLY  62           H        GLY  62  -5.670   6.079  10.177
  470    HA2  GLY  62           2HA      GLY  62  -6.602   5.893  12.866
  471    HA3  GLY  62           1HA      GLY  62  -7.591   6.169  11.414
  472    H    ASP  63           H        ASP  63  -7.455   3.894   9.945
  473    HA   ASP  63           HA       ASP  63  -9.135   2.091  11.332
  474    HB2  ASP  63           2HB      ASP  63  -9.063   2.312   8.872
  475    HB3  ASP  63           3HB      ASP  63  -7.477   1.543   8.856
  476    H    MET  64           H        MET  64  -5.654   1.796  10.559
  477    HA   MET  64           HA       MET  64  -5.221  -0.755  11.690
  478    HB2  MET  64           2HB      MET  64  -3.392   1.666  11.405
  479    HB3  MET  64           3HB      MET  64  -2.826   0.070  11.852
  480    HG2  MET  64           2HG      MET  64  -4.347   0.585   9.264
  481    HG3  MET  64           3HG      MET  64  -2.612   0.657   9.384
  482    HE1  MET  64           3HE      MET  64  -5.810  -1.499   9.718
  483    HE2  MET  64           1HE      MET  64  -5.266  -1.285   8.032
  484    HE3  MET  64           2HE      MET  64  -5.273  -2.904   8.770
  485    H    GLN  65           H        GLN  65  -4.845   2.517  13.245
  486    HA   GLN  65           HA       GLN  65  -4.142   1.390  15.764
  487    HB2  GLN  65           2HB      GLN  65  -5.145   4.093  14.852
  488    HB3  GLN  65           3HB      GLN  65  -4.772   3.756  16.537
  489    HG2  GLN  65           2HG      GLN  65  -2.443   3.167  15.971
  490    HG3  GLN  65           3HG      GLN  65  -2.755   3.376  14.249
  491   HE21  GLN  65          2HE2      GLN  65  -3.735   5.594  13.674
  492   HE22  GLN  65          1HE2      GLN  65  -3.000   7.005  14.436
  493    H    LYS  66           H        LYS  66  -7.328   2.114  14.292
  494    HA   LYS  66           HA       LYS  66  -8.820   1.586  16.706
  495    HB2  LYS  66           2HB      LYS  66  -9.514   1.565  13.753
  496    HB3  LYS  66           3HB      LYS  66 -10.681   1.076  14.990
  497    HG2  LYS  66           2HG      LYS  66 -10.484   3.226  16.118
  498    HG3  LYS  66           3HG      LYS  66  -9.257   3.780  14.989
  499    HD2  LYS  66           2HD      LYS  66 -12.105   3.043  14.197
  500    HD3  LYS  66           3HD      LYS  66 -11.580   4.676  14.617
  501    HE2  LYS  66           2HE      LYS  66  -9.969   4.678  12.719
  502    HE3  LYS  66           3HE      LYS  66 -10.473   3.042  12.293
  503    HZ1  LYS  66           3HZ      LYS  66 -12.703   3.906  11.868
  504    HZ2  LYS  66           1HZ      LYS  66 -12.239   5.419  12.271
  505    HZ3  LYS  66           2HZ      LYS  66 -11.611   4.698  10.955
  506    H    GLN  67           H        GLN  67  -7.521  -0.605  14.121
  507    HA   GLN  67           HA       GLN  67  -8.549  -2.979  15.451
  508    HB2  GLN  67           2HB      GLN  67  -6.287  -2.641  13.426
  509    HB3  GLN  67           3HB      GLN  67  -6.916  -4.175  14.015
  510    HG2  GLN  67           2HG      GLN  67  -9.191  -3.523  13.137
  511    HG3  GLN  67           3HG      GLN  67  -8.455  -2.095  12.416
  512   HE21  GLN  67          2HE2      GLN  67  -8.073  -2.399  10.172
  513   HE22  GLN  67          1HE2      GLN  67  -7.623  -3.948   9.497
  514    H    GLY  68           H        GLY  68  -6.014  -0.807  16.203
  515    HA2  GLY  68           2HA      GLY  68  -4.871  -0.816  18.267
  516    HA3  GLY  68           1HA      GLY  68  -4.962  -2.568  18.343
  517    H    CYS  69           H        CYS  69  -4.151  -2.065  15.186
  518    HA   CYS  69           HA       CYS  69  -1.413  -2.848  15.391
  519    HG   CYS  69           HG       CYS  69  -3.091  -3.908  11.938
  520    HB2  CYS  69           2HB      CYS  69  -3.084  -1.616  13.170
  521    HB3  CYS  69           3HB      CYS  69  -1.426  -2.155  12.933
  522    H    ASP  70           H        ASP  70   0.451  -1.655  14.799
  523    HA   ASP  70           HA       ASP  70   0.309   1.311  15.091
  524    HB2  ASP  70           2HB      ASP  70   1.504   0.380  17.021
  525    HB3  ASP  70           3HB      ASP  70   2.518  -0.601  15.954
  526    H    CYS  71           H        CYS  71   1.398   2.401  13.415
  527    HA   CYS  71           HA       CYS  71   2.423   0.733  11.198
  528    HG   CYS  71           HG       CYS  71  -1.000   0.576   9.581
  529    HB2  CYS  71           2HB      CYS  71  -0.027   2.550  11.239
  530    HB3  CYS  71           3HB      CYS  71   0.827   2.220   9.747
  531    H    GLU  72           H        GLU  72   3.437   1.912   9.469
  532    HA   GLU  72           HA       GLU  72   4.041   4.773   9.816
  533    HB2  GLU  72           2HB      GLU  72   5.781   3.724  11.149
  534    HB3  GLU  72           3HB      GLU  72   6.043   2.468   9.933
  535    HG2  GLU  72           2HG      GLU  72   6.960   4.099   8.370
  536    HG3  GLU  72           3HG      GLU  72   6.591   5.424   9.487
  537    H    CYS  73           H        CYS  73   3.919   5.633   7.701
  538    HA   CYS  73           HA       CYS  73   3.836   3.835   5.402
  539    HG   CYS  73           HG       CYS  73   3.110   8.279   5.282
  540    HB2  CYS  73           2HB      CYS  73   3.893   6.053   4.119
  541    HB3  CYS  73           3HB      CYS  73   2.468   5.752   5.102
  542    H    LEU  74           H        LEU  74   5.651   3.016   4.481
  543    HA   LEU  74           HA       LEU  74   8.316   3.952   5.213
  544    HG   LEU  74           HG       LEU  74   6.951   0.941   5.013
  545    HB2  LEU  74           2HB      LEU  74   7.413   2.119   2.950
  546    HB3  LEU  74           3HB      LEU  74   9.074   2.431   3.432
  547   HD11  LEU  74          1HD1      LEU  74   9.706   0.090   4.014
  548   HD12  LEU  74          2HD1      LEU  74   8.496  -0.937   4.814
  549   HD13  LEU  74          3HD1      LEU  74   8.177  -0.284   3.202
  550   HD21  LEU  74          3HD2      LEU  74   9.726   1.793   5.952
  551   HD22  LEU  74          1HD2      LEU  74   8.161   2.222   6.687
  552   HD23  LEU  74          2HD2      LEU  74   8.729   0.555   6.742
  553    H    GLY  75           H        GLY  75   5.898   4.757   2.785
  554    HA2  GLY  75           2HA      GLY  75   6.782   7.309   2.385
  555    HA3  GLY  75           1HA      GLY  75   7.563   6.390   1.092
  556    H    GLY  76           H        GLY  76   6.087   7.914  -0.165
  557    HA2  GLY  76           2HA      GLY  76   3.497   6.523  -0.728
  558    HA3  GLY  76           1HA      GLY  76   3.638   8.284  -0.765
  559    H    GLY  77           H        GLY  77   2.759   7.020  -2.974
  560    HA2  GLY  77           2HA      GLY  77   4.580   7.705  -5.069
  561    HA3  GLY  77           1HA      GLY  77   4.523   5.952  -4.820
  562    H    ARG  78           H        ARG  78   3.518   5.986  -7.062
  563    HA   ARG  78           HA       ARG  78   0.617   6.054  -6.784
  564    HE   ARG  78           HE       ARG  78   1.999   8.641 -11.979
  565    HB2  ARG  78           2HB      ARG  78   0.097   7.528  -8.508
  566    HB3  ARG  78           3HB      ARG  78   1.289   8.370  -7.539
  567    HG2  ARG  78           2HG      ARG  78   3.019   7.762  -9.320
  568    HG3  ARG  78           3HG      ARG  78   1.673   7.085 -10.275
  569    HD2  ARG  78           2HD      ARG  78   0.504   9.393  -9.828
  570    HD3  ARG  78           3HD      ARG  78   2.122   9.956  -9.380
  571   HH11  ARG  78          1HH2      ARG  78   1.506  11.746 -10.307
  572   HH12  ARG  78          2HH2      ARG  78   1.536  12.691 -11.745
  573   HH21  ARG  78          1HH1      ARG  78   1.937   9.943 -13.926
  574   HH22  ARG  78          2HH1      ARG  78   1.876  11.654 -13.816
  575    H    ILE  79           H        ILE  79  -0.445   5.054  -8.610
  576    HA   ILE  79           HA       ILE  79   1.209   2.919  -9.845
  577    HB   ILE  79           HB       ILE  79  -1.543   2.762  -8.551
  578   HG12  ILE  79          2HG1      ILE  79   1.006   1.284  -7.769
  579   HG13  ILE  79          3HG1      ILE  79   0.396   2.716  -6.949
  580   HG21  ILE  79          1HG2      ILE  79   0.036   0.590 -10.040
  581   HG22  ILE  79          2HG2      ILE  79  -1.501   0.329  -9.187
  582   HG23  ILE  79          3HG2      ILE  79  -1.464   1.352 -10.602
  583   HD11  ILE  79          3HD1      ILE  79  -1.706   1.495  -6.384
  584   HD12  ILE  79          1HD1      ILE  79  -0.989   0.013  -7.062
  585   HD13  ILE  79          2HD1      ILE  79  -0.241   0.796  -5.667
  586    H    SER  80           H        SER  80   0.662   2.563 -12.012
  587    HA   SER  80           HA       SER  80  -1.633   4.065 -13.111
  588    HG   SER  80           HG       SER  80   1.178   6.287 -13.567
  589    HB2  SER  80           2HB      SER  80   1.162   4.166 -14.293
  590    HB3  SER  80           3HB      SER  80  -0.298   4.973 -14.900
  591    H    HIS  81           H        HIS  81  -2.540   3.254 -14.908
  592    HA   HIS  81           HA       HIS  81  -2.441   0.436 -15.346
  593    HD1  HIS  81           HD1      HIS  81  -2.031   3.916 -17.120
  594    HD2  HIS  81           HD2      HIS  81  -6.136   3.076 -17.504
  595    HE1  HIS  81           HE1      HIS  81  -3.079   5.947 -18.251
  596    HB2  HIS  81           2HB      HIS  81  -4.201   0.925 -17.002
  597    HB3  HIS  81           3HB      HIS  81  -4.484   1.760 -15.489
  598    H    GLN  82           H        GLN  82  -2.473  -0.468 -17.583
  599    HA   GLN  82           HA       GLN  82   0.031  -0.322 -18.857
  600    HB2  GLN  82           2HB      GLN  82  -2.563  -1.560 -19.889
  601    HB3  GLN  82           3HB      GLN  82  -0.931  -1.916 -20.432
  602    HG2  GLN  82           2HG      GLN  82  -1.189  -3.677 -19.103
  603    HG3  GLN  82           3HG      GLN  82  -0.514  -2.591 -17.898
  604   HE21  GLN  82          2HE2      GLN  82  -2.312  -5.021 -17.617
  605   HE22  GLN  82          1HE2      GLN  82  -3.725  -4.445 -16.766
  606    H    SER  83           H        SER  83  -2.157   2.112 -19.124
  607    HA   SER  83           HA       SER  83  -1.422   2.720 -21.950
  608    HG   SER  83           HG       SER  83  -4.988   2.465 -21.750
  609    HB2  SER  83           2HB      SER  83  -3.759   3.829 -20.368
  610    HB3  SER  83           3HB      SER  83  -3.401   4.087 -22.081
  611    H    GLN  84           H        GLN  84  -0.174   3.200 -19.046
  612    HA   GLN  84           HA       GLN  84   0.798   5.936 -19.729
  613    HB2  GLN  84           2HB      GLN  84  -0.637   6.004 -17.734
  614    HB3  GLN  84           3HB      GLN  84   0.295   4.698 -17.001
  615    HG2  GLN  84           2HG      GLN  84   0.836   6.853 -15.998
  616    HG3  GLN  84           3HG      GLN  84   2.248   6.160 -16.770
  617   HE21  GLN  84          2HE2      GLN  84   2.986   7.123 -18.823
  618   HE22  GLN  84          1HE2      GLN  84   2.562   8.783 -19.210
  619    H    ASP  85           H        ASP  85   1.500   2.577 -19.058
  620    HA   ASP  85           HA       ASP  85   4.271   2.935 -19.862
  621    HB2  ASP  85           2HB      ASP  85   4.468   3.076 -17.398
  622    HB3  ASP  85           3HB      ASP  85   3.467   1.637 -17.229
  623    H    LYS  86           H        LYS  86   5.097   0.644 -20.438
  624    HA   LYS  86           HA       LYS  86   3.182  -0.776 -21.965
  625    HB2  LYS  86           2HB      LYS  86   5.904  -1.661 -20.911
  626    HB3  LYS  86           3HB      LYS  86   4.961  -2.522 -22.133
  627    HG2  LYS  86           2HG      LYS  86   5.049  -0.535 -23.624
  628    HG3  LYS  86           3HG      LYS  86   6.039   0.320 -22.425
  629    HD2  LYS  86           2HD      LYS  86   7.785  -1.435 -22.610
  630    HD3  LYS  86           3HD      LYS  86   6.800  -2.283 -23.823
  631    HE2  LYS  86           2HE      LYS  86   6.892  -0.278 -25.292
  632    HE3  LYS  86           3HE      LYS  86   7.870   0.566 -24.085
  633    HZ1  LYS  86           3HZ      LYS  86   9.595  -1.111 -24.406
  634    HZ2  LYS  86           1HZ      LYS  86   8.691  -1.892 -25.522
  635    HZ3  LYS  86           2HZ      LYS  86   9.241  -0.390 -25.821
  636    H    LYS  87           H        LYS  87   4.009  -1.128 -18.532
  637    HA   LYS  87           HA       LYS  87   2.070  -3.381 -18.336
  638    HB2  LYS  87           2HB      LYS  87   4.926  -3.431 -17.721
  639    HB3  LYS  87           3HB      LYS  87   4.039  -3.551 -16.222
  640    HG2  LYS  87           2HG      LYS  87   4.562  -5.753 -17.079
  641    HG3  LYS  87           3HG      LYS  87   2.814  -5.518 -17.051
  642    HD2  LYS  87           2HD      LYS  87   2.791  -5.111 -19.471
  643    HD3  LYS  87           3HD      LYS  87   4.548  -5.196 -19.557
  644    HE2  LYS  87           2HE      LYS  87   2.828  -7.516 -18.566
  645    HE3  LYS  87           3HE      LYS  87   3.100  -7.222 -20.283
  646    HZ1  LYS  87           3HZ      LYS  87   5.500  -7.417 -19.869
  647    HZ2  LYS  87           1HZ      LYS  87   5.229  -7.843 -18.302
  648    HZ3  LYS  87           2HZ      LYS  87   4.693  -8.783 -19.516
  649    H    ILE  88           H        ILE  88   1.589  -3.555 -15.732
  650    HA   ILE  88           HA       ILE  88   0.465  -0.956 -14.950
  651    HB   ILE  88           HB       ILE  88   0.813  -3.544 -13.368
  652   HG12  ILE  88          2HG1      ILE  88  -1.707  -2.476 -14.728
  653   HG13  ILE  88          3HG1      ILE  88  -0.696  -3.753 -15.393
  654   HG21  ILE  88          1HG2      ILE  88  -0.953  -1.110 -12.799
  655   HG22  ILE  88          2HG2      ILE  88  -0.796  -2.561 -11.783
  656   HG23  ILE  88          3HG2      ILE  88   0.565  -1.467 -11.961
  657   HD11  ILE  88          3HD1      ILE  88  -1.116  -5.145 -13.359
  658   HD12  ILE  88          1HD1      ILE  88  -2.280  -3.915 -12.806
  659   HD13  ILE  88          2HD1      ILE  88  -2.566  -4.787 -14.316
  660    H    HIS  89           H        HIS  89   1.624   0.552 -13.681
  661    HA   HIS  89           HA       HIS  89   4.414  -0.267 -12.989
  662    HD1  HIS  89           HD1      HIS  89   6.452  -0.279 -14.692
  663    HD2  HIS  89           HD2      HIS  89   5.955   3.774 -13.662
  664    HE1  HIS  89           HE1      HIS  89   8.800   0.724 -14.522
  665    HB2  HIS  89           2HB      HIS  89   4.000   1.027 -15.180
  666    HB3  HIS  89           3HB      HIS  89   3.716   2.432 -14.148
  667    H    VAL  90           H        VAL  90   5.394   0.808 -11.270
  668    HA   VAL  90           HA       VAL  90   3.668   2.499  -9.542
  669    HB   VAL  90           HB       VAL  90   5.562   0.341  -8.552
  670   HG11  VAL  90          1HG1      VAL  90   3.245   1.812  -7.185
  671   HG12  VAL  90          2HG1      VAL  90   4.355   0.653  -6.420
  672   HG13  VAL  90          3HG1      VAL  90   4.950   2.216  -6.998
  673   HG21  VAL  90          3HG2      VAL  90   2.550   0.079  -8.972
  674   HG22  VAL  90          1HG2      VAL  90   3.829  -0.896  -9.719
  675   HG23  VAL  90          2HG2      VAL  90   3.536  -1.027  -7.985
  676    H    TYR  91           H        TYR  91   4.782   4.263  -8.675
  677    HA   TYR  91           HA       TYR  91   7.647   4.594  -8.694
  678    HD1  TYR  91           HD2      TYR  91   4.781   4.095 -11.540
  679    HD2  TYR  91           HD1      TYR  91   6.372   8.086 -11.206
  680    HE1  TYR  91           HE2      TYR  91   2.926   4.927 -12.881
  681    HE2  TYR  91           HE1      TYR  91   4.588   8.919 -12.689
  682    HH   TYR  91           HH       TYR  91   2.953   8.194 -14.278
  683    HB2  TYR  91           2HB      TYR  91   7.721   6.251 -10.524
  684    HB3  TYR  91           3HB      TYR  91   7.341   4.664 -11.115
  685    H    GLY  92           H        GLY  92   7.773   7.397  -8.732
  686    HA2  GLY  92           2HA      GLY  92   6.522   9.314  -8.182
  687    HA3  GLY  92           1HA      GLY  92   5.395   8.369  -7.233
  688    H    TYR  93           H        TYR  93   5.812  10.218  -5.786
  689    HA   TYR  93           HA       TYR  93   7.925   9.800  -3.813
  690    HD1  TYR  93           HD2      TYR  93  10.517  11.254  -3.481
  691    HD2  TYR  93           HD1      TYR  93   7.397  14.102  -4.351
  692    HE1  TYR  93           HE2      TYR  93  11.530  12.851  -1.871
  693    HE2  TYR  93           HE1      TYR  93   8.415  15.715  -2.782
  694    HH   TYR  93           HH       TYR  93  10.171  16.130  -1.294
  695    HB2  TYR  93           2HB      TYR  93   9.080  11.095  -5.539
  696    HB3  TYR  93           3HB      TYR  93   7.704  12.166  -5.731
  697    H    SER  94           H        SER  94   7.414  11.041  -1.908
  698    HA   SER  94           HA       SER  94   4.900  12.617  -1.860
  699    HG   SER  94           HG       SER  94   4.051  12.574   0.629
  700    HB2  SER  94           2HB      SER  94   4.284  10.601  -0.695
  701    HB3  SER  94           3HB      SER  94   5.871  10.461   0.045
  702    H    MET  95           H        MET  95   5.182  14.529  -0.616
  703    HA   MET  95           HA       MET  95   8.016  15.211  -0.064
  704    HB2  MET  95           2HB      MET  95   7.225  17.469   0.354
  705    HB3  MET  95           3HB      MET  95   6.794  16.906  -1.261
  706    HG2  MET  95           2HG      MET  95   4.486  16.549  -0.580
  707    HG3  MET  95           3HG      MET  95   4.875  16.881   1.100
  708    HE1  MET  95           3HE      MET  95   6.054  18.907  -2.191
  709    HE2  MET  95           1HE      MET  95   4.377  18.391  -2.494
  710    HE3  MET  95           2HE      MET  95   4.753  20.111  -2.253
  711    H    ALA  96           H        ALA  96   4.878  14.525   1.609
  712    HA   ALA  96           HA       ALA  96   5.995  15.371   4.162
  713    HB1  ALA  96           3HB      ALA  96   3.617  15.543   3.777
  714    HB2  ALA  96           1HB      ALA  96   3.499  13.799   3.464
  715    HB3  ALA  96           2HB      ALA  96   3.911  14.388   5.090
  716    H    TYR  97           H        TYR  97   5.931  12.295   2.394
  717    HA   TYR  97           HA       TYR  97   7.117  10.943   4.781
  718    HD1  TYR  97           HD2      TYR  97   5.154  10.334   6.456
  719    HD2  TYR  97           HD1      TYR  97   3.229  11.047   2.662
  720    HE1  TYR  97           HE2      TYR  97   3.226  11.361   7.625
  721    HE2  TYR  97           HE1      TYR  97   1.311  12.025   3.800
  722    HH   TYR  97           HH       TYR  97   0.406  12.724   5.867
  723    HB2  TYR  97           2HB      TYR  97   5.238   9.746   2.731
  724    HB3  TYR  97           3HB      TYR  97   5.775   9.029   4.242
  725    H    GLY  98           H        GLY  98   7.855  11.767   1.546
  726    HA2  GLY  98           2HA      GLY  98   9.791  11.264   0.407
  727    HA3  GLY  98           1HA      GLY  98  10.187  10.002   1.575
  728    HA   PRO  99           HA       PRO  99   8.373   8.109  -2.367
  729    HB2  PRO  99           2HB      PRO  99  10.598   6.927  -3.426
  730    HB3  PRO  99           3HB      PRO  99  10.147   8.623  -3.774
  731    HG2  PRO  99           2HG      PRO  99  12.190   7.601  -1.793
  732    HG3  PRO  99           3HG      PRO  99  12.330   8.978  -2.927
  733    HD2  PRO  99           2HD      PRO  99  11.666   9.229  -0.247
  734    HD3  PRO  99           3HD      PRO  99  11.129  10.386  -1.492
  735    H    ALA 100           H        ALA 100   7.551   6.066  -2.130
  736    HA   ALA 100           HA       ALA 100   8.302   4.381   0.104
  737    HB1  ALA 100           3HB      ALA 100   6.003   4.440  -0.796
  738    HB2  ALA 100           1HB      ALA 100   6.599   3.867  -2.360
  739    HB3  ALA 100           2HB      ALA 100   6.682   2.812  -0.935
  740    H    GLN 101           H        GLN 101   8.811   1.982  -0.323
  741    HA   GLN 101           HA       GLN 101  11.364   1.796  -1.582
  742    HB2  GLN 101           2HB      GLN 101   9.459  -0.441  -0.742
  743    HB3  GLN 101           3HB      GLN 101  11.164  -0.638  -1.135
  744    HG2  GLN 101           2HG      GLN 101  10.015   0.879   1.240
  745    HG3  GLN 101           3HG      GLN 101  10.876  -0.659   1.255
  746   HE21  GLN 101          2HE2      GLN 101  13.223  -0.632   0.516
  747   HE22  GLN 101          1HE2      GLN 101  14.154   0.810   0.822
  748    H    HIS 102           H        HIS 102   8.127   1.102  -2.750
  749    HA   HIS 102           HA       HIS 102   7.200   0.396  -4.602
  750    HD1  HIS 102           HD1      HIS 102   9.649   4.082  -5.717
  751    HD2  HIS 102           HD2      HIS 102   5.938   2.241  -4.933
  752    HE1  HIS 102           HE1      HIS 102   8.050   5.919  -5.050
  753    HB2  HIS 102           2HB      HIS 102   9.666   1.437  -5.930
  754    HB3  HIS 102           3HB      HIS 102   8.172   0.968  -6.756
  755    H    ALA 103           H        ALA 103  10.382  -1.072  -4.174
  756    HA   ALA 103           HA       ALA 103   9.972  -3.371  -5.784
  757    HB1  ALA 103           3HB      ALA 103  12.157  -2.741  -4.809
  758    HB2  ALA 103           1HB      ALA 103  11.529  -3.018  -3.167
  759    HB3  ALA 103           2HB      ALA 103  11.703  -4.378  -4.297
  760    H    ILE 104           H        ILE 104   9.181  -2.780  -2.301
  761    HA   ILE 104           HA       ILE 104   8.072  -5.364  -1.817
  762    HB   ILE 104           HB       ILE 104   7.388  -2.687  -0.517
  763   HG12  ILE 104          2HG1      ILE 104   9.420  -4.803   0.340
  764   HG13  ILE 104          3HG1      ILE 104   9.823  -3.256  -0.407
  765   HG21  ILE 104          1HG2      ILE 104   6.970  -5.527   0.533
  766   HG22  ILE 104          2HG2      ILE 104   6.581  -4.024   1.397
  767   HG23  ILE 104          3HG2      ILE 104   5.684  -4.448  -0.048
  768   HD11  ILE 104          3HD1      ILE 104   8.749  -2.067   1.509
  769   HD12  ILE 104          1HD1      ILE 104   8.585  -3.641   2.331
  770   HD13  ILE 104          2HD1      ILE 104  10.188  -3.021   1.925
  771    H    SER 105           H        SER 105   6.617  -2.254  -2.932
  772    HA   SER 105           HA       SER 105   3.971  -2.959  -2.932
  773    HG   SER 105           HG       SER 105   5.325   0.402  -3.392
  774    HB2  SER 105           2HB      SER 105   5.081  -1.205  -5.116
  775    HB3  SER 105           3HB      SER 105   3.682  -0.952  -4.057
  776    H    THR 106           H        THR 106   6.329  -3.243  -5.730
  777    HA   THR 106           HA       THR 106   4.321  -4.294  -7.454
  778    HB   THR 106           HB       THR 106   6.356  -5.088  -8.783
  779    HG1  THR 106           1HG      THR 106   8.329  -4.514  -8.073
  780   HG21  THR 106          3HG2      THR 106   5.163  -2.981  -9.174
  781   HG22  THR 106          1HG2      THR 106   6.177  -2.156  -7.970
  782   HG23  THR 106          2HG2      THR 106   6.901  -2.806  -9.459
  783    H    GLU 107           H        GLU 107   6.778  -5.975  -5.363
  784    HA   GLU 107           HA       GLU 107   6.076  -8.544  -6.304
  785    HB2  GLU 107           2HB      GLU 107   7.176  -7.651  -3.612
  786    HB3  GLU 107           3HB      GLU 107   7.009  -9.342  -4.086
  787    HG2  GLU 107           2HG      GLU 107   8.714  -7.266  -5.530
  788    HG3  GLU 107           3HG      GLU 107   9.306  -8.516  -4.446
  789    H    LYS 108           H        LYS 108   4.579  -6.614  -3.642
  790    HA   LYS 108           HA       LYS 108   2.722  -8.718  -2.949
  791    HB2  LYS 108           2HB      LYS 108   2.508  -5.695  -2.572
  792    HB3  LYS 108           3HB      LYS 108   1.401  -6.884  -1.896
  793    HG2  LYS 108           2HG      LYS 108   4.273  -6.398  -1.093
  794    HG3  LYS 108           3HG      LYS 108   2.803  -6.251  -0.142
  795    HD2  LYS 108           2HD      LYS 108   2.555  -8.835  -0.559
  796    HD3  LYS 108           3HD      LYS 108   4.233  -8.758  -1.083
  797    HE2  LYS 108           2HE      LYS 108   4.214  -9.430   1.203
  798    HE3  LYS 108           3HE      LYS 108   4.864  -7.787   1.146
  799    HZ1  LYS 108           3HZ      LYS 108   2.828  -6.956   2.052
  800    HZ2  LYS 108           1HZ      LYS 108   1.998  -8.327   1.739
  801    HZ3  LYS 108           2HZ      LYS 108   3.136  -8.301   2.908
  802    H    ILE 109           H        ILE 109   2.385  -5.882  -5.191
  803    HA   ILE 109           HA       ILE 109  -0.337  -6.512  -5.779
  804    HB   ILE 109           HB       ILE 109   1.668  -4.929  -7.437
  805   HG12  ILE 109          2HG1      ILE 109  -0.553  -3.787  -5.672
  806   HG13  ILE 109          3HG1      ILE 109   1.024  -4.110  -5.001
  807   HG21  ILE 109          1HG2      ILE 109  -1.402  -4.896  -7.539
  808   HG22  ILE 109          2HG2      ILE 109  -0.305  -3.940  -8.556
  809   HG23  ILE 109          3HG2      ILE 109  -0.393  -5.686  -8.745
  810   HD11  ILE 109          3HD1      ILE 109   2.078  -2.621  -6.703
  811   HD12  ILE 109          1HD1      ILE 109   0.461  -2.215  -7.321
  812   HD13  ILE 109          2HD1      ILE 109   0.911  -1.782  -5.667
  813    H    LYS 110           H        LYS 110   2.735  -7.545  -7.405
  814    HA   LYS 110           HA       LYS 110   1.561  -9.020  -9.540
  815    HB2  LYS 110           2HB      LYS 110   4.065  -9.556  -7.889
  816    HB3  LYS 110           3HB      LYS 110   3.632 -10.478  -9.322
  817    HG2  LYS 110           2HG      LYS 110   3.977  -8.608 -10.787
  818    HG3  LYS 110           3HG      LYS 110   4.174  -7.487  -9.433
  819    HD2  LYS 110           2HD      LYS 110   6.113  -8.888  -8.627
  820    HD3  LYS 110           3HD      LYS 110   5.979  -9.856 -10.104
  821    HE2  LYS 110           2HE      LYS 110   6.488  -7.849 -11.461
  822    HE3  LYS 110           3HE      LYS 110   6.510  -6.857 -10.000
  823    HZ1  LYS 110           3HZ      LYS 110   8.364  -8.286  -9.197
  824    HZ2  LYS 110           1HZ      LYS 110   8.409  -9.027 -10.655
  825    HZ3  LYS 110           2HZ      LYS 110   8.744  -7.434 -10.557
  826    H    ALA 111           H        ALA 111   2.432 -10.067  -6.180
  827    HA   ALA 111           HA       ALA 111   1.584 -12.735  -6.514
  828    HB1  ALA 111           3HB      ALA 111   3.042 -11.989  -4.680
  829    HB2  ALA 111           1HB      ALA 111   1.712 -11.043  -3.976
  830    HB3  ALA 111           2HB      ALA 111   1.609 -12.816  -4.040
  831    H    LYS 112           H        LYS 112  -0.283  -9.837  -5.522
  832    HA   LYS 112           HA       LYS 112  -2.648 -11.498  -4.958
  833    HB2  LYS 112           2HB      LYS 112  -1.893  -8.613  -4.479
  834    HB3  LYS 112           3HB      LYS 112  -3.594  -9.053  -4.550
  835    HG2  LYS 112           2HG      LYS 112  -2.990  -9.181  -2.263
  836    HG3  LYS 112           3HG      LYS 112  -3.246 -10.820  -2.847
  837    HD2  LYS 112           2HD      LYS 112  -0.663 -10.972  -3.075
  838    HD3  LYS 112           3HD      LYS 112  -0.615  -9.446  -2.176
  839    HE2  LYS 112           2HE      LYS 112  -2.052 -10.646  -0.405
  840    HE3  LYS 112           3HE      LYS 112  -1.787 -12.133  -1.314
  841    HZ1  LYS 112           3HZ      LYS 112   0.628 -11.790  -0.960
  842    HZ2  LYS 112           1HZ      LYS 112   0.301 -10.462  -0.029
  843    HZ3  LYS 112           2HZ      LYS 112  -0.182 -11.951   0.445
  844    H    TYR 113           H        TYR 113  -1.444  -9.819  -7.740
  845    HA   TYR 113           HA       TYR 113  -4.011 -10.420  -9.106
  846    HD1  TYR 113           HD2      TYR 113  -5.944  -8.971  -9.756
  847    HD2  TYR 113           HD1      TYR 113  -2.535  -7.378 -11.872
  848    HE1  TYR 113           HE2      TYR 113  -7.369  -8.571 -11.740
  849    HE2  TYR 113           HE1      TYR 113  -3.958  -6.951 -13.851
  850    HH   TYR 113           HH       TYR 113  -6.100  -7.101 -14.767
  851    HB2  TYR 113           2HB      TYR 113  -3.780  -7.979  -8.598
  852    HB3  TYR 113           3HB      TYR 113  -2.318  -7.940  -9.568
  853    HA   PRO 114           HA       PRO 114  -0.166 -12.333 -10.951
  854    HB2  PRO 114           2HB      PRO 114  -0.862 -14.976 -10.932
  855    HB3  PRO 114           3HB      PRO 114  -0.234 -14.130  -9.485
  856    HG2  PRO 114           2HG      PRO 114  -3.137 -14.645 -10.222
  857    HG3  PRO 114           3HG      PRO 114  -2.316 -14.991  -8.664
  858    HD2  PRO 114           2HD      PRO 114  -3.757 -12.713  -9.045
  859    HD3  PRO 114           3HD      PRO 114  -2.248 -12.715  -8.086
  860    H    ASP 115           H        ASP 115  -3.457 -12.062 -11.844
  861    HA   ASP 115           HA       ASP 115  -3.534 -13.397 -14.354
  862    HB2  ASP 115           2HB      ASP 115  -5.511 -12.531 -13.140
  863    HB3  ASP 115           3HB      ASP 115  -4.959 -10.877 -13.416
  864    H    TYR 116           H        TYR 116  -1.787 -10.542 -13.349
  865    HA   TYR 116           HA       TYR 116  -0.793 -10.180 -16.074
  866    HD1  TYR 116           HD1      TYR 116  -2.102  -9.194 -18.020
  867    HD2  TYR 116           HD2      TYR 116  -0.359  -6.039 -15.655
  868    HE1  TYR 116           HE1      TYR 116  -1.228  -8.145 -20.083
  869    HE2  TYR 116           HE2      TYR 116   0.544  -4.997 -17.712
  870    HH   TYR 116           HH       TYR 116   0.004  -6.376 -20.982
  871    HB2  TYR 116           2HB      TYR 116  -2.834  -8.596 -15.583
  872    HB3  TYR 116           3HB      TYR 116  -1.694  -7.708 -14.580
  873    H    GLU 117           H        GLU 117   0.776  -7.863 -15.486
  874    HA   GLU 117           HA       GLU 117   2.590  -8.820 -13.336
  875    HB2  GLU 117           2HB      GLU 117   3.243  -9.731 -15.575
  876    HB3  GLU 117           3HB      GLU 117   3.370  -8.079 -16.188
  877    HG2  GLU 117           2HG      GLU 117   5.200  -7.620 -14.578
  878    HG3  GLU 117           3HG      GLU 117   5.004  -9.231 -13.877
  879    H    VAL 118           H        VAL 118   4.176  -7.100 -12.728
  880    HA   VAL 118           HA       VAL 118   3.143  -4.368 -13.103
  881    HB   VAL 118           HB       VAL 118   3.880  -5.376 -10.352
  882   HG11  VAL 118          1HG1      VAL 118   1.901  -3.239 -11.220
  883   HG12  VAL 118          2HG1      VAL 118   2.509  -3.534  -9.580
  884   HG13  VAL 118          3HG1      VAL 118   3.595  -2.919 -10.841
  885   HG21  VAL 118          3HG2      VAL 118   1.042  -5.556 -11.450
  886   HG22  VAL 118          1HG2      VAL 118   2.063  -6.936 -10.984
  887   HG23  VAL 118          2HG2      VAL 118   1.559  -5.792  -9.763
  888    H    THR 119           H        THR 119   4.851  -2.806 -12.920
  889    HA   THR 119           HA       THR 119   7.589  -3.796 -12.293
  890    HB   THR 119           HB       THR 119   8.284  -2.310 -14.267
  891    HG1  THR 119           1HG      THR 119   6.568  -2.205 -15.893
  892   HG21  THR 119          3HG2      THR 119   8.332  -4.769 -14.359
  893   HG22  THR 119          1HG2      THR 119   6.648  -4.793 -14.937
  894   HG23  THR 119          2HG2      THR 119   7.927  -4.055 -15.928
  895    H    TRP 120           H        TRP 120   9.124  -1.834 -12.035
  896    HA   TRP 120           HA       TRP 120   7.767   0.640 -11.351
  897    HD1  TRP 120           HD1      TRP 120   9.297  -2.860  -9.194
  898    HE1  TRP 120           HE1      TRP 120  11.513  -3.334  -8.029
  899    HE3  TRP 120           HE3      TRP 120  10.851   1.993  -8.425
  900    HZ2  TRP 120           HZ2      TRP 120  13.674  -1.817  -6.848
  901    HZ3  TRP 120           HZ3      TRP 120  13.002   2.406  -7.261
  902    HH2  TRP 120           HH2      TRP 120  14.409   0.534  -6.474
  903    HB2  TRP 120           2HB      TRP 120   8.636   0.913  -9.155
  904    HB3  TRP 120           3HB      TRP 120   7.723  -0.575  -9.177
  905    H    ALA 121           H        ALA 121   9.194   2.417 -11.232
  906    HA   ALA 121           HA       ALA 121  12.063   2.149 -11.350
  907    HB1  ALA 121           3HB      ALA 121  11.596   1.886 -13.779
  908    HB2  ALA 121           1HB      ALA 121  10.574   3.339 -13.754
  909    HB3  ALA 121           2HB      ALA 121  12.319   3.472 -13.454
  910    H    ASN 122           H        ASN 122  12.569   3.771  -9.859
  911    HA   ASN 122           HA       ASN 122  10.415   5.477  -9.066
  912    HB2  ASN 122           2HB      ASN 122  12.491   4.485  -7.679
  913    HB3  ASN 122           3HB      ASN 122  13.138   6.094  -7.987
  914   HD21  ASN 122          2HD2      ASN 122  11.016   7.810  -7.742
  915   HD22  ASN 122          1HD2      ASN 122  10.081   7.571  -6.277
  916    H    ASP 123           H        ASP 123  12.431   5.859 -11.668
  917    HA   ASP 123           HA       ASP 123  13.393   8.508 -11.597
  918    HB2  ASP 123           2HB      ASP 123  14.068   6.854 -13.274
  919    HB3  ASP 123           3HB      ASP 123  12.421   6.799 -13.914
  920    H    GLY 124           H        GLY 124  10.147   7.268 -12.242
  921    HA2  GLY 124           2HA      GLY 124   9.101   9.817 -13.245
  922    HA3  GLY 124           1HA      GLY 124   8.175   8.365 -12.851
  923    H    TYR 125           H        TYR 125   8.186  11.409 -12.031
  924    HA   TYR 125           HA       TYR 125   6.953  10.928  -9.473
  925    HD1  TYR 125           HD1      TYR 125  10.997  11.707 -10.484
  926    HD2  TYR 125           HD2      TYR 125   8.504  14.856  -8.905
  927    HE1  TYR 125           HE1      TYR 125  12.531  13.391 -11.447
  928    HE2  TYR 125           HE2      TYR 125  10.032  16.551  -9.864
  929    HH   TYR 125           HH       TYR 125  12.977  15.664 -11.732
  930    HB2  TYR 125           2HB      TYR 125   8.207  12.541  -8.184
  931    HB3  TYR 125           3HB      TYR 125   9.283  11.267  -8.712
  Start of MODEL    5
    1    HA   MET   1           HA       MET   1 -15.440  -5.391  19.070
    2    H1   MET   1           H1       MET   1 -17.182  -7.584  19.592
    3    H2   MET   1           H2       MET   1 -17.494  -6.140  18.886
    4    H3   MET   1           H3       MET   1 -17.459  -6.259  20.524
    5    HB2  MET   1           2HB      MET   1 -15.669  -5.331  21.572
    6    HB3  MET   1           3HB      MET   1 -15.072  -6.991  21.644
    7    HG2  MET   1           2HG      MET   1 -13.319  -5.294  22.104
    8    HG3  MET   1           3HG      MET   1 -12.928  -6.314  20.732
    9    HE1  MET   1           3HE      MET   1 -15.171  -2.987  21.171
   10    HE2  MET   1           1HE      MET   1 -13.642  -2.740  22.048
   11    HE3  MET   1           2HE      MET   1 -13.988  -1.801  20.580
   12    H    ALA   2           H        ALA   2 -13.339  -6.244  18.311
   13    HA   ALA   2           HA       ALA   2 -13.075  -9.156  18.007
   14    HB1  ALA   2           3HB      ALA   2 -14.399  -8.471  16.016
   15    HB2  ALA   2           1HB      ALA   2 -13.177  -7.238  15.626
   16    HB3  ALA   2           2HB      ALA   2 -12.763  -8.964  15.556
   17    H    VAL   3           H        VAL   3 -10.908  -9.617  16.943
   18    HA   VAL   3           HA       VAL   3  -8.847  -7.562  17.503
   19    HB   VAL   3           HB       VAL   3  -8.688 -10.463  18.447
   20   HG11  VAL   3          1HG1      VAL   3  -6.899  -8.050  18.999
   21   HG12  VAL   3          2HG1      VAL   3  -6.711  -9.666  19.708
   22   HG13  VAL   3          3HG1      VAL   3  -6.505  -9.444  17.971
   23   HG21  VAL   3          3HG2      VAL   3  -9.360  -7.984  20.075
   24   HG22  VAL   3          1HG2      VAL   3 -10.340  -9.449  19.878
   25   HG23  VAL   3          2HG2      VAL   3  -8.827  -9.527  20.776
   26    H    ALA   4           H        ALA   4  -7.682  -7.372  15.670
   27    HA   ALA   4           HA       ALA   4  -7.900  -9.276  13.474
   28    HB1  ALA   4           3HB      ALA   4  -7.801  -6.808  13.142
   29    HB2  ALA   4           1HB      ALA   4  -6.145  -6.799  13.806
   30    HB3  ALA   4           2HB      ALA   4  -6.501  -7.645  12.287
   31    H    ASP   5           H        ASP   5  -5.577  -9.570  12.320
   32    HA   ASP   5           HA       ASP   5  -3.298 -10.049  14.036
   33    HB2  ASP   5           2HB      ASP   5  -4.404 -12.247  14.274
   34    HB3  ASP   5           3HB      ASP   5  -4.626 -12.352  12.527
   35    H    LEU   6           H        LEU   6  -1.398  -9.970  12.630
   36    HA   LEU   6           HA       LEU   6  -1.697  -8.277  10.444
   37    HG   LEU   6           HG       LEU   6   0.353  -8.607  12.942
   38    HB2  LEU   6           2HB      LEU   6   0.602 -10.172  11.074
   39    HB3  LEU   6           3HB      LEU   6   0.657  -8.845   9.927
   40   HD11  LEU   6          1HD1      LEU   6   2.566  -7.699  11.052
   41   HD12  LEU   6          2HD1      LEU   6   2.551  -7.540  12.815
   42   HD13  LEU   6          3HD1      LEU   6   2.626  -9.145  12.085
   43   HD21  LEU   6          3HD2      LEU   6   0.345  -6.413  10.823
   44   HD22  LEU   6          1HD2      LEU   6  -0.957  -6.800  11.975
   45   HD23  LEU   6          2HD2      LEU   6   0.560  -6.140  12.567
   46    H    ALA   7           H        ALA   7  -1.679 -11.860  10.407
   47    HA   ALA   7           HA       ALA   7  -1.219 -12.068   7.600
   48    HB1  ALA   7           3HB      ALA   7  -0.810 -13.919   9.191
   49    HB2  ALA   7           1HB      ALA   7  -2.560 -14.029   9.507
   50    HB3  ALA   7           2HB      ALA   7  -1.921 -14.403   7.896
   51    H    LEU   8           H        LEU   8  -4.080 -11.325   9.503
   52    HA   LEU   8           HA       LEU   8  -5.994 -12.189   7.448
   53    HG   LEU   8           HG       LEU   8  -5.671 -12.923  10.497
   54    HB2  LEU   8           2HB      LEU   8  -6.378 -10.566   9.999
   55    HB3  LEU   8           3HB      LEU   8  -7.667 -11.186   8.982
   56   HD11  LEU   8          1HD1      LEU   8  -8.597 -12.301  11.082
   57   HD12  LEU   8          2HD1      LEU   8  -7.565 -13.438  11.980
   58   HD13  LEU   8          3HD1      LEU   8  -7.197 -11.709  12.002
   59   HD21  LEU   8          3HD2      LEU   8  -8.168 -13.678   8.916
   60   HD22  LEU   8          1HD2      LEU   8  -6.488 -14.098   8.509
   61   HD23  LEU   8          2HD2      LEU   8  -7.234 -14.779   9.954
   62    H    ILE   9           H        ILE   9  -4.183  -9.285   8.231
   63    HA   ILE   9           HA       ILE   9  -6.046  -7.379   7.270
   64    HB   ILE   9           HB       ILE   9  -3.022  -7.129   7.309
   65   HG12  ILE   9          2HG1      ILE   9  -5.072  -6.498   9.497
   66   HG13  ILE   9          3HG1      ILE   9  -3.895  -7.808   9.532
   67   HG21  ILE   9          1HG2      ILE   9  -5.210  -5.019   7.354
   68   HG22  ILE   9          2HG2      ILE   9  -3.464  -4.695   7.467
   69   HG23  ILE   9          3HG2      ILE   9  -4.121  -5.378   5.992
   70   HD11  ILE   9          3HD1      ILE   9  -2.048  -6.106   9.454
   71   HD12  ILE   9          1HD1      ILE   9  -3.292  -4.857   9.715
   72   HD13  ILE   9          2HD1      ILE   9  -3.044  -6.117  10.926
   73    HA   PRO  10           HA       PRO  10  -5.801  -8.167   2.794
   74    HB2  PRO  10           2HB      PRO  10  -6.409  -5.204   2.872
   75    HB3  PRO  10           3HB      PRO  10  -7.062  -6.452   1.762
   76    HG2  PRO  10           2HG      PRO  10  -8.525  -5.638   3.884
   77    HG3  PRO  10           3HG      PRO  10  -8.399  -7.394   3.527
   78    HD2  PRO  10           2HD      PRO  10  -6.892  -5.779   5.592
   79    HD3  PRO  10           3HD      PRO  10  -7.625  -7.404   5.735
   80    H    ASP  11           H        ASP  11  -3.857  -8.416   1.926
   81    HA   ASP  11           HA       ASP  11  -1.572  -6.940   2.763
   82    HB2  ASP  11           2HB      ASP  11  -1.771  -9.378   2.040
   83    HB3  ASP  11           3HB      ASP  11  -1.810  -8.803   0.369
   84    H    VAL  12           H        VAL  12  -3.658  -6.728  -0.069
   85    HA   VAL  12           HA       VAL  12  -2.535  -4.112  -0.757
   86    HB   VAL  12           HB       VAL  12  -3.076  -6.307  -2.799
   87   HG11  VAL  12          1HG1      VAL  12  -2.085  -3.467  -3.270
   88   HG12  VAL  12          2HG1      VAL  12  -2.280  -4.735  -4.502
   89   HG13  VAL  12          3HG1      VAL  12  -3.694  -4.097  -3.678
   90   HG21  VAL  12          3HG2      VAL  12  -0.417  -5.114  -1.970
   91   HG22  VAL  12          1HG2      VAL  12  -0.937  -6.805  -1.837
   92   HG23  VAL  12          2HG2      VAL  12  -0.674  -6.093  -3.428
   93    H    ASP  13           H        ASP  13  -4.272  -2.743  -1.141
   94    HA   ASP  13           HA       ASP  13  -6.761  -3.792  -2.240
   95    HB2  ASP  13           2HB      ASP  13  -7.313  -4.066   0.114
   96    HB3  ASP  13           3HB      ASP  13  -6.742  -2.438   0.485
   97    H    ILE  14           H        ILE  14  -6.942  -2.431  -3.948
   98    HA   ILE  14           HA       ILE  14  -6.286   0.423  -3.659
   99    HB   ILE  14           HB       ILE  14  -4.872   0.336  -5.685
  100   HG12  ILE  14          2HG1      ILE  14  -4.897  -2.700  -5.361
  101   HG13  ILE  14          3HG1      ILE  14  -5.684  -1.798  -6.656
  102   HG21  ILE  14          1HG2      ILE  14  -3.696  -1.414  -3.489
  103   HG22  ILE  14          2HG2      ILE  14  -2.831  -0.324  -4.595
  104   HG23  ILE  14          3HG2      ILE  14  -3.911   0.340  -3.375
  105   HD11  ILE  14          3HD1      ILE  14  -3.434  -0.922  -7.361
  106   HD12  ILE  14          1HD1      ILE  14  -2.690  -2.010  -6.162
  107   HD13  ILE  14          2HD1      ILE  14  -3.623  -2.680  -7.507
  108    H    ASP  15           H        ASP  15  -7.026   1.674  -5.496
  109    HA   ASP  15           HA       ASP  15  -9.563   0.705  -6.615
  110    HB2  ASP  15           2HB      ASP  15  -9.006   3.078  -5.766
  111    HB3  ASP  15           3HB      ASP  15  -8.170   3.306  -7.303
  112    H    SER  16           H        SER  16  -9.700   1.518  -9.195
  113    HA   SER  16           HA       SER  16  -7.397   0.545 -10.736
  114    HG   SER  16           HG       SER  16  -8.929  -2.685 -10.281
  115    HB2  SER  16           2HB      SER  16 -10.115  -0.815 -10.968
  116    HB3  SER  16           3HB      SER  16  -8.671  -1.166 -11.925
  117    H    ASP  17           H        ASP  17  -9.871   2.827 -10.405
  118    HA   ASP  17           HA       ASP  17 -11.041   2.851 -12.985
  119    HB2  ASP  17           2HB      ASP  17 -12.025   3.929 -11.020
  120    HB3  ASP  17           3HB      ASP  17 -10.680   5.072 -10.942
  121    H    GLY  18           H        GLY  18  -7.938   4.133 -11.924
  122    HA2  GLY  18           2HA      GLY  18  -6.965   4.835 -14.478
  123    HA3  GLY  18           1HA      GLY  18  -7.630   6.290 -13.709
  124    H    VAL  19           H        VAL  19  -5.345   7.036 -13.704
  125    HA   VAL  19           HA       VAL  19  -3.360   5.843 -12.019
  126    HB   VAL  19           HB       VAL  19  -3.750   8.717 -12.975
  127   HG11  VAL  19          1HG1      VAL  19  -1.229   7.348 -11.953
  128   HG12  VAL  19          2HG1      VAL  19  -1.315   8.975 -12.654
  129   HG13  VAL  19          3HG1      VAL  19  -2.136   8.637 -11.125
  130   HG21  VAL  19          3HG2      VAL  19  -2.119   6.446 -14.195
  131   HG22  VAL  19          1HG2      VAL  19  -3.574   7.183 -14.900
  132   HG23  VAL  19          2HG2      VAL  19  -2.099   8.133 -14.742
  133    H    PHE  20           H        PHE  20  -2.892   6.264  -9.783
  134    HA   PHE  20           HA       PHE  20  -4.276   8.385  -8.341
  135    HD1  PHE  20           HD2      PHE  20  -3.484   4.826  -6.157
  136    HD2  PHE  20           HD1      PHE  20  -6.394   4.828  -9.330
  137    HE1  PHE  20           HE2      PHE  20  -3.235   2.377  -6.380
  138    HE2  PHE  20           HE1      PHE  20  -6.078   2.390  -9.611
  139    HZ   PHE  20           HZ       PHE  20  -4.502   1.155  -8.136
  140    HB2  PHE  20           2HB      PHE  20  -5.150   6.791  -6.584
  141    HB3  PHE  20           3HB      PHE  20  -6.039   6.806  -8.094
  142    H    LYS  21           H        LYS  21  -3.453   8.620  -6.099
  143    HA   LYS  21           HA       LYS  21  -0.617   7.980  -5.903
  144    HB2  LYS  21           2HB      LYS  21  -2.427   9.077  -3.719
  145    HB3  LYS  21           3HB      LYS  21  -0.685   9.178  -3.870
  146    HG2  LYS  21           2HG      LYS  21  -2.762  10.749  -5.398
  147    HG3  LYS  21           3HG      LYS  21  -1.535  11.335  -4.271
  148    HD2  LYS  21           2HD      LYS  21   0.203  10.453  -5.983
  149    HD3  LYS  21           3HD      LYS  21  -1.149  10.318  -7.111
  150    HE2  LYS  21           2HE      LYS  21  -0.057  12.823  -5.770
  151    HE3  LYS  21           3HE      LYS  21  -0.011  12.411  -7.482
  152    HZ1  LYS  21           3HZ      LYS  21  -2.499  12.603  -7.437
  153    HZ2  LYS  21           1HZ      LYS  21  -2.380  13.203  -5.898
  154    HZ3  LYS  21           2HZ      LYS  21  -1.709  14.000  -7.141
  155    H    TYR  22           H        TYR  22   0.285   6.649  -4.186
  156    HA   TYR  22           HA       TYR  22  -1.568   4.984  -2.640
  157    HD1  TYR  22           HD1      TYR  22   1.854   4.527  -5.288
  158    HD2  TYR  22           HD2      TYR  22   0.466   1.807  -2.251
  159    HE1  TYR  22           HE1      TYR  22   4.197   3.938  -4.748
  160    HE2  TYR  22           HE2      TYR  22   2.802   1.222  -1.690
  161    HH   TYR  22           HH       TYR  22   5.560   2.888  -3.227
  162    HB2  TYR  22           2HB      TYR  22  -1.078   2.991  -3.577
  163    HB3  TYR  22           3HB      TYR  22  -0.629   3.913  -4.994
  164    H    VAL  23           H        VAL  23  -0.378   3.890  -0.840
  165    HA   VAL  23           HA       VAL  23   2.293   5.010  -0.253
  166    HB   VAL  23           HB       VAL  23   1.653   5.217   2.151
  167   HG11  VAL  23          1HG1      VAL  23   0.223   7.095   0.233
  168   HG12  VAL  23          2HG1      VAL  23   0.612   7.438   1.934
  169   HG13  VAL  23          3HG1      VAL  23   1.914   7.194   0.765
  170   HG21  VAL  23          3HG2      VAL  23  -1.202   4.999   1.109
  171   HG22  VAL  23          1HG2      VAL  23  -0.392   3.882   2.207
  172   HG23  VAL  23          2HG2      VAL  23  -0.736   5.545   2.730
  173    H    LEU  24           H        LEU  24   3.538   3.740   1.137
  174    HA   LEU  24           HA       LEU  24   2.811   0.849   1.156
  175    HG   LEU  24           HG       LEU  24   6.450   0.042   0.547
  176    HB2  LEU  24           2HB      LEU  24   4.852   1.757  -0.195
  177    HB3  LEU  24           3HB      LEU  24   5.588   2.105   1.350
  178   HD11  LEU  24          1HD1      LEU  24   4.403  -0.888   2.595
  179   HD12  LEU  24          2HD1      LEU  24   6.024  -1.525   2.278
  180   HD13  LEU  24          3HD1      LEU  24   5.838   0.075   3.014
  181   HD21  LEU  24          3HD2      LEU  24   3.618  -1.038   0.301
  182   HD22  LEU  24          1HD2      LEU  24   4.608  -0.434  -1.048
  183   HD23  LEU  24          2HD2      LEU  24   5.125  -1.858  -0.149
  184    H    ILE  25           H        ILE  25   2.197   0.303   3.267
  185    HA   ILE  25           HA       ILE  25   3.253   2.010   5.492
  186    HB   ILE  25           HB       ILE  25   0.458   0.984   4.955
  187   HG12  ILE  25          2HG1      ILE  25   1.595   3.735   5.630
  188   HG13  ILE  25          3HG1      ILE  25   1.146   3.188   4.013
  189   HG21  ILE  25          1HG2      ILE  25   1.529   2.070   7.593
  190   HG22  ILE  25          2HG2      ILE  25  -0.183   1.742   7.231
  191   HG23  ILE  25          3HG2      ILE  25   0.949   0.413   7.302
  192   HD11  ILE  25          3HD1      ILE  25  -1.223   2.918   4.839
  193   HD12  ILE  25          1HD1      ILE  25  -0.716   3.717   6.359
  194   HD13  ILE  25          2HD1      ILE  25  -0.607   4.579   4.828
  195    H    ARG  26           H        ARG  26   4.316   1.019   6.997
  196    HA   ARG  26           HA       ARG  26   4.474  -1.929   7.094
  197    HE   ARG  26           HE       ARG  26   7.952  -3.030   7.626
  198    HB2  ARG  26           2HB      ARG  26   6.517  -0.576   7.365
  199    HB3  ARG  26           3HB      ARG  26   5.817   0.283   8.736
  200    HG2  ARG  26           2HG      ARG  26   5.883  -1.624  10.137
  201    HG3  ARG  26           3HG      ARG  26   6.056  -2.753   8.789
  202    HD2  ARG  26           2HD      ARG  26   8.199  -0.703   9.445
  203    HD3  ARG  26           3HD      ARG  26   8.145  -2.313  10.193
  204   HH11  ARG  26          1HH2      ARG  26  10.320  -0.827   9.136
  205   HH12  ARG  26          2HH2      ARG  26  11.568  -1.246   8.022
  206   HH21  ARG  26          1HH1      ARG  26   9.465  -3.572   6.288
  207   HH22  ARG  26          2HH1      ARG  26  11.088  -2.899   6.306
  208    H    VAL  27           H        VAL  27   3.722  -3.063   8.895
  209    HA   VAL  27           HA       VAL  27   1.869  -1.701  10.763
  210    HB   VAL  27           HB       VAL  27   1.364  -4.416   9.478
  211   HG11  VAL  27          1HG1      VAL  27  -0.517  -2.442  10.832
  212   HG12  VAL  27          2HG1      VAL  27  -0.938  -4.054  10.236
  213   HG13  VAL  27          3HG1      VAL  27   0.174  -3.886  11.599
  214   HG21  VAL  27          3HG2      VAL  27   0.236  -1.781   8.456
  215   HG22  VAL  27          1HG2      VAL  27   1.280  -2.911   7.561
  216   HG23  VAL  27          2HG2      VAL  27  -0.352  -3.397   8.006
  217    H    HIS  28           H        HIS  28   2.020  -2.655  12.860
  218    HA   HIS  28           HA       HIS  28   3.998  -4.876  13.241
  219    HD1  HIS  28           HD1      HIS  28   6.717  -3.776  13.338
  220    HD2  HIS  28           HD2      HIS  28   4.292  -0.362  13.800
  221    HE1  HIS  28           HE1      HIS  28   8.041  -1.812  12.393
  222    HB2  HIS  28           2HB      HIS  28   3.467  -2.496  15.062
  223    HB3  HIS  28           3HB      HIS  28   4.651  -3.776  15.312
  224    H    SER  29           H        SER  29   3.393  -6.403  14.860
  225    HA   SER  29           HA       SER  29   0.659  -6.845  15.340
  226    HG   SER  29           HG       SER  29   1.792  -9.497  15.052
  227    HB2  SER  29           2HB      SER  29   3.043  -7.874  16.895
  228    HB3  SER  29           3HB      SER  29   1.409  -8.559  16.913
  229    H    ALA  30           H        ALA  30  -0.395  -5.138  16.247
  230    HA   ALA  30           HA       ALA  30  -0.201  -5.035  19.172
  231    HB1  ALA  30           3HB      ALA  30   1.022  -3.039  18.362
  232    HB2  ALA  30           1HB      ALA  30  -0.409  -2.530  17.443
  233    HB3  ALA  30           2HB      ALA  30  -0.460  -2.589  19.215
  234    HA   PRO  31           HA       PRO  31  -4.631  -4.893  17.034
  235    HB2  PRO  31           2HB      PRO  31  -4.610  -7.839  17.727
  236    HB3  PRO  31           3HB      PRO  31  -5.592  -6.980  16.502
  237    HG2  PRO  31           2HG      PRO  31  -3.323  -8.349  15.826
  238    HG3  PRO  31           3HG      PRO  31  -3.757  -6.803  15.035
  239    HD2  PRO  31           2HD      PRO  31  -1.681  -7.345  17.121
  240    HD3  PRO  31           3HD      PRO  31  -1.728  -6.145  15.793
  241    H    ARG  32           H        ARG  32  -6.350  -4.589  18.333
  242    HA   ARG  32           HA       ARG  32  -7.235  -3.720  20.164
  243    HE   ARG  32           HE       ARG  32 -10.359  -5.422  19.543
  244    HB2  ARG  32           2HB      ARG  32  -7.934  -6.187  19.932
  245    HB3  ARG  32           3HB      ARG  32  -6.946  -6.504  21.348
  246    HG2  ARG  32           2HG      ARG  32  -9.364  -6.269  21.841
  247    HG3  ARG  32           3HG      ARG  32  -8.410  -5.088  22.719
  248    HD2  ARG  32           2HD      ARG  32 -10.537  -4.182  21.770
  249    HD3  ARG  32           3HD      ARG  32  -9.098  -3.307  21.264
  250   HH11  ARG  32          1HH1      ARG  32  -9.381  -1.990  19.854
  251   HH12  ARG  32          2HH1      ARG  32  -9.584  -1.693  18.151
  252   HH21  ARG  32          1HH2      ARG  32 -10.705  -4.949  17.413
  253   HH22  ARG  32          2HH2      ARG  32 -10.455  -3.335  16.782
  254    H    SER  33           H        SER  33  -4.255  -3.497  20.212
  255    HA   SER  33           HA       SER  33  -2.552  -2.967  21.516
  256    HG   SER  33           HG       SER  33  -4.451  -0.020  22.274
  257    HB2  SER  33           2HB      SER  33  -4.634  -1.962  23.489
  258    HB3  SER  33           3HB      SER  33  -2.958  -1.414  23.319
  259    H    GLY  34           H        GLY  34  -3.583  -5.721  21.796
  260    HA2  GLY  34           2HA      GLY  34  -2.346  -6.426  24.397
  261    HA3  GLY  34           1HA      GLY  34  -4.059  -6.792  24.163
  262    H    ALA  35           H        ALA  35  -2.797  -7.232  21.096
  263    HA   ALA  35           HA       ALA  35  -2.771 -10.039  21.152
  264    HB1  ALA  35           3HB      ALA  35  -2.985  -8.717  19.094
  265    HB2  ALA  35           1HB      ALA  35  -1.309  -8.136  19.271
  266    HB3  ALA  35           2HB      ALA  35  -1.633  -9.855  18.956
  267    HA   PRO  36           HA       PRO  36   1.195 -10.675  23.137
  268    HB2  PRO  36           2HB      PRO  36   1.543 -13.366  22.823
  269    HB3  PRO  36           3HB      PRO  36   0.260 -12.676  23.863
  270    HG2  PRO  36           2HG      PRO  36   0.009 -13.647  20.996
  271    HG3  PRO  36           3HG      PRO  36  -1.034 -14.055  22.397
  272    HD2  PRO  36           2HD      PRO  36  -1.697 -12.089  20.616
  273    HD3  PRO  36           3HD      PRO  36  -2.075 -11.943  22.359
  274    H    ALA  37           H        ALA  37   0.743 -11.372  19.730
  275    HA   ALA  37           HA       ALA  37   3.428 -12.122  19.062
  276    HB1  ALA  37           3HB      ALA  37   1.519 -12.572  17.579
  277    HB2  ALA  37           1HB      ALA  37   1.231 -10.829  17.381
  278    HB3  ALA  37           2HB      ALA  37   2.718 -11.566  16.747
  279    H    ALA  38           H        ALA  38   4.956 -10.814  17.840
  280    HA   ALA  38           HA       ALA  38   4.830  -7.879  18.099
  281    HB1  ALA  38           3HB      ALA  38   5.922  -8.674  20.184
  282    HB2  ALA  38           1HB      ALA  38   7.127  -9.552  19.210
  283    HB3  ALA  38           2HB      ALA  38   7.041  -7.775  19.144
  284    H    GLU  39           H        GLU  39   4.411  -9.473  15.838
  285    HA   GLU  39           HA       GLU  39   6.934  -9.570  14.309
  286    HB2  GLU  39           2HB      GLU  39   4.086 -10.449  13.634
  287    HB3  GLU  39           3HB      GLU  39   5.487 -10.618  12.572
  288    HG2  GLU  39           2HG      GLU  39   6.597 -12.055  14.288
  289    HG3  GLU  39           3HG      GLU  39   5.144 -11.964  15.286
  290    H    SER  40           H        SER  40   6.336  -8.783  11.871
  291    HA   SER  40           HA       SER  40   4.765  -6.320  11.853
  292    HG   SER  40           HG       SER  40   8.246  -5.461  12.680
  293    HB2  SER  40           2HB      SER  40   7.633  -6.359  10.881
  294    HB3  SER  40           3HB      SER  40   6.533  -4.982  10.851
  295    H    LYS  41           H        LYS  41   4.455  -5.565   9.623
  296    HA   LYS  41           HA       LYS  41   4.661  -7.502   7.419
  297    HB2  LYS  41           2HB      LYS  41   2.760  -8.272   8.801
  298    HB3  LYS  41           3HB      LYS  41   2.053  -6.670   8.786
  299    HG2  LYS  41           2HG      LYS  41   2.371  -7.698   6.044
  300    HG3  LYS  41           3HG      LYS  41   1.562  -8.876   7.072
  301    HD2  LYS  41           2HD      LYS  41  -0.094  -7.183   7.791
  302    HD3  LYS  41           3HD      LYS  41   0.731  -5.964   6.823
  303    HE2  LYS  41           2HE      LYS  41  -1.238  -6.668   5.670
  304    HE3  LYS  41           3HE      LYS  41   0.172  -7.194   4.744
  305    HZ1  LYS  41           3HZ      LYS  41  -0.241  -9.413   5.371
  306    HZ2  LYS  41           1HZ      LYS  41  -1.254  -9.013   6.608
  307    HZ3  LYS  41           2HZ      LYS  41  -1.744  -8.823   5.064
  308    H    GLU  42           H        GLU  42   3.450  -6.300   5.448
  309    HA   GLU  42           HA       GLU  42   3.389  -3.382   5.796
  310    HB2  GLU  42           2HB      GLU  42   4.885  -4.814   3.547
  311    HB3  GLU  42           3HB      GLU  42   4.401  -3.136   3.522
  312    HG2  GLU  42           2HG      GLU  42   6.626  -3.028   4.082
  313    HG3  GLU  42           3HG      GLU  42   5.800  -2.755   5.598
  314    H    ILE  43           H        ILE  43   2.009  -2.389   4.180
  315    HA   ILE  43           HA       ILE  43   0.309  -4.183   2.572
  316    HB   ILE  43           HB       ILE  43  -1.698  -2.866   3.248
  317   HG12  ILE  43          2HG1      ILE  43   0.046  -1.807   5.516
  318   HG13  ILE  43          3HG1      ILE  43  -0.592  -0.865   4.166
  319   HG21  ILE  43          1HG2      ILE  43  -0.430  -4.329   5.583
  320   HG22  ILE  43          2HG2      ILE  43  -2.162  -4.161   5.218
  321   HG23  ILE  43          3HG2      ILE  43  -1.138  -5.113   4.145
  322   HD11  ILE  43          3HD1      ILE  43  -2.903  -1.295   4.958
  323   HD12  ILE  43          1HD1      ILE  43  -2.256  -2.198   6.348
  324   HD13  ILE  43          2HD1      ILE  43  -1.901  -0.481   6.176
  325    H    VAL  44           H        VAL  44  -0.740  -3.122   0.847
  326    HA   VAL  44           HA       VAL  44   0.500  -0.545  -0.036
  327    HB   VAL  44           HB       VAL  44  -0.541  -2.901  -1.667
  328   HG11  VAL  44          1HG1      VAL  44   1.059  -0.499  -2.613
  329   HG12  VAL  44          2HG1      VAL  44   0.443  -1.826  -3.608
  330   HG13  VAL  44          3HG1      VAL  44  -0.694  -0.708  -2.851
  331   HG21  VAL  44          3HG2      VAL  44   2.361  -2.128  -1.219
  332   HG22  VAL  44          1HG2      VAL  44   1.554  -3.578  -0.576
  333   HG23  VAL  44          2HG2      VAL  44   1.768  -3.385  -2.317
  334    H    ARG  45           H        ARG  45  -1.045   1.075  -0.064
  335    HA   ARG  45           HA       ARG  45  -3.842   0.374  -0.776
  336    HE   ARG  45           HE       ARG  45  -4.119  -2.710   2.186
  337    HB2  ARG  45           2HB      ARG  45  -3.056   2.208   1.531
  338    HB3  ARG  45           3HB      ARG  45  -4.695   1.947   0.951
  339    HG2  ARG  45           2HG      ARG  45  -2.916  -0.097   2.338
  340    HG3  ARG  45           3HG      ARG  45  -4.304   0.752   3.027
  341    HD2  ARG  45           2HD      ARG  45  -5.864  -0.424   1.653
  342    HD3  ARG  45           3HD      ARG  45  -4.600  -1.098   0.648
  343   HH11  ARG  45          1HH2      ARG  45  -6.449  -0.448   3.608
  344   HH12  ARG  45          2HH2      ARG  45  -6.759  -1.408   5.005
  345   HH21  ARG  45          1HH1      ARG  45  -4.559  -4.034   3.992
  346   HH22  ARG  45          2HH1      ARG  45  -5.621  -3.477   5.248
  347    H    GLY  46           H        GLY  46  -4.847   2.026  -2.014
  348    HA2  GLY  46           2HA      GLY  46  -3.873   4.663  -2.308
  349    HA3  GLY  46           1HA      GLY  46  -3.154   3.651  -3.576
  350    H    TYR  47           H        TYR  47  -5.380   5.824  -3.472
  351    HA   TYR  47           HA       TYR  47  -7.317   4.408  -5.165
  352    HD1  TYR  47           HD2      TYR  47  -6.803   4.917  -1.021
  353    HD2  TYR  47           HD1      TYR  47  -9.324   2.398  -3.440
  354    HE1  TYR  47           HE2      TYR  47  -6.611   3.112   0.672
  355    HE2  TYR  47           HE1      TYR  47  -9.116   0.576  -1.775
  356    HH   TYR  47           HH       TYR  47  -8.278  -0.053   0.294
  357    HB2  TYR  47           2HB      TYR  47  -8.303   5.853  -2.689
  358    HB3  TYR  47           3HB      TYR  47  -9.232   4.847  -3.782
  359    H    LYS  48           H        LYS  48  -8.777   5.882  -6.216
  360    HA   LYS  48           HA       LYS  48  -7.593   8.268  -7.085
  361    HB2  LYS  48           2HB      LYS  48  -9.342   6.801  -8.209
  362    HB3  LYS  48           3HB      LYS  48 -10.560   7.573  -7.183
  363    HG2  LYS  48           2HG      LYS  48  -9.972   9.782  -8.190
  364    HG3  LYS  48           3HG      LYS  48  -8.724   8.987  -9.175
  365    HD2  LYS  48           2HD      LYS  48 -10.510   7.550 -10.197
  366    HD3  LYS  48           3HD      LYS  48 -11.729   8.450  -9.270
  367    HE2  LYS  48           2HE      LYS  48 -10.983  10.558 -10.402
  368    HE3  LYS  48           3HE      LYS  48  -9.806   9.618 -11.332
  369    HZ1  LYS  48           3HZ      LYS  48 -11.708   8.333 -12.230
  370    HZ2  LYS  48           1HZ      LYS  48 -12.748   9.352 -11.477
  371    HZ3  LYS  48           2HZ      LYS  48 -11.762   9.925 -12.643
  372    H    TRP  49           H        TRP  49  -9.918   7.780  -4.394
  373    HA   TRP  49           HA       TRP  49 -10.500  10.560  -4.093
  374    HD1  TRP  49           HD1      TRP  49 -12.434   6.690  -3.268
  375    HE1  TRP  49           HE1      TRP  49 -11.769   4.678  -1.854
  376    HE3  TRP  49           HE3      TRP  49  -8.981   8.945  -0.225
  377    HZ2  TRP  49           HZ2      TRP  49  -9.946   4.100   0.334
  378    HZ3  TRP  49           HZ3      TRP  49  -7.718   7.622   1.417
  379    HH2  TRP  49           HH2      TRP  49  -8.156   5.180   1.695
  380    HB2  TRP  49           2HB      TRP  49 -11.281   9.852  -1.788
  381    HB3  TRP  49           3HB      TRP  49 -12.084   9.187  -3.188
  382    H    ALA  50           H        ALA  50  -7.679   8.671  -3.007
  383    HA   ALA  50           HA       ALA  50  -6.875  10.816  -1.167
  384    HB1  ALA  50           3HB      ALA  50  -6.376   8.604  -0.450
  385    HB2  ALA  50           1HB      ALA  50  -5.499   8.238  -1.968
  386    HB3  ALA  50           2HB      ALA  50  -4.879   9.462  -0.827
  387    H    GLU  51           H        GLU  51  -6.985  12.467  -2.835
  388    HA   GLU  51           HA       GLU  51  -5.218  12.504  -5.079
  389    HB2  GLU  51           2HB      GLU  51  -6.578  14.665  -3.433
  390    HB3  GLU  51           3HB      GLU  51  -5.564  15.069  -4.815
  391    HG2  GLU  51           2HG      GLU  51  -7.912  13.145  -5.075
  392    HG3  GLU  51           3HG      GLU  51  -8.102  14.888  -5.176
  393    H    TYR  52           H        TYR  52  -4.512  12.739  -1.710
  394    HA   TYR  52           HA       TYR  52  -1.734  13.567  -2.245
  395    HD1  TYR  52           HD1      TYR  52  -4.612  15.909  -2.124
  396    HD2  TYR  52           HD2      TYR  52  -3.689  14.449   1.810
  397    HE1  TYR  52           HE1      TYR  52  -6.878  16.607  -1.351
  398    HE2  TYR  52           HE2      TYR  52  -5.934  15.140   2.612
  399    HH   TYR  52           HH       TYR  52  -8.350  16.708   0.456
  400    HB2  TYR  52           2HB      TYR  52  -1.961  14.672   0.133
  401    HB3  TYR  52           3HB      TYR  52  -2.279  15.548  -1.350
  402    H    HIS  53           H        HIS  53  -0.252  12.712  -0.437
  403    HA   HIS  53           HA       HIS  53  -1.017   9.891  -0.199
  404    HD2  HIS  53           HD2      HIS  53   1.556   8.247  -1.498
  405    HE1  HIS  53           HE1      HIS  53   2.199  11.344  -4.343
  406    HE2  HIS  53           HE2      HIS  53   2.144   8.815  -3.980
  407    HB2  HIS  53           2HB      HIS  53   1.530  11.400   0.549
  408    HB3  HIS  53           3HB      HIS  53   1.308   9.669   0.648
  409    H    ALA  54           H        ALA  54  -0.486  12.742   1.864
  410    HA   ALA  54           HA       ALA  54  -0.728  11.548   4.386
  411    HB1  ALA  54           3HB      ALA  54  -0.285  13.960   4.033
  412    HB2  ALA  54           1HB      ALA  54  -1.961  14.188   3.484
  413    HB3  ALA  54           2HB      ALA  54  -1.634  13.705   5.158
  414    H    ASP  55           H        ASP  55  -3.326  11.898   1.951
  415    HA   ASP  55           HA       ASP  55  -5.477  11.740   3.845
  416    HB2  ASP  55           2HB      ASP  55  -5.614  12.492   1.368
  417    HB3  ASP  55           3HB      ASP  55  -5.617  10.799   0.962
  418    H    ILE  56           H        ILE  56  -3.925   9.266   1.737
  419    HA   ILE  56           HA       ILE  56  -5.437   7.093   2.885
  420    HB   ILE  56           HB       ILE  56  -3.262   5.814   1.905
  421   HG12  ILE  56          2HG1      ILE  56  -3.277   8.403   0.345
  422   HG13  ILE  56          3HG1      ILE  56  -1.936   7.504   1.065
  423   HG21  ILE  56          1HG2      ILE  56  -5.654   6.643   0.279
  424   HG22  ILE  56          2HG2      ILE  56  -4.636   5.199   0.055
  425   HG23  ILE  56          3HG2      ILE  56  -5.603   5.360   1.509
  426   HD11  ILE  56          3HD1      ILE  56  -2.359   5.730  -0.695
  427   HD12  ILE  56          1HD1      ILE  56  -3.582   6.806  -1.412
  428   HD13  ILE  56          2HD1      ILE  56  -1.886   7.316  -1.348
  429    H    TYR  57           H        TYR  57  -2.222   8.585   3.635
  430    HA   TYR  57           HA       TYR  57  -1.488   6.522   5.428
  431    HD1  TYR  57           HD1      TYR  57   0.364   6.034   6.599
  432    HD2  TYR  57           HD2      TYR  57   0.325  10.273   7.406
  433    HE1  TYR  57           HE1      TYR  57   1.521   5.621   8.719
  434    HE2  TYR  57           HE2      TYR  57   1.532   9.879   9.527
  435    HH   TYR  57           HH       TYR  57   2.385   6.589  10.691
  436    HB2  TYR  57           2HB      TYR  57   0.125   8.197   4.712
  437    HB3  TYR  57           3HB      TYR  57  -0.800   9.474   5.503
  438    H    ASP  58           H        ASP  58  -3.349   9.567   6.094
  439    HA   ASP  58           HA       ASP  58  -3.715   9.020   8.850
  440    HB2  ASP  58           2HB      ASP  58  -4.097  11.230   7.906
  441    HB3  ASP  58           3HB      ASP  58  -5.427  10.619   6.915
  442    H    LYS  59           H        LYS  59  -5.853   8.280   6.033
  443    HA   LYS  59           HA       LYS  59  -7.975   7.109   7.534
  444    HB2  LYS  59           2HB      LYS  59  -8.286   7.838   5.292
  445    HB3  LYS  59           3HB      LYS  59  -7.021   6.782   4.663
  446    HG2  LYS  59           2HG      LYS  59  -8.328   4.907   4.651
  447    HG3  LYS  59           3HG      LYS  59  -9.274   5.394   6.076
  448    HD2  LYS  59           2HD      LYS  59 -10.543   7.002   4.828
  449    HD3  LYS  59           3HD      LYS  59  -9.535   6.782   3.390
  450    HE2  LYS  59           2HE      LYS  59 -10.277   4.381   3.282
  451    HE3  LYS  59           3HE      LYS  59 -11.348   4.676   4.659
  452    HZ1  LYS  59           3HZ      LYS  59 -12.525   6.311   3.297
  453    HZ2  LYS  59           1HZ      LYS  59 -11.526   6.032   2.027
  454    HZ3  LYS  59           2HZ      LYS  59 -12.529   4.858   2.562
  455    H    VAL  60           H        VAL  60  -5.181   5.487   5.890
  456    HA   VAL  60           HA       VAL  60  -6.146   2.906   6.686
  457    HB   VAL  60           HB       VAL  60  -3.456   3.801   5.584
  458   HG11  VAL  60          1HG1      VAL  60  -4.623   0.988   5.902
  459   HG12  VAL  60          2HG1      VAL  60  -3.148   1.400   4.989
  460   HG13  VAL  60          3HG1      VAL  60  -3.202   1.634   6.736
  461   HG21  VAL  60          3HG2      VAL  60  -5.805   2.435   4.186
  462   HG22  VAL  60          1HG2      VAL  60  -5.472   4.169   4.082
  463   HG23  VAL  60          2HG2      VAL  60  -4.293   3.035   3.451
  464    H    SER  61           H        SER  61  -3.464   5.052   8.031
  465    HA   SER  61           HA       SER  61  -2.828   3.177  10.074
  466    HG   SER  61           HG       SER  61  -0.763   5.766   8.977
  467    HB2  SER  61           2HB      SER  61  -2.544   6.200  10.022
  468    HB3  SER  61           3HB      SER  61  -1.803   5.119  11.219
  469    H    GLY  62           H        GLY  62  -5.439   5.643   9.869
  470    HA2  GLY  62           2HA      GLY  62  -6.369   5.449  12.543
  471    HA3  GLY  62           1HA      GLY  62  -7.333   5.845  11.105
  472    H    ASP  63           H        ASP  63  -7.316   3.544   9.583
  473    HA   ASP  63           HA       ASP  63  -9.120   1.824  10.942
  474    HB2  ASP  63           2HB      ASP  63  -9.103   2.039   8.520
  475    HB3  ASP  63           3HB      ASP  63  -7.496   1.308   8.433
  476    H    MET  64           H        MET  64  -5.626   1.416  10.227
  477    HA   MET  64           HA       MET  64  -5.326  -1.149  11.408
  478    HB2  MET  64           2HB      MET  64  -3.355   1.165  11.225
  479    HB3  MET  64           3HB      MET  64  -2.926  -0.479  11.649
  480    HG2  MET  64           2HG      MET  64  -4.219   0.256   8.992
  481    HG3  MET  64           3HG      MET  64  -2.504   0.107   9.230
  482    HE1  MET  64           3HE      MET  64  -5.940  -1.684   9.359
  483    HE2  MET  64           1HE      MET  64  -5.320  -1.435   7.702
  484    HE3  MET  64           2HE      MET  64  -5.531  -3.081   8.353
  485    H    GLN  65           H        GLN  65  -4.960   2.133  12.925
  486    HA   GLN  65           HA       GLN  65  -4.416   1.074  15.503
  487    HB2  GLN  65           2HB      GLN  65  -5.350   3.747  14.410
  488    HB3  GLN  65           3HB      GLN  65  -5.162   3.514  16.143
  489    HG2  GLN  65           2HG      GLN  65  -2.839   2.839  14.287
  490    HG3  GLN  65           3HG      GLN  65  -3.187   4.507  14.705
  491   HE21  GLN  65          2HE2      GLN  65  -2.174   1.369  16.054
  492   HE22  GLN  65          1HE2      GLN  65  -1.640   2.005  17.600
  493    H    LYS  66           H        LYS  66  -7.532   1.731  13.859
  494    HA   LYS  66           HA       LYS  66  -9.119   1.285  16.242
  495    HB2  LYS  66           2HB      LYS  66  -9.738   1.184  13.269
  496    HB3  LYS  66           3HB      LYS  66 -10.931   0.735  14.494
  497    HG2  LYS  66           2HG      LYS  66 -10.737   2.909  15.585
  498    HG3  LYS  66           3HG      LYS  66  -9.495   3.432  14.455
  499    HD2  LYS  66           2HD      LYS  66 -12.352   2.710  13.675
  500    HD3  LYS  66           3HD      LYS  66 -11.779   4.348  14.016
  501    HE2  LYS  66           2HE      LYS  66 -10.128   4.165  12.148
  502    HE3  LYS  66           3HE      LYS  66 -10.748   2.548  11.785
  503    HZ1  LYS  66           3HZ      LYS  66 -12.903   3.549  11.300
  504    HZ2  LYS  66           1HZ      LYS  66 -12.337   5.043  11.642
  505    HZ3  LYS  66           2HZ      LYS  66 -11.752   4.222  10.364
  506    H    GLN  67           H        GLN  67  -7.745  -0.955  13.740
  507    HA   GLN  67           HA       GLN  67  -8.836  -3.303  15.054
  508    HB2  GLN  67           2HB      GLN  67  -6.370  -3.005  13.283
  509    HB3  GLN  67           3HB      GLN  67  -7.071  -4.523  13.825
  510    HG2  GLN  67           2HG      GLN  67  -9.208  -3.928  12.672
  511    HG3  GLN  67           3HG      GLN  67  -8.447  -2.480  12.016
  512   HE21  GLN  67          2HE2      GLN  67  -9.512  -5.114  10.752
  513   HE22  GLN  67          1HE2      GLN  67  -8.195  -5.624   9.728
  514    H    GLY  68           H        GLY  68  -6.036  -1.249  15.561
  515    HA2  GLY  68           2HA      GLY  68  -5.367  -0.998  17.952
  516    HA3  GLY  68           1HA      GLY  68  -5.176  -2.753  17.987
  517    H    CYS  69           H        CYS  69  -4.260  -2.430  15.029
  518    HA   CYS  69           HA       CYS  69  -1.526  -2.975  15.437
  519    HG   CYS  69           HG       CYS  69  -3.150  -4.581  12.183
  520    HB2  CYS  69           2HB      CYS  69  -3.167  -2.138  13.015
  521    HB3  CYS  69           3HB      CYS  69  -1.484  -2.649  12.913
  522    H    ASP  70           H        ASP  70   0.332  -1.781  14.954
  523    HA   ASP  70           HA       ASP  70   0.047   1.197  15.064
  524    HB2  ASP  70           2HB      ASP  70   1.112   0.265  17.046
  525    HB3  ASP  70           3HB      ASP  70   2.220  -0.684  16.054
  526    H    CYS  71           H        CYS  71   1.264   2.385  13.501
  527    HA   CYS  71           HA       CYS  71   2.436   0.782  11.295
  528    HG   CYS  71           HG       CYS  71  -1.108   0.811   9.728
  529    HB2  CYS  71           2HB      CYS  71   0.056   2.701  11.213
  530    HB3  CYS  71           3HB      CYS  71   0.934   2.222   9.772
  531    H    GLU  72           H        GLU  72   3.486   2.026   9.599
  532    HA   GLU  72           HA       GLU  72   3.902   4.901   9.953
  533    HB2  GLU  72           2HB      GLU  72   5.726   3.965  11.285
  534    HB3  GLU  72           3HB      GLU  72   6.135   2.808  10.006
  535    HG2  GLU  72           2HG      GLU  72   6.867   4.564   8.538
  536    HG3  GLU  72           3HG      GLU  72   6.233   5.819   9.611
  537    H    CYS  73           H        CYS  73   3.946   5.810   7.823
  538    HA   CYS  73           HA       CYS  73   3.830   4.005   5.522
  539    HG   CYS  73           HG       CYS  73   3.131   8.450   5.355
  540    HB2  CYS  73           2HB      CYS  73   3.902   6.212   4.233
  541    HB3  CYS  73           3HB      CYS  73   2.471   5.922   5.206
  542    H    LEU  74           H        LEU  74   5.627   3.092   4.737
  543    HA   LEU  74           HA       LEU  74   8.307   3.996   5.460
  544    HG   LEU  74           HG       LEU  74   6.803   1.057   5.458
  545    HB2  LEU  74           2HB      LEU  74   7.391   2.032   3.313
  546    HB3  LEU  74           3HB      LEU  74   9.049   2.303   3.832
  547   HD11  LEU  74          1HD1      LEU  74   9.507  -0.063   4.596
  548   HD12  LEU  74          2HD1      LEU  74   8.199  -0.934   5.426
  549   HD13  LEU  74          3HD1      LEU  74   7.976  -0.382   3.763
  550   HD21  LEU  74          3HD2      LEU  74   9.619   1.804   6.368
  551   HD22  LEU  74          1HD2      LEU  74   8.078   2.384   7.046
  552   HD23  LEU  74          2HD2      LEU  74   8.543   0.697   7.243
  553    H    GLY  75           H        GLY  75   5.971   4.648   2.915
  554    HA2  GLY  75           2HA      GLY  75   6.893   7.120   2.230
  555    HA3  GLY  75           1HA      GLY  75   7.725   6.040   1.098
  556    H    GLY  76           H        GLY  76   6.312   7.256  -0.504
  557    HA2  GLY  76           2HA      GLY  76   4.126   5.458  -1.167
  558    HA3  GLY  76           1HA      GLY  76   3.616   7.138  -0.893
  559    H    GLY  77           H        GLY  77   3.020   6.535  -3.240
  560    HA2  GLY  77           2HA      GLY  77   4.746   7.898  -5.098
  561    HA3  GLY  77           1HA      GLY  77   4.788   6.140  -5.322
  562    H    ARG  78           H        ARG  78   3.680   6.413  -7.380
  563    HA   ARG  78           HA       ARG  78   0.753   6.826  -7.138
  564    HE   ARG  78           HE       ARG  78   2.270   9.893 -10.900
  565    HB2  ARG  78           2HB      ARG  78   1.796   8.944  -7.821
  566    HB3  ARG  78           3HB      ARG  78   2.619   8.148  -9.175
  567    HG2  ARG  78           2HG      ARG  78   0.501   7.774 -10.311
  568    HG3  ARG  78           3HG      ARG  78  -0.397   8.216  -8.858
  569    HD2  ARG  78           2HD      ARG  78  -0.626  10.078 -10.192
  570    HD3  ARG  78           3HD      ARG  78   0.593  10.543  -9.015
  571   HH11  ARG  78          1HH2      ARG  78  -0.884  11.475 -11.473
  572   HH12  ARG  78          2HH2      ARG  78  -0.333  12.318 -12.869
  573   HH21  ARG  78          1HH1      ARG  78   2.959  11.001 -12.684
  574   HH22  ARG  78          2HH1      ARG  78   1.902  12.034 -13.606
  575    H    ILE  79           H        ILE  79  -0.418   5.571  -8.645
  576    HA   ILE  79           HA       ILE  79   1.151   3.382  -9.906
  577    HB   ILE  79           HB       ILE  79  -1.405   3.252  -8.259
  578   HG12  ILE  79          2HG1      ILE  79   1.382   2.064  -7.949
  579   HG13  ILE  79          3HG1      ILE  79   0.639   3.288  -6.934
  580   HG21  ILE  79          1HG2      ILE  79  -0.105   1.002  -9.852
  581   HG22  ILE  79          2HG2      ILE  79  -1.521   0.846  -8.784
  582   HG23  ILE  79          3HG2      ILE  79  -1.653   1.782 -10.251
  583   HD11  ILE  79          3HD1      ILE  79  -1.030   1.589  -6.150
  584   HD12  ILE  79          1HD1      ILE  79  -0.149   0.352  -7.082
  585   HD13  ILE  79          2HD1      ILE  79   0.653   1.185  -5.754
  586    H    SER  80           H        SER  80   0.450   2.745 -11.896
  587    HA   SER  80           HA       SER  80  -1.715   4.283 -13.224
  588    HG   SER  80           HG       SER  80   1.214   6.286 -13.841
  589    HB2  SER  80           2HB      SER  80   1.148   4.020 -14.242
  590    HB3  SER  80           3HB      SER  80  -0.178   4.918 -15.004
  591    H    HIS  81           H        HIS  81  -1.985   3.496 -15.488
  592    HA   HIS  81           HA       HIS  81  -2.694   1.971 -16.928
  593    HD1  HIS  81           HD1      HIS  81   1.611  -0.175 -16.671
  594    HD2  HIS  81           HD2      HIS  81  -0.667   3.073 -18.061
  595    HE1  HIS  81           HE1      HIS  81   3.273   1.488 -17.699
  596    HB2  HIS  81           2HB      HIS  81  -0.843  -0.123 -15.802
  597    HB3  HIS  81           3HB      HIS  81  -1.585  -0.065 -17.386
  598    H    GLN  82           H        GLN  82  -3.570  -0.572 -16.879
  599    HA   GLN  82           HA       GLN  82  -5.248  -0.879 -14.466
  600    HB2  GLN  82           2HB      GLN  82  -6.317  -0.478 -17.304
  601    HB3  GLN  82           3HB      GLN  82  -7.274  -0.993 -15.914
  602    HG2  GLN  82           2HG      GLN  82  -6.760   1.170 -14.774
  603    HG3  GLN  82           3HG      GLN  82  -5.900   1.710 -16.220
  604   HE21  GLN  82          2HE2      GLN  82  -9.003   1.430 -14.720
  605   HE22  GLN  82          1HE2      GLN  82  -9.962   1.961 -16.091
  606    H    SER  83           H        SER  83  -6.154  -2.941 -14.323
  607    HA   SER  83           HA       SER  83  -4.519  -5.021 -15.052
  608    HG   SER  83           HG       SER  83  -6.474  -4.891 -12.001
  609    HB2  SER  83           2HB      SER  83  -7.380  -5.270 -14.089
  610    HB3  SER  83           3HB      SER  83  -6.002  -6.326 -13.723
  611    H    GLN  84           H        GLN  84  -6.278  -3.673 -17.380
  612    HA   GLN  84           HA       GLN  84  -6.731  -6.181 -18.868
  613    HB2  GLN  84           2HB      GLN  84  -8.813  -3.959 -18.593
  614    HB3  GLN  84           3HB      GLN  84  -8.922  -5.344 -19.684
  615    HG2  GLN  84           2HG      GLN  84  -8.905  -6.880 -17.712
  616    HG3  GLN  84           3HG      GLN  84  -8.946  -5.471 -16.644
  617   HE21  GLN  84          2HE2      GLN  84 -10.882  -4.077 -16.670
  618   HE22  GLN  84          1HE2      GLN  84 -12.399  -4.706 -17.258
  619    H    ASP  85           H        ASP  85  -4.775  -3.761 -18.772
  620    HA   ASP  85           HA       ASP  85  -5.087  -2.890 -21.621
  621    HB2  ASP  85           2HB      ASP  85  -6.087  -1.153 -20.246
  622    HB3  ASP  85           3HB      ASP  85  -4.666  -1.107 -19.200
  623    H    LYS  86           H        LYS  86  -2.868  -2.732 -18.744
  624    HA   LYS  86           HA       LYS  86  -0.633  -3.740 -20.311
  625    HB2  LYS  86           2HB      LYS  86  -0.741  -1.331 -20.974
  626    HB3  LYS  86           3HB      LYS  86  -0.637  -0.853 -19.284
  627    HG2  LYS  86           2HG      LYS  86   1.638  -1.670 -19.124
  628    HG3  LYS  86           3HG      LYS  86   1.530  -2.436 -20.728
  629    HD2  LYS  86           2HD      LYS  86   1.262  -0.231 -21.786
  630    HD3  LYS  86           3HD      LYS  86   1.277   0.559 -20.198
  631    HE2  LYS  86           2HE      LYS  86   3.587  -0.283 -19.809
  632    HE3  LYS  86           3HE      LYS  86   3.567  -1.070 -21.393
  633    HZ1  LYS  86           3HZ      LYS  86   3.352   1.116 -22.412
  634    HZ2  LYS  86           1HZ      LYS  86   3.349   1.856 -20.954
  635    HZ3  LYS  86           2HZ      LYS  86   4.682   1.074 -21.476
  636    H    LYS  87           H        LYS  87   1.250  -4.116 -18.791
  637    HA   LYS  87           HA       LYS  87   0.567  -5.089 -16.244
  638    HB2  LYS  87           2HB      LYS  87   2.936  -5.114 -15.728
  639    HB3  LYS  87           3HB      LYS  87   2.700  -5.600 -17.409
  640    HG2  LYS  87           2HG      LYS  87   3.218  -3.064 -17.923
  641    HG3  LYS  87           3HG      LYS  87   3.850  -3.046 -16.259
  642    HD2  LYS  87           2HD      LYS  87   5.466  -4.787 -16.817
  643    HD3  LYS  87           3HD      LYS  87   4.745  -5.005 -18.428
  644    HE2  LYS  87           2HE      LYS  87   5.328  -2.682 -19.033
  645    HE3  LYS  87           3HE      LYS  87   6.031  -2.425 -17.439
  646    HZ1  LYS  87           3HZ      LYS  87   7.661  -4.193 -17.998
  647    HZ2  LYS  87           1HZ      LYS  87   7.018  -4.327 -19.493
  648    HZ3  LYS  87           2HZ      LYS  87   7.744  -2.943 -19.040
  649    H    ILE  88           H        ILE  88   0.464  -4.183 -14.189
  650    HA   ILE  88           HA       ILE  88  -0.209  -1.377 -14.033
  651    HB   ILE  88           HB       ILE  88   0.516  -3.359 -11.842
  652   HG12  ILE  88          2HG1      ILE  88  -1.349  -4.287 -13.007
  653   HG13  ILE  88          3HG1      ILE  88  -1.913  -3.634 -11.488
  654   HG21  ILE  88          1HG2      ILE  88  -0.918  -0.681 -11.670
  655   HG22  ILE  88          2HG2      ILE  88  -0.826  -1.868 -10.351
  656   HG23  ILE  88          3HG2      ILE  88   0.647  -1.112 -10.950
  657   HD11  ILE  88          3HD1      ILE  88  -2.801  -1.617 -12.701
  658   HD12  ILE  88          1HD1      ILE  88  -2.282  -2.356 -14.238
  659   HD13  ILE  88          2HD1      ILE  88  -3.513  -3.145 -13.241
  660    H    HIS  89           H        HIS  89   1.108   0.358 -13.108
  661    HA   HIS  89           HA       HIS  89   3.973  -0.353 -12.800
  662    HD1  HIS  89           HD1      HIS  89   5.841  -0.661 -14.652
  663    HD2  HIS  89           HD2      HIS  89   5.536   3.465 -13.826
  664    HE1  HIS  89           HE1      HIS  89   8.210   0.238 -14.623
  665    HB2  HIS  89           2HB      HIS  89   3.381   0.674 -15.107
  666    HB3  HIS  89           3HB      HIS  89   3.214   2.195 -14.218
  667    H    VAL  90           H        VAL  90   5.142   0.985 -11.430
  668    HA   VAL  90           HA       VAL  90   3.571   2.766  -9.647
  669    HB   VAL  90           HB       VAL  90   5.646   0.734  -8.726
  670   HG11  VAL  90          1HG1      VAL  90   3.556   2.341  -7.196
  671   HG12  VAL  90          2HG1      VAL  90   4.701   1.177  -6.496
  672   HG13  VAL  90          3HG1      VAL  90   5.295   2.670  -7.245
  673   HG21  VAL  90          3HG2      VAL  90   2.628   0.361  -8.718
  674   HG22  VAL  90          1HG2      VAL  90   3.840  -0.647  -9.531
  675   HG23  VAL  90          2HG2      VAL  90   3.777  -0.613  -7.772
  676    H    TYR  91           H        TYR  91   4.678   4.658  -9.211
  677    HA   TYR  91           HA       TYR  91   7.532   4.937  -9.459
  678    HD1  TYR  91           HD2      TYR  91   4.034   6.187 -10.585
  679    HD2  TYR  91           HD1      TYR  91   7.026   7.283 -13.491
  680    HE1  TYR  91           HE2      TYR  91   2.330   7.389 -11.871
  681    HE2  TYR  91           HE1      TYR  91   5.329   8.534 -14.772
  682    HH   TYR  91           HH       TYR  91   3.061   9.069 -14.964
  683    HB2  TYR  91           2HB      TYR  91   7.675   6.405 -11.299
  684    HB3  TYR  91           3HB      TYR  91   6.919   4.939 -11.856
  685    H    GLY  92           H        GLY  92   7.638   7.767  -9.685
  686    HA2  GLY  92           2HA      GLY  92   7.219   9.691  -8.560
  687    HA3  GLY  92           1HA      GLY  92   5.592   9.079  -8.213
  688    H    TYR  93           H        TYR  93   6.055  10.434  -6.265
  689    HA   TYR  93           HA       TYR  93   7.110   8.916  -4.009
  690    HD1  TYR  93           HD1      TYR  93   7.916  13.171  -4.038
  691    HD2  TYR  93           HD2      TYR  93   9.471  10.510  -7.060
  692    HE1  TYR  93           HE1      TYR  93   8.202  15.089  -5.567
  693    HE2  TYR  93           HE2      TYR  93   9.754  12.423  -8.604
  694    HH   TYR  93           HH       TYR  93   8.891  15.792  -7.683
  695    HB2  TYR  93           2HB      TYR  93   8.722  10.815  -3.491
  696    HB3  TYR  93           3HB      TYR  93   9.186   9.750  -4.798
  697    H    SER  94           H        SER  94   6.549   9.941  -1.997
  698    HA   SER  94           HA       SER  94   4.433  12.022  -2.100
  699    HG   SER  94           HG       SER  94   3.975  12.452   0.517
  700    HB2  SER  94           2HB      SER  94   3.963  10.323  -0.512
  701    HB3  SER  94           3HB      SER  94   5.641  10.199  -0.002
  702    H    MET  95           H        MET  95   4.916  13.964  -0.494
  703    HA   MET  95           HA       MET  95   7.845  14.626  -0.579
  704    HB2  MET  95           2HB      MET  95   7.305  16.970  -0.621
  705    HB3  MET  95           3HB      MET  95   6.706  16.136  -2.058
  706    HG2  MET  95           2HG      MET  95   4.438  16.164  -1.201
  707    HG3  MET  95           3HG      MET  95   4.972  16.761   0.360
  708    HE1  MET  95           3HE      MET  95   6.101  18.025  -3.307
  709    HE2  MET  95           1HE      MET  95   4.372  17.620  -3.429
  710    HE3  MET  95           2HE      MET  95   4.902  19.312  -3.538
  711    H    ALA  96           H        ALA  96   4.839  14.479   1.405
  712    HA   ALA  96           HA       ALA  96   6.268  15.468   3.761
  713    HB1  ALA  96           3HB      ALA  96   3.866  15.682   3.688
  714    HB2  ALA  96           1HB      ALA  96   3.670  13.933   3.442
  715    HB3  ALA  96           2HB      ALA  96   4.295  14.553   4.986
  716    H    TYR  97           H        TYR  97   5.875  12.337   2.161
  717    HA   TYR  97           HA       TYR  97   7.350  11.002   4.384
  718    HD1  TYR  97           HD2      TYR  97   5.490  10.477   6.305
  719    HD2  TYR  97           HD1      TYR  97   3.258  11.153   2.673
  720    HE1  TYR  97           HE2      TYR  97   3.682  11.558   7.612
  721    HE2  TYR  97           HE1      TYR  97   1.444  12.159   3.955
  722    HH   TYR  97           HH       TYR  97   0.725  12.901   6.073
  723    HB2  TYR  97           2HB      TYR  97   5.224   9.769   2.617
  724    HB3  TYR  97           3HB      TYR  97   5.909   9.124   4.098
  725    H    GLY  98           H        GLY  98   7.587  11.772   1.061
  726    HA2  GLY  98           2HA      GLY  98   9.369  11.351  -0.325
  727    HA3  GLY  98           1HA      GLY  98  10.051  10.290   0.902
  728    HA   PRO  99           HA       PRO  99   8.503   7.632  -2.661
  729    HB2  PRO  99           2HB      PRO  99  10.931   6.523  -3.348
  730    HB3  PRO  99           3HB      PRO  99  10.283   8.003  -4.090
  731    HG2  PRO  99           2HG      PRO  99  12.305   7.753  -1.858
  732    HG3  PRO  99           3HG      PRO  99  12.340   8.854  -3.270
  733    HD2  PRO  99           2HD      PRO  99  11.514   9.647  -0.780
  734    HD3  PRO  99           3HD      PRO  99  10.804  10.326  -2.273
  735    H    ALA 100           H        ALA 100   8.000   5.498  -2.251
  736    HA   ALA 100           HA       ALA 100   8.913   4.199   0.224
  737    HB1  ALA 100           3HB      ALA 100   6.576   3.936  -0.684
  738    HB2  ALA 100           1HB      ALA 100   7.276   3.153  -2.117
  739    HB3  ALA 100           2HB      ALA 100   7.421   2.388  -0.523
  740    H    GLN 101           H        GLN 101   9.613   1.747  -0.166
  741    HA   GLN 101           HA       GLN 101  12.043   1.623  -1.698
  742    HB2  GLN 101           2HB      GLN 101  10.270  -0.531  -0.458
  743    HB3  GLN 101           3HB      GLN 101  11.772  -0.886  -1.320
  744    HG2  GLN 101           2HG      GLN 101  13.049   0.525   0.247
  745    HG3  GLN 101           3HG      GLN 101  11.565   0.901   1.132
  746   HE21  GLN 101          2HE2      GLN 101  11.897  -0.130   3.115
  747   HE22  GLN 101          1HE2      GLN 101  12.270  -1.828   3.281
  748    H    HIS 102           H        HIS 102   8.689   1.060  -2.540
  749    HA   HIS 102           HA       HIS 102   7.556   0.309  -4.237
  750    HD1  HIS 102           HD1      HIS 102   9.902   3.927  -5.341
  751    HD2  HIS 102           HD2      HIS 102   6.175   2.032  -4.938
  752    HE1  HIS 102           HE1      HIS 102   8.249   5.727  -4.610
  753    HB2  HIS 102           2HB      HIS 102   9.908   1.313  -5.830
  754    HB3  HIS 102           3HB      HIS 102   8.357   0.820  -6.525
  755    H    ALA 103           H        ALA 103  10.616  -1.312  -3.951
  756    HA   ALA 103           HA       ALA 103  10.101  -3.548  -5.629
  757    HB1  ALA 103           3HB      ALA 103  12.305  -3.047  -4.619
  758    HB2  ALA 103           1HB      ALA 103  11.647  -3.331  -2.992
  759    HB3  ALA 103           2HB      ALA 103  11.763  -4.673  -4.154
  760    H    ILE 104           H        ILE 104   9.151  -2.821  -2.250
  761    HA   ILE 104           HA       ILE 104   7.907  -5.344  -1.720
  762    HB   ILE 104           HB       ILE 104   7.318  -2.588  -0.554
  763   HG12  ILE 104          2HG1      ILE 104   9.160  -4.779   0.516
  764   HG13  ILE 104          3HG1      ILE 104   9.718  -3.318  -0.294
  765   HG21  ILE 104          1HG2      ILE 104   6.701  -5.369   0.555
  766   HG22  ILE 104          2HG2      ILE 104   6.331  -3.823   1.353
  767   HG23  ILE 104          3HG2      ILE 104   5.508  -4.251  -0.137
  768   HD11  ILE 104          3HD1      ILE 104   8.664  -1.922   1.478
  769   HD12  ILE 104          1HD1      ILE 104   8.278  -3.417   2.373
  770   HD13  ILE 104          2HD1      ILE 104   9.959  -2.989   2.055
  771    H    SER 105           H        SER 105   6.654  -2.211  -3.080
  772    HA   SER 105           HA       SER 105   4.001  -2.932  -3.281
  773    HG   SER 105           HG       SER 105   5.056   0.415  -3.384
  774    HB2  SER 105           2HB      SER 105   5.321  -1.150  -5.328
  775    HB3  SER 105           3HB      SER 105   3.766  -0.963  -4.496
  776    H    THR 106           H        THR 106   6.656  -3.465  -5.767
  777    HA   THR 106           HA       THR 106   4.848  -4.606  -7.655
  778    HB   THR 106           HB       THR 106   7.137  -5.801  -8.354
  779    HG1  THR 106           1HG      THR 106   8.880  -4.918  -7.546
  780   HG21  THR 106          3HG2      THR 106   6.004  -4.190  -9.705
  781   HG22  THR 106          1HG2      THR 106   6.502  -2.839  -8.653
  782   HG23  THR 106          2HG2      THR 106   7.709  -3.739  -9.615
  783    H    GLU 107           H        GLU 107   6.982  -6.193  -5.169
  784    HA   GLU 107           HA       GLU 107   6.246  -8.819  -5.869
  785    HB2  GLU 107           2HB      GLU 107   7.118  -7.615  -3.211
  786    HB3  GLU 107           3HB      GLU 107   6.822  -9.344  -3.432
  787    HG2  GLU 107           2HG      GLU 107   8.490  -9.407  -5.271
  788    HG3  GLU 107           3HG      GLU 107   8.854  -7.706  -5.007
  789    H    LYS 108           H        LYS 108   4.644  -6.574  -3.554
  790    HA   LYS 108           HA       LYS 108   2.682  -8.547  -2.794
  791    HB2  LYS 108           2HB      LYS 108   2.803  -5.530  -2.416
  792    HB3  LYS 108           3HB      LYS 108   1.502  -6.564  -1.798
  793    HG2  LYS 108           2HG      LYS 108   3.215  -7.969  -0.624
  794    HG3  LYS 108           3HG      LYS 108   4.446  -6.781  -1.056
  795    HD2  LYS 108           2HD      LYS 108   3.264  -5.033   0.186
  796    HD3  LYS 108           3HD      LYS 108   1.920  -6.122   0.543
  797    HE2  LYS 108           2HE      LYS 108   4.804  -6.535   1.460
  798    HE3  LYS 108           3HE      LYS 108   3.505  -5.831   2.439
  799    HZ1  LYS 108           3HZ      LYS 108   2.300  -7.892   2.313
  800    HZ2  LYS 108           1HZ      LYS 108   3.429  -8.576   1.357
  801    HZ3  LYS 108           2HZ      LYS 108   3.804  -8.189   2.905
  802    H    ILE 109           H        ILE 109   2.583  -5.918  -5.354
  803    HA   ILE 109           HA       ILE 109  -0.208  -6.487  -5.840
  804    HB   ILE 109           HB       ILE 109   1.920  -4.937  -7.310
  805   HG12  ILE 109          2HG1      ILE 109  -0.630  -3.971  -5.976
  806   HG13  ILE 109          3HG1      ILE 109   0.919  -4.064  -5.144
  807   HG21  ILE 109          1HG2      ILE 109  -1.025  -5.112  -8.098
  808   HG22  ILE 109          2HG2      ILE 109   0.213  -4.123  -8.886
  809   HG23  ILE 109          3HG2      ILE 109   0.296  -5.873  -9.011
  810   HD11  ILE 109          3HD1      ILE 109   1.918  -2.518  -6.828
  811   HD12  ILE 109          1HD1      ILE 109   0.310  -2.326  -7.571
  812   HD13  ILE 109          2HD1      ILE 109   0.584  -1.800  -5.910
  813    H    LYS 110           H        LYS 110   2.897  -7.858  -7.142
  814    HA   LYS 110           HA       LYS 110   1.576  -9.540  -9.077
  815    HB2  LYS 110           2HB      LYS 110   4.189  -9.983  -7.553
  816    HB3  LYS 110           3HB      LYS 110   3.563 -11.052  -8.815
  817    HG2  LYS 110           2HG      LYS 110   3.544  -9.095 -10.399
  818    HG3  LYS 110           3HG      LYS 110   4.408  -8.169  -9.152
  819    HD2  LYS 110           2HD      LYS 110   6.280  -9.705  -9.207
  820    HD3  LYS 110           3HD      LYS 110   5.441 -10.734 -10.396
  821    HE2  LYS 110           2HE      LYS 110   5.382  -8.864 -12.011
  822    HE3  LYS 110           3HE      LYS 110   6.132  -7.786 -10.835
  823    HZ1  LYS 110           3HZ      LYS 110   8.118  -9.198 -10.902
  824    HZ2  LYS 110           1HZ      LYS 110   7.431 -10.187 -12.005
  825    HZ3  LYS 110           2HZ      LYS 110   7.767  -8.636 -12.388
  826    H    ALA 111           H        ALA 111   2.337 -10.071  -5.570
  827    HA   ALA 111           HA       ALA 111   1.258 -12.685  -5.480
  828    HB1  ALA 111           3HB      ALA 111   2.664 -11.702  -3.694
  829    HB2  ALA 111           1HB      ALA 111   1.337 -10.600  -3.253
  830    HB3  ALA 111           2HB      ALA 111   1.142 -12.350  -3.055
  831    H    LYS 112           H        LYS 112  -0.367  -9.508  -5.098
  832    HA   LYS 112           HA       LYS 112  -2.957 -10.531  -4.438
  833    HB2  LYS 112           2HB      LYS 112  -2.144  -8.185  -4.103
  834    HB3  LYS 112           3HB      LYS 112  -2.205  -7.949  -5.849
  835    HG2  LYS 112           2HG      LYS 112  -4.171  -6.991  -4.976
  836    HG3  LYS 112           3HG      LYS 112  -4.669  -8.486  -5.773
  837    HD2  LYS 112           2HD      LYS 112  -4.912  -9.609  -3.595
  838    HD3  LYS 112           3HD      LYS 112  -4.278  -8.173  -2.768
  839    HE2  LYS 112           2HE      LYS 112  -6.203  -6.889  -3.995
  840    HE3  LYS 112           3HE      LYS 112  -6.890  -8.489  -4.299
  841    HZ1  LYS 112           3HZ      LYS 112  -6.838  -8.805  -1.834
  842    HZ2  LYS 112           1HZ      LYS 112  -6.351  -7.232  -1.672
  843    HZ3  LYS 112           2HZ      LYS 112  -7.814  -7.585  -2.304
  844    H    TYR 113           H        TYR 113  -1.380  -9.878  -7.597
  845    HA   TYR 113           HA       TYR 113  -3.736 -11.088  -8.976
  846    HD1  TYR 113           HD2      TYR 113  -5.748  -9.430  -9.382
  847    HD2  TYR 113           HD1      TYR 113  -2.376  -6.899  -8.489
  848    HE1  TYR 113           HE2      TYR 113  -7.249  -7.856  -8.193
  849    HE2  TYR 113           HE1      TYR 113  -3.864  -5.302  -7.320
  850    HH   TYR 113           HH       TYR 113  -6.056  -4.830  -6.663
  851    HB2  TYR 113           2HB      TYR 113  -2.073  -8.728  -9.907
  852    HB3  TYR 113           3HB      TYR 113  -3.458  -9.435 -10.727
  853    HA   PRO 114           HA       PRO 114   0.302 -13.190  -9.999
  854    HB2  PRO 114           2HB      PRO 114  -0.459 -15.816  -9.722
  855    HB3  PRO 114           3HB      PRO 114   0.056 -14.782  -8.355
  856    HG2  PRO 114           2HG      PRO 114  -2.773 -15.392  -9.264
  857    HG3  PRO 114           3HG      PRO 114  -2.103 -15.467  -7.602
  858    HD2  PRO 114           2HD      PRO 114  -3.487 -13.298  -8.489
  859    HD3  PRO 114           3HD      PRO 114  -2.073 -13.118  -7.410
  860    H    ASP 115           H        ASP 115  -2.961 -13.483 -11.242
  861    HA   ASP 115           HA       ASP 115  -2.310 -14.810 -13.735
  862    HB2  ASP 115           2HB      ASP 115  -4.560 -14.806 -12.671
  863    HB3  ASP 115           3HB      ASP 115  -4.669 -13.064 -12.927
  864    H    TYR 116           H        TYR 116  -1.385 -11.783 -12.576
  865    HA   TYR 116           HA       TYR 116  -1.204 -10.557 -15.263
  866    HD1  TYR 116           HD2      TYR 116  -3.326  -9.619 -16.293
  867    HD2  TYR 116           HD1      TYR 116  -1.550  -6.701 -13.650
  868    HE1  TYR 116           HE2      TYR 116  -3.670  -7.863 -18.008
  869    HE2  TYR 116           HE1      TYR 116  -1.884  -4.946 -15.364
  870    HH   TYR 116           HH       TYR 116  -2.732  -4.450 -17.421
  871    HB2  TYR 116           2HB      TYR 116  -3.229  -9.834 -13.692
  872    HB3  TYR 116           3HB      TYR 116  -1.991  -8.922 -12.846
  873    H    GLU 117           H        GLU 117   0.063  -8.159 -14.426
  874    HA   GLU 117           HA       GLU 117   2.327  -8.950 -12.751
  875    HB2  GLU 117           2HB      GLU 117   2.671  -9.661 -15.267
  876    HB3  GLU 117           3HB      GLU 117   2.952  -7.931 -15.534
  877    HG2  GLU 117           2HG      GLU 117   4.815  -8.013 -13.906
  878    HG3  GLU 117           3HG      GLU 117   4.442  -9.707 -13.563
  879    H    VAL 118           H        VAL 118   3.840  -7.089 -12.475
  880    HA   VAL 118           HA       VAL 118   2.805  -4.438 -12.971
  881    HB   VAL 118           HB       VAL 118   1.715  -5.021 -10.853
  882   HG11  VAL 118          1HG1      VAL 118   4.422  -5.959  -9.937
  883   HG12  VAL 118          2HG1      VAL 118   3.123  -5.561  -8.834
  884   HG13  VAL 118          3HG1      VAL 118   2.858  -6.820 -10.022
  885   HG21  VAL 118          3HG2      VAL 118   4.053  -3.214 -10.155
  886   HG22  VAL 118          1HG2      VAL 118   2.635  -2.699 -11.063
  887   HG23  VAL 118          2HG2      VAL 118   2.455  -3.266  -9.398
  888    H    THR 119           H        THR 119   4.595  -2.887 -12.759
  889    HA   THR 119           HA       THR 119   7.218  -3.964 -11.925
  890    HB   THR 119           HB       THR 119   8.245  -2.738 -13.895
  891    HG1  THR 119           1HG      THR 119   6.967  -2.386 -15.658
  892   HG21  THR 119          3HG2      THR 119   8.050  -5.205 -13.766
  893   HG22  THR 119          1HG2      THR 119   6.479  -5.117 -14.596
  894   HG23  THR 119          2HG2      THR 119   7.965  -4.600 -15.430
  895    H    TRP 120           H        TRP 120   8.816  -2.008 -11.769
  896    HA   TRP 120           HA       TRP 120   7.466   0.535 -11.403
  897    HD1  TRP 120           HD1      TRP 120   9.244  -2.477  -8.426
  898    HE1  TRP 120           HE1      TRP 120  11.560  -2.434  -7.374
  899    HE3  TRP 120           HE3      TRP 120  10.351   2.534  -9.079
  900    HZ2  TRP 120           HZ2      TRP 120  13.619  -0.491  -6.813
  901    HZ3  TRP 120           HZ3      TRP 120  12.500   3.403  -8.243
  902    HH2  TRP 120           HH2      TRP 120  14.135   1.928  -7.116
  903    HB2  TRP 120           2HB      TRP 120   8.137   1.042  -9.239
  904    HB3  TRP 120           3HB      TRP 120   7.496  -0.583  -9.083
  905    H    ALA 121           H        ALA 121   8.856   2.267 -11.604
  906    HA   ALA 121           HA       ALA 121  11.731   2.000 -11.712
  907    HB1  ALA 121           3HB      ALA 121  11.171   1.381 -14.073
  908    HB2  ALA 121           1HB      ALA 121  10.133   2.810 -14.211
  909    HB3  ALA 121           2HB      ALA 121  11.889   3.006 -14.009
  910    H    ASN 122           H        ASN 122  12.475   4.095 -10.991
  911    HA   ASN 122           HA       ASN 122  10.328   5.927 -10.253
  912    HB2  ASN 122           2HB      ASN 122  12.094   5.512  -8.634
  913    HB3  ASN 122           3HB      ASN 122  13.305   6.178  -9.745
  914   HD21  ASN 122          2HD2      ASN 122  13.898   8.053  -8.530
  915   HD22  ASN 122          1HD2      ASN 122  12.763   9.309  -8.113
  916    H    ASP 123           H        ASP 123  10.260   5.749 -12.913
  917    HA   ASP 123           HA       ASP 123  12.139   7.205 -14.487
  918    HB2  ASP 123           2HB      ASP 123  10.713   5.385 -15.334
  919    HB3  ASP 123           3HB      ASP 123   9.268   6.353 -15.013
  920    H    GLY 124           H        GLY 124   9.219   8.182 -12.798
  921    HA2  GLY 124           2HA      GLY 124   9.651  10.990 -13.151
  922    HA3  GLY 124           1HA      GLY 124   8.322  10.404 -14.178
  923    H    TYR 125           H        TYR 125   7.280  12.034 -12.561
  924    HA   TYR 125           HA       TYR 125   6.903  11.341  -9.845
  925    HD1  TYR 125           HD1      TYR 125   6.393  13.121  -8.128
  926    HD2  TYR 125           HD2      TYR 125   2.965  13.119 -10.750
  927    HE1  TYR 125           HE1      TYR 125   4.915  13.475  -6.183
  928    HE2  TYR 125           HE2      TYR 125   1.475  13.475  -8.808
  929    HH   TYR 125           HH       TYR 125   2.729  13.778  -5.450
  930    HB2  TYR 125           2HB      TYR 125   6.493  13.585 -10.736
  931    HB3  TYR 125           3HB      TYR 125   5.136  12.988 -11.688
  Start of MODEL    6
    1    HA   MET   1           HA       MET   1 -14.232  -9.159  21.673
    2    H1   MET   1           H1       MET   1 -15.671 -11.559  21.336
    3    H2   MET   1           H2       MET   1 -16.224 -10.020  21.416
    4    H3   MET   1           H3       MET   1 -15.990 -10.885  22.794
    5    HB2  MET   1           2HB      MET   1 -13.697 -11.428  23.644
    6    HB3  MET   1           3HB      MET   1 -12.521 -10.179  23.223
    7    HG2  MET   1           2HG      MET   1 -14.071  -8.420  24.005
    8    HG3  MET   1           3HG      MET   1 -15.240  -9.656  24.482
    9    HE1  MET   1           3HE      MET   1 -14.233  -7.343  26.404
   10    HE2  MET   1           1HE      MET   1 -15.407  -8.590  26.885
   11    HE3  MET   1           2HE      MET   1 -14.000  -8.249  27.915
   12    H    ALA   2           H        ALA   2 -12.411  -9.259  20.342
   13    HA   ALA   2           HA       ALA   2 -11.331 -11.789  19.404
   14    HB1  ALA   2           3HB      ALA   2 -13.238 -11.474  17.829
   15    HB2  ALA   2           1HB      ALA   2 -12.660  -9.833  17.456
   16    HB3  ALA   2           2HB      ALA   2 -11.688 -11.250  17.005
   17    H    VAL   3           H        VAL   3  -9.443 -11.235  17.865
   18    HA   VAL   3           HA       VAL   3  -8.364  -8.538  18.081
   19    HB   VAL   3           HB       VAL   3  -7.650  -9.501  20.189
   20   HG11  VAL   3          1HG1      VAL   3  -6.327 -11.768  18.647
   21   HG12  VAL   3          2HG1      VAL   3  -6.172 -11.444  20.384
   22   HG13  VAL   3          3HG1      VAL   3  -7.738 -11.914  19.719
   23   HG21  VAL   3          3HG2      VAL   3  -5.253  -9.490  18.337
   24   HG22  VAL   3          1HG2      VAL   3  -6.074  -8.027  18.931
   25   HG23  VAL   3          2HG2      VAL   3  -5.286  -9.130  20.071
   26    H    ALA   4           H        ALA   4  -6.980  -8.116  16.348
   27    HA   ALA   4           HA       ALA   4  -7.150  -9.958  14.096
   28    HB1  ALA   4           3HB      ALA   4  -7.414  -7.489  13.855
   29    HB2  ALA   4           1HB      ALA   4  -5.718  -7.272  14.344
   30    HB3  ALA   4           2HB      ALA   4  -6.112  -8.132  12.847
   31    H    ASP   5           H        ASP   5  -4.938  -9.941  12.734
   32    HA   ASP   5           HA       ASP   5  -2.491 -10.260  14.259
   33    HB2  ASP   5           2HB      ASP   5  -3.394 -12.558  14.427
   34    HB3  ASP   5           3HB      ASP   5  -3.701 -12.584  12.689
   35    H    LEU   6           H        LEU   6  -0.668 -10.130  12.687
   36    HA   LEU   6           HA       LEU   6  -1.166  -8.302  10.624
   37    HG   LEU   6           HG       LEU   6   1.124  -8.803  12.945
   38    HB2  LEU   6           2HB      LEU   6   1.196 -10.199  10.959
   39    HB3  LEU   6           3HB      LEU   6   1.138  -8.795   9.910
   40   HD11  LEU   6          1HD1      LEU   6   3.067  -7.527  10.982
   41   HD12  LEU   6          2HD1      LEU   6   3.256  -7.696  12.735
   42   HD13  LEU   6          3HD1      LEU   6   3.308  -9.128  11.700
   43   HD21  LEU   6          3HD2      LEU   6   0.764  -6.449  11.040
   44   HD22  LEU   6          1HD2      LEU   6  -0.369  -6.998  12.300
   45   HD23  LEU   6          2HD2      LEU   6   1.177  -6.299  12.760
   46    H    ALA   7           H        ALA   7  -1.116 -11.883  10.440
   47    HA   ALA   7           HA       ALA   7  -0.975 -11.986   7.596
   48    HB1  ALA   7           3HB      ALA   7  -0.438 -13.904   9.062
   49    HB2  ALA   7           1HB      ALA   7  -2.143 -13.993   9.569
   50    HB3  ALA   7           2HB      ALA   7  -1.696 -14.320   7.883
   51    H    LEU   8           H        LEU   8  -3.596 -11.246   9.813
   52    HA   LEU   8           HA       LEU   8  -5.719 -11.977   7.905
   53    HG   LEU   8           HG       LEU   8  -5.083 -13.047  10.805
   54    HB2  LEU   8           2HB      LEU   8  -5.852 -10.664  10.650
   55    HB3  LEU   8           3HB      LEU   8  -7.232 -11.187   9.699
   56   HD11  LEU   8          1HD1      LEU   8  -7.950 -12.561  11.719
   57   HD12  LEU   8          2HD1      LEU   8  -6.833 -13.779  12.375
   58   HD13  LEU   8          3HD1      LEU   8  -6.477 -12.061  12.576
   59   HD21  LEU   8          3HD2      LEU   8  -7.704 -13.669   9.372
   60   HD22  LEU   8          1HD2      LEU   8  -6.063 -14.004   8.775
   61   HD23  LEU   8          2HD2      LEU   8  -6.671 -14.862  10.190
   62    H    ILE   9           H        ILE   9  -3.840  -9.127   8.769
   63    HA   ILE   9           HA       ILE   9  -5.770  -7.166   8.017
   64    HB   ILE   9           HB       ILE   9  -2.755  -6.945   7.772
   65   HG12  ILE   9          2HG1      ILE   9  -4.532  -6.159  10.139
   66   HG13  ILE   9          3HG1      ILE   9  -3.487  -7.581  10.106
   67   HG21  ILE   9          1HG2      ILE   9  -4.900  -4.803   8.054
   68   HG22  ILE   9          2HG2      ILE   9  -3.153  -4.511   7.935
   69   HG23  ILE   9          3HG2      ILE   9  -4.013  -5.188   6.564
   70   HD11  ILE   9          3HD1      ILE   9  -1.497  -6.084   9.802
   71   HD12  ILE   9          1HD1      ILE   9  -2.570  -4.693  10.080
   72   HD13  ILE   9          2HD1      ILE   9  -2.354  -5.900  11.348
   73    HA   PRO  10           HA       PRO  10  -5.947  -8.033   3.556
   74    HB2  PRO  10           2HB      PRO  10  -6.493  -5.060   3.599
   75    HB3  PRO  10           3HB      PRO  10  -7.272  -6.327   2.598
   76    HG2  PRO  10           2HG      PRO  10  -8.507  -5.419   4.825
   77    HG3  PRO  10           3HG      PRO  10  -8.449  -7.186   4.510
   78    HD2  PRO  10           2HD      PRO  10  -6.721  -5.547   6.373
   79    HD3  PRO  10           3HD      PRO  10  -7.467  -7.152   6.633
   80    H    ASP  11           H        ASP  11  -4.087  -8.365   2.549
   81    HA   ASP  11           HA       ASP  11  -1.725  -6.951   3.201
   82    HB2  ASP  11           2HB      ASP  11  -2.151  -9.416   2.466
   83    HB3  ASP  11           3HB      ASP  11  -2.020  -8.801   0.814
   84    H    VAL  12           H        VAL  12  -3.944  -6.670   0.488
   85    HA   VAL  12           HA       VAL  12  -2.745  -4.125  -0.310
   86    HB   VAL  12           HB       VAL  12  -3.563  -6.285  -2.296
   87   HG11  VAL  12          1HG1      VAL  12  -2.291  -3.557  -2.778
   88   HG12  VAL  12          2HG1      VAL  12  -2.603  -4.785  -4.025
   89   HG13  VAL  12          3HG1      VAL  12  -3.954  -4.036  -3.178
   90   HG21  VAL  12          3HG2      VAL  12  -0.741  -5.401  -1.613
   91   HG22  VAL  12          1HG2      VAL  12  -1.447  -7.018  -1.408
   92   HG23  VAL  12          2HG2      VAL  12  -1.182  -6.380  -3.031
   93    H    ASP  13           H        ASP  13  -4.527  -2.691  -0.833
   94    HA   ASP  13           HA       ASP  13  -7.057  -3.880  -1.613
   95    HB2  ASP  13           2HB      ASP  13  -7.236  -3.858   0.904
   96    HB3  ASP  13           3HB      ASP  13  -7.077  -2.104   0.852
   97    H    ILE  14           H        ILE  14  -7.966  -2.607  -3.100
   98    HA   ILE  14           HA       ILE  14  -7.434   0.234  -3.411
   99    HB   ILE  14           HB       ILE  14  -6.659  -0.028  -5.739
  100   HG12  ILE  14          2HG1      ILE  14  -6.306  -3.000  -5.125
  101   HG13  ILE  14          3HG1      ILE  14  -7.522  -2.309  -6.200
  102   HG21  ILE  14          1HG2      ILE  14  -4.685  -1.457  -3.918
  103   HG22  ILE  14          2HG2      ILE  14  -4.335  -0.390  -5.296
  104   HG23  ILE  14          3HG2      ILE  14  -5.032   0.277  -3.822
  105   HD11  ILE  14          3HD1      ILE  14  -5.698  -1.423  -7.663
  106   HD12  ILE  14          1HD1      ILE  14  -4.513  -2.276  -6.640
  107   HD13  ILE  14          2HD1      ILE  14  -5.733  -3.192  -7.534
  108    H    ASP  15           H        ASP  15  -8.938   1.002  -5.278
  109    HA   ASP  15           HA       ASP  15 -11.142  -0.917  -5.851
  110    HB2  ASP  15           2HB      ASP  15 -11.806   0.151  -3.752
  111    HB3  ASP  15           3HB      ASP  15 -11.564   1.749  -4.465
  112    H    SER  16           H        SER  16  -9.732   2.358  -6.486
  113    HA   SER  16           HA       SER  16 -11.251   2.801  -8.872
  114    HG   SER  16           HG       SER  16  -7.859   3.664  -7.531
  115    HB2  SER  16           2HB      SER  16  -9.142   4.393  -9.213
  116    HB3  SER  16           3HB      SER  16 -10.422   4.739  -8.049
  117    H    ASP  17           H        ASP  17 -10.170   2.980 -11.051
  118    HA   ASP  17           HA       ASP  17  -8.113   0.932 -11.628
  119    HB2  ASP  17           2HB      ASP  17 -10.150  -0.343 -11.826
  120    HB3  ASP  17           3HB      ASP  17 -10.930   0.935 -12.763
  121    H    GLY  18           H        GLY  18  -6.793   2.743 -12.020
  122    HA2  GLY  18           2HA      GLY  18  -6.560   3.855 -14.551
  123    HA3  GLY  18           1HA      GLY  18  -7.540   4.990 -13.595
  124    H    VAL  19           H        VAL  19  -5.484   6.351 -13.968
  125    HA   VAL  19           HA       VAL  19  -3.179   5.828 -12.341
  126    HB   VAL  19           HB       VAL  19  -4.326   8.433 -13.441
  127   HG11  VAL  19          1HG1      VAL  19  -1.621   7.789 -12.208
  128   HG12  VAL  19          2HG1      VAL  19  -1.943   9.248 -13.181
  129   HG13  VAL  19          3HG1      VAL  19  -2.803   8.987 -11.662
  130   HG21  VAL  19          3HG2      VAL  19  -2.265   6.491 -14.572
  131   HG22  VAL  19          1HG2      VAL  19  -3.819   6.944 -15.283
  132   HG23  VAL  19          2HG2      VAL  19  -2.530   8.140 -15.186
  133    H    PHE  20           H        PHE  20  -3.041   5.966 -10.097
  134    HA   PHE  20           HA       PHE  20  -4.313   8.143  -8.720
  135    HD1  PHE  20           HD2      PHE  20  -4.301   4.715  -6.183
  136    HD2  PHE  20           HD1      PHE  20  -6.559   4.744  -9.847
  137    HE1  PHE  20           HE2      PHE  20  -4.390   2.240  -6.142
  138    HE2  PHE  20           HE1      PHE  20  -6.608   2.262  -9.825
  139    HZ   PHE  20           HZ       PHE  20  -5.540   1.007  -7.969
  140    HB2  PHE  20           2HB      PHE  20  -5.495   6.796  -7.015
  141    HB3  PHE  20           3HB      PHE  20  -6.266   6.786  -8.578
  142    H    LYS  21           H        LYS  21  -3.625   8.259  -6.428
  143    HA   LYS  21           HA       LYS  21  -0.821   7.493  -6.187
  144    HB2  LYS  21           2HB      LYS  21  -2.733   9.066  -4.425
  145    HB3  LYS  21           3HB      LYS  21  -1.036   8.759  -4.047
  146    HG2  LYS  21           2HG      LYS  21  -0.292   9.914  -6.062
  147    HG3  LYS  21           3HG      LYS  21  -1.972  10.203  -6.556
  148    HD2  LYS  21           2HD      LYS  21  -2.364  11.577  -4.565
  149    HD3  LYS  21           3HD      LYS  21  -0.717  11.261  -3.983
  150    HE2  LYS  21           2HE      LYS  21   0.205  12.297  -6.055
  151    HE3  LYS  21           3HE      LYS  21  -1.437  12.622  -6.622
  152    HZ1  LYS  21           3HZ      LYS  21  -1.749  14.079  -4.722
  153    HZ2  LYS  21           1HZ      LYS  21  -0.211  13.792  -4.194
  154    HZ3  LYS  21           2HZ      LYS  21  -0.459  14.561  -5.612
  155    H    TYR  22           H        TYR  22   0.053   6.325  -4.363
  156    HA   TYR  22           HA       TYR  22  -1.803   4.820  -2.681
  157    HD1  TYR  22           HD2      TYR  22   1.526   4.104  -5.412
  158    HD2  TYR  22           HD1      TYR  22   0.252   1.625  -2.131
  159    HE1  TYR  22           HE2      TYR  22   3.886   3.514  -4.940
  160    HE2  TYR  22           HE1      TYR  22   2.587   1.033  -1.641
  161    HH   TYR  22           HH       TYR  22   4.817   1.514  -2.105
  162    HB2  TYR  22           2HB      TYR  22  -1.335   2.740  -3.444
  163    HB3  TYR  22           3HB      TYR  22  -0.954   3.542  -4.948
  164    H    VAL  23           H        VAL  23  -0.531   3.742  -0.865
  165    HA   VAL  23           HA       VAL  23   2.145   4.903  -0.401
  166    HB   VAL  23           HB       VAL  23   1.581   5.202   2.018
  167   HG11  VAL  23          1HG1      VAL  23   0.029   6.999   0.124
  168   HG12  VAL  23          2HG1      VAL  23   0.499   7.394   1.793
  169   HG13  VAL  23          3HG1      VAL  23   1.741   7.149   0.561
  170   HG21  VAL  23          3HG2      VAL  23  -1.308   4.917   1.092
  171   HG22  VAL  23          1HG2      VAL  23  -0.443   3.838   2.180
  172   HG23  VAL  23          2HG2      VAL  23  -0.785   5.511   2.678
  173    H    LEU  24           H        LEU  24   3.433   3.689   1.000
  174    HA   LEU  24           HA       LEU  24   2.701   0.800   1.141
  175    HG   LEU  24           HG       LEU  24   5.694   0.113   2.245
  176    HB2  LEU  24           2HB      LEU  24   4.598   1.331  -0.323
  177    HB3  LEU  24           3HB      LEU  24   5.391   2.217   0.976
  178   HD11  LEU  24          1HD1      LEU  24   4.403  -1.266  -0.143
  179   HD12  LEU  24          2HD1      LEU  24   5.205  -2.063   1.229
  180   HD13  LEU  24          3HD1      LEU  24   3.715  -1.173   1.500
  181   HD21  LEU  24          3HD2      LEU  24   6.601  -0.091  -0.662
  182   HD22  LEU  24          1HD2      LEU  24   7.381   0.887   0.605
  183   HD23  LEU  24          2HD2      LEU  24   7.359  -0.869   0.757
  184    H    ILE  25           H        ILE  25   2.219   0.264   3.307
  185    HA   ILE  25           HA       ILE  25   3.314   2.055   5.449
  186    HB   ILE  25           HB       ILE  25   0.535   0.898   5.093
  187   HG12  ILE  25          2HG1      ILE  25   1.411   3.788   5.496
  188   HG13  ILE  25          3HG1      ILE  25   1.103   3.074   3.915
  189   HG21  ILE  25          1HG2      ILE  25   1.688   2.312   7.541
  190   HG22  ILE  25          2HG2      ILE  25  -0.021   1.872   7.323
  191   HG23  ILE  25          3HG2      ILE  25   1.176   0.612   7.454
  192   HD11  ILE  25          3HD1      ILE  25  -1.240   2.605   4.555
  193   HD12  ILE  25          1HD1      ILE  25  -0.971   3.407   6.126
  194   HD13  ILE  25          2HD1      ILE  25  -0.844   4.330   4.637
  195    H    ARG  26           H        ARG  26   4.467   1.055   6.922
  196    HA   ARG  26           HA       ARG  26   4.521  -1.899   7.077
  197    HE   ARG  26           HE       ARG  26   8.048  -3.028   7.303
  198    HB2  ARG  26           2HB      ARG  26   6.626  -0.584   7.192
  199    HB3  ARG  26           3HB      ARG  26   6.044   0.266   8.622
  200    HG2  ARG  26           2HG      ARG  26   6.127  -1.690   9.974
  201    HG3  ARG  26           3HG      ARG  26   6.206  -2.780   8.584
  202    HD2  ARG  26           2HD      ARG  26   8.416  -0.787   9.211
  203    HD3  ARG  26           3HD      ARG  26   8.378  -2.432   9.881
  204   HH11  ARG  26          1HH2      ARG  26  10.492  -0.853   8.729
  205   HH12  ARG  26          2HH2      ARG  26  11.641  -1.167   7.481
  206   HH21  ARG  26          1HH1      ARG  26   9.438  -3.439   5.801
  207   HH22  ARG  26          2HH1      ARG  26  11.038  -2.721   5.710
  208    H    VAL  27           H        VAL  27   3.765  -2.964   8.933
  209    HA   VAL  27           HA       VAL  27   2.470  -1.413  11.064
  210    HB   VAL  27           HB       VAL  27   0.663  -1.854   9.565
  211   HG11  VAL  27          1HG1      VAL  27   1.505  -4.768   9.478
  212   HG12  VAL  27          2HG1      VAL  27  -0.029  -4.123   8.850
  213   HG13  VAL  27          3HG1      VAL  27   1.497  -3.611   8.128
  214   HG21  VAL  27          3HG2      VAL  27   0.484  -3.979  11.734
  215   HG22  VAL  27          1HG2      VAL  27   0.310  -2.235  12.006
  216   HG23  VAL  27          2HG2      VAL  27  -0.844  -3.083  10.962
  217    H    HIS  28           H        HIS  28   2.566  -2.531  13.055
  218    HA   HIS  28           HA       HIS  28   4.446  -4.861  13.119
  219    HD1  HIS  28           HD1      HIS  28   7.177  -3.687  13.075
  220    HD2  HIS  28           HD2      HIS  28   4.693  -0.419  14.015
  221    HE1  HIS  28           HE1      HIS  28   8.306  -1.619  12.105
  222    HB2  HIS  28           2HB      HIS  28   4.077  -2.675  15.200
  223    HB3  HIS  28           3HB      HIS  28   5.293  -3.954  15.199
  224    H    SER  29           H        SER  29   4.037  -6.395  14.856
  225    HA   SER  29           HA       SER  29   1.366  -7.025  15.418
  226    HG   SER  29           HG       SER  29   2.948  -9.607  15.080
  227    HB2  SER  29           2HB      SER  29   3.823  -7.875  16.960
  228    HB3  SER  29           3HB      SER  29   2.271  -8.725  16.874
  229    H    ALA  30           H        ALA  30   0.411  -5.081  16.240
  230    HA   ALA  30           HA       ALA  30   0.450  -5.132  19.189
  231    HB1  ALA  30           3HB      ALA  30   1.785  -3.174  18.497
  232    HB2  ALA  30           1HB      ALA  30   0.419  -2.566  17.543
  233    HB3  ALA  30           2HB      ALA  30   0.292  -2.683  19.308
  234    HA   PRO  31           HA       PRO  31  -3.995  -4.809  17.087
  235    HB2  PRO  31           2HB      PRO  31  -3.859  -7.787  17.604
  236    HB3  PRO  31           3HB      PRO  31  -4.948  -6.894  16.501
  237    HG2  PRO  31           2HG      PRO  31  -2.706  -8.146  15.583
  238    HG3  PRO  31           3HG      PRO  31  -3.181  -6.546  14.946
  239    HD2  PRO  31           2HD      PRO  31  -1.026  -7.239  16.914
  240    HD3  PRO  31           3HD      PRO  31  -1.095  -5.945  15.679
  241    H    ARG  32           H        ARG  32  -5.580  -4.480  18.527
  242    HA   ARG  32           HA       ARG  32  -6.323  -3.731  20.507
  243    HE   ARG  32           HE       ARG  32  -8.560  -3.241  21.511
  244    HB2  ARG  32           2HB      ARG  32  -6.173  -6.722  20.993
  245    HB3  ARG  32           3HB      ARG  32  -7.069  -5.645  22.045
  246    HG2  ARG  32           2HG      ARG  32  -7.704  -5.648  19.080
  247    HG3  ARG  32           3HG      ARG  32  -8.290  -6.931  20.128
  248    HD2  ARG  32           2HD      ARG  32 -10.002  -5.222  19.905
  249    HD3  ARG  32           3HD      ARG  32  -9.452  -5.356  21.566
  250   HH11  ARG  32          1HH2      ARG  32  -9.776  -4.031  18.251
  251   HH12  ARG  32          2HH2      ARG  32  -9.604  -2.389  17.689
  252   HH21  ARG  32          1HH1      ARG  32  -8.290  -1.096  20.650
  253   HH22  ARG  32          2HH1      ARG  32  -8.720  -0.790  18.993
  254    H    SER  33           H        SER  33  -3.344  -3.656  20.399
  255    HA   SER  33           HA       SER  33  -1.552  -3.359  21.666
  256    HG   SER  33           HG       SER  33  -3.249  -0.410  22.813
  257    HB2  SER  33           2HB      SER  33  -3.485  -2.456  23.832
  258    HB3  SER  33           3HB      SER  33  -1.792  -1.978  23.631
  259    H    GLY  34           H        GLY  34  -2.716  -6.061  21.716
  260    HA2  GLY  34           2HA      GLY  34  -1.508  -7.099  24.225
  261    HA3  GLY  34           1HA      GLY  34  -3.232  -7.358  23.931
  262    H    ALA  35           H        ALA  35  -1.931  -7.515  20.853
  263    HA   ALA  35           HA       ALA  35  -1.965 -10.317  20.594
  264    HB1  ALA  35           3HB      ALA  35  -2.091  -8.785  18.685
  265    HB2  ALA  35           1HB      ALA  35  -0.416  -8.248  18.976
  266    HB3  ALA  35           2HB      ALA  35  -0.746  -9.919  18.472
  267    HA   PRO  36           HA       PRO  36   1.875 -11.183  22.718
  268    HB2  PRO  36           2HB      PRO  36   2.180 -13.856  22.242
  269    HB3  PRO  36           3HB      PRO  36   0.859 -13.203  23.257
  270    HG2  PRO  36           2HG      PRO  36   0.740 -13.973  20.320
  271    HG3  PRO  36           3HG      PRO  36  -0.385 -14.447  21.634
  272    HD2  PRO  36           2HD      PRO  36  -0.911 -12.350  19.962
  273    HD3  PRO  36           3HD      PRO  36  -1.371 -12.309  21.692
  274    H    ALA  37           H        ALA  37   1.604 -11.658  19.255
  275    HA   ALA  37           HA       ALA  37   4.323 -12.407  18.706
  276    HB1  ALA  37           3HB      ALA  37   2.489 -12.793  17.113
  277    HB2  ALA  37           1HB      ALA  37   2.219 -11.043  16.964
  278    HB3  ALA  37           2HB      ALA  37   3.733 -11.767  16.384
  279    H    ALA  38           H        ALA  38   5.862 -10.996  17.506
  280    HA   ALA  38           HA       ALA  38   5.701  -8.102  17.880
  281    HB1  ALA  38           3HB      ALA  38   6.610  -8.786  20.049
  282    HB2  ALA  38           1HB      ALA  38   7.905  -9.702  19.237
  283    HB3  ALA  38           2HB      ALA  38   7.818  -7.928  19.074
  284    H    GLU  39           H        GLU  39   5.428  -8.759  15.545
  285    HA   GLU  39           HA       GLU  39   8.036  -8.719  14.165
  286    HB2  GLU  39           2HB      GLU  39   7.101 -10.273  12.444
  287    HB3  GLU  39           3HB      GLU  39   7.457 -11.021  13.997
  288    HG2  GLU  39           2HG      GLU  39   5.069 -11.033  14.579
  289    HG3  GLU  39           3HG      GLU  39   4.683 -10.188  13.081
  290    H    SER  40           H        SER  40   7.095  -8.446  11.587
  291    HA   SER  40           HA       SER  40   5.232  -6.167  11.632
  292    HG   SER  40           HG       SER  40   8.777  -5.110  12.075
  293    HB2  SER  40           2HB      SER  40   7.955  -5.971  10.343
  294    HB3  SER  40           3HB      SER  40   6.777  -4.678  10.568
  295    H    LYS  41           H        LYS  41   4.588  -5.509   9.499
  296    HA   LYS  41           HA       LYS  41   4.876  -7.361   7.230
  297    HB2  LYS  41           2HB      LYS  41   3.168  -8.402   8.604
  298    HB3  LYS  41           3HB      LYS  41   2.342  -6.884   8.866
  299    HG2  LYS  41           2HG      LYS  41   2.445  -7.712   6.003
  300    HG3  LYS  41           3HG      LYS  41   1.648  -8.860   7.082
  301    HD2  LYS  41           2HD      LYS  41   0.163  -7.109   7.961
  302    HD3  LYS  41           3HD      LYS  41   0.964  -5.907   6.954
  303    HE2  LYS  41           2HE      LYS  41  -1.200  -6.543   6.046
  304    HE3  LYS  41           3HE      LYS  41   0.106  -6.925   4.918
  305    HZ1  LYS  41           3HZ      LYS  41  -0.274  -9.110   5.127
  306    HZ2  LYS  41           1HZ      LYS  41  -0.883  -9.039   6.694
  307    HZ3  LYS  41           2HZ      LYS  41  -1.802  -8.596   5.421
  308    H    GLU  42           H        GLU  42   3.657  -6.251   5.318
  309    HA   GLU  42           HA       GLU  42   3.390  -3.325   5.734
  310    HB2  GLU  42           2HB      GLU  42   4.678  -4.734   3.361
  311    HB3  GLU  42           3HB      GLU  42   4.176  -3.055   3.381
  312    HG2  GLU  42           2HG      GLU  42   6.449  -2.927   3.735
  313    HG3  GLU  42           3HG      GLU  42   5.744  -2.647   5.316
  314    H    ILE  43           H        ILE  43   1.799  -2.358   4.473
  315    HA   ILE  43           HA       ILE  43   0.015  -4.099   2.888
  316    HB   ILE  43           HB       ILE  43  -1.918  -2.791   3.700
  317   HG12  ILE  43          2HG1      ILE  43   0.030  -1.593   5.719
  318   HG13  ILE  43          3HG1      ILE  43  -0.853  -0.737   4.448
  319   HG21  ILE  43          1HG2      ILE  43  -0.389  -4.158   5.935
  320   HG22  ILE  43          2HG2      ILE  43  -2.157  -4.016   5.768
  321   HG23  ILE  43          3HG2      ILE  43  -1.257  -4.985   4.605
  322   HD11  ILE  43          3HD1      ILE  43  -2.997  -1.276   5.601
  323   HD12  ILE  43          1HD1      ILE  43  -2.079  -2.060   6.908
  324   HD13  ILE  43          2HD1      ILE  43  -1.877  -0.337   6.609
  325    H    VAL  44           H        VAL  44  -1.078  -3.013   1.229
  326    HA   VAL  44           HA       VAL  44   0.292  -0.567   0.192
  327    HB   VAL  44           HB       VAL  44  -0.577  -3.135  -1.211
  328   HG11  VAL  44          1HG1      VAL  44   0.896  -0.757  -2.406
  329   HG12  VAL  44          2HG1      VAL  44   0.448  -2.260  -3.232
  330   HG13  VAL  44          3HG1      VAL  44  -0.816  -1.150  -2.697
  331   HG21  VAL  44          3HG2      VAL  44   2.242  -2.082  -0.760
  332   HG22  VAL  44          1HG2      VAL  44   1.511  -3.463   0.086
  333   HG23  VAL  44          2HG2      VAL  44   1.778  -3.552  -1.651
  334    H    ARG  45           H        ARG  45  -1.230   1.038   0.049
  335    HA   ARG  45           HA       ARG  45  -4.037   0.309  -0.636
  336    HE   ARG  45           HE       ARG  45  -4.267  -2.692   2.451
  337    HB2  ARG  45           2HB      ARG  45  -3.190   2.217   1.592
  338    HB3  ARG  45           3HB      ARG  45  -4.846   1.929   1.077
  339    HG2  ARG  45           2HG      ARG  45  -2.993  -0.091   2.421
  340    HG3  ARG  45           3HG      ARG  45  -4.326   0.778   3.175
  341    HD2  ARG  45           2HD      ARG  45  -5.980  -0.385   1.889
  342    HD3  ARG  45           3HD      ARG  45  -4.760  -1.128   0.867
  343   HH11  ARG  45          1HH2      ARG  45  -6.471  -0.321   3.896
  344   HH12  ARG  45          2HH2      ARG  45  -6.658  -1.178   5.377
  345   HH21  ARG  45          1HH1      ARG  45  -4.529  -3.867   4.397
  346   HH22  ARG  45          2HH1      ARG  45  -5.486  -3.212   5.687
  347    H    GLY  46           H        GLY  46  -4.982   1.809  -2.038
  348    HA2  GLY  46           2HA      GLY  46  -3.993   4.479  -2.336
  349    HA3  GLY  46           1HA      GLY  46  -3.412   3.432  -3.649
  350    H    TYR  47           H        TYR  47  -5.402   5.697  -3.585
  351    HA   TYR  47           HA       TYR  47  -7.618   4.385  -4.998
  352    HD1  TYR  47           HD2      TYR  47  -6.852   4.564  -0.931
  353    HD2  TYR  47           HD1      TYR  47  -9.965   3.028  -3.468
  354    HE1  TYR  47           HE2      TYR  47  -6.972   2.507   0.474
  355    HE2  TYR  47           HE1      TYR  47 -10.113   0.976  -2.076
  356    HH   TYR  47           HH       TYR  47  -9.343  -0.105  -0.151
  357    HB2  TYR  47           2HB      TYR  47  -8.071   6.013  -2.460
  358    HB3  TYR  47           3HB      TYR  47  -9.318   5.384  -3.524
  359    H    LYS  48           H        LYS  48  -8.699   5.867  -6.323
  360    HA   LYS  48           HA       LYS  48  -7.484   8.319  -7.001
  361    HB2  LYS  48           2HB      LYS  48  -9.047   6.953  -8.398
  362    HB3  LYS  48           3HB      LYS  48 -10.402   7.527  -7.411
  363    HG2  LYS  48           2HG      LYS  48  -9.944   9.847  -8.119
  364    HG3  LYS  48           3HG      LYS  48  -8.506   9.310  -9.013
  365    HD2  LYS  48           2HD      LYS  48  -9.949   7.893 -10.460
  366    HD3  LYS  48           3HD      LYS  48 -11.386   8.468  -9.610
  367    HE2  LYS  48           2HE      LYS  48  -9.416  10.229 -11.149
  368    HE3  LYS  48           3HE      LYS  48 -10.930   9.605 -11.807
  369    HZ1  LYS  48           3HZ      LYS  48 -12.123  10.856 -10.105
  370    HZ2  LYS  48           1HZ      LYS  48 -10.723  11.464  -9.510
  371    HZ3  LYS  48           2HZ      LYS  48 -11.208  11.847 -11.015
  372    H    TRP  49           H        TRP  49  -9.988   7.686  -4.496
  373    HA   TRP  49           HA       TRP  49 -10.580  10.448  -4.099
  374    HD1  TRP  49           HD1      TRP  49 -12.622   6.565  -3.238
  375    HE1  TRP  49           HE1      TRP  49 -12.011   4.586  -1.756
  376    HE3  TRP  49           HE3      TRP  49  -9.099   8.822  -0.277
  377    HZ2  TRP  49           HZ2      TRP  49 -10.192   4.029   0.446
  378    HZ3  TRP  49           HZ3      TRP  49  -7.856   7.517   1.392
  379    HH2  TRP  49           HH2      TRP  49  -8.357   5.094   1.745
  380    HB2  TRP  49           2HB      TRP  49 -11.458   9.724  -1.872
  381    HB3  TRP  49           3HB      TRP  49 -12.182   9.026  -3.295
  382    H    ALA  50           H        ALA  50  -7.782   8.548  -3.042
  383    HA   ALA  50           HA       ALA  50  -7.001  10.618  -1.117
  384    HB1  ALA  50           3HB      ALA  50  -6.513   8.369  -0.502
  385    HB2  ALA  50           1HB      ALA  50  -5.585   8.094  -2.006
  386    HB3  ALA  50           2HB      ALA  50  -5.018   9.266  -0.784
  387    H    GLU  51           H        GLU  51  -7.219  12.247  -2.888
  388    HA   GLU  51           HA       GLU  51  -5.339  12.357  -5.037
  389    HB2  GLU  51           2HB      GLU  51  -6.804  14.601  -3.565
  390    HB3  GLU  51           3HB      GLU  51  -5.945  14.781  -5.101
  391    HG2  GLU  51           2HG      GLU  51  -7.469  13.069  -6.115
  392    HG3  GLU  51           3HG      GLU  51  -8.382  13.026  -4.601
  393    H    TYR  52           H        TYR  52  -4.715  12.519  -1.714
  394    HA   TYR  52           HA       TYR  52  -2.038  13.626  -2.118
  395    HD1  TYR  52           HD1      TYR  52  -5.164  15.625  -1.965
  396    HD2  TYR  52           HD2      TYR  52  -3.991  14.409   1.987
  397    HE1  TYR  52           HE1      TYR  52  -7.461  16.132  -1.147
  398    HE2  TYR  52           HE2      TYR  52  -6.263  14.929   2.838
  399    HH   TYR  52           HH       TYR  52  -8.879  16.179   0.705
  400    HB2  TYR  52           2HB      TYR  52  -2.346  14.668   0.252
  401    HB3  TYR  52           3HB      TYR  52  -2.764  15.547  -1.201
  402    H    HIS  53           H        HIS  53  -0.531  12.662  -0.444
  403    HA   HIS  53           HA       HIS  53  -1.292   9.829  -0.249
  404    HD2  HIS  53           HD2      HIS  53   0.570   8.232  -1.780
  405    HE1  HIS  53           HE1      HIS  53   2.468  11.127  -4.256
  406    HE2  HIS  53           HE2      HIS  53   1.588   8.727  -4.133
  407    HB2  HIS  53           2HB      HIS  53   1.270  11.332   0.453
  408    HB3  HIS  53           3HB      HIS  53   1.054   9.600   0.582
  409    H    ALA  54           H        ALA  54  -0.760  12.658   1.843
  410    HA   ALA  54           HA       ALA  54  -0.976  11.402   4.351
  411    HB1  ALA  54           3HB      ALA  54  -0.496  13.813   4.053
  412    HB2  ALA  54           1HB      ALA  54  -2.168  14.080   3.507
  413    HB3  ALA  54           2HB      ALA  54  -1.850  13.556   5.171
  414    H    ASP  55           H        ASP  55  -3.571  11.745   1.920
  415    HA   ASP  55           HA       ASP  55  -5.715  11.605   3.830
  416    HB2  ASP  55           2HB      ASP  55  -5.858  12.317   1.324
  417    HB3  ASP  55           3HB      ASP  55  -5.881  10.615   0.967
  418    H    ILE  56           H        ILE  56  -4.102   9.138   1.767
  419    HA   ILE  56           HA       ILE  56  -5.610   6.956   2.903
  420    HB   ILE  56           HB       ILE  56  -3.405   5.693   1.974
  421   HG12  ILE  56          2HG1      ILE  56  -3.385   8.279   0.421
  422   HG13  ILE  56          3HG1      ILE  56  -2.069   7.337   1.112
  423   HG21  ILE  56          1HG2      ILE  56  -5.781   6.461   0.293
  424   HG22  ILE  56          2HG2      ILE  56  -4.739   5.029   0.115
  425   HG23  ILE  56          3HG2      ILE  56  -5.738   5.203   1.545
  426   HD11  ILE  56          3HD1      ILE  56  -2.498   5.609  -0.677
  427   HD12  ILE  56          1HD1      ILE  56  -3.748   6.665  -1.363
  428   HD13  ILE  56          2HD1      ILE  56  -2.060   7.204  -1.325
  429    H    TYR  57           H        TYR  57  -2.394   8.465   3.677
  430    HA   TYR  57           HA       TYR  57  -1.774   6.396   5.519
  431    HD1  TYR  57           HD2      TYR  57   0.104   5.738   6.464
  432    HD2  TYR  57           HD1      TYR  57   0.304   9.903   7.576
  433    HE1  TYR  57           HE2      TYR  57   1.374   5.125   8.485
  434    HE2  TYR  57           HE1      TYR  57   1.607   9.303   9.587
  435    HH   TYR  57           HH       TYR  57   2.576   7.571  10.825
  436    HB2  TYR  57           2HB      TYR  57  -0.088   8.012   4.746
  437    HB3  TYR  57           3HB      TYR  57  -0.904   9.302   5.632
  438    H    ASP  58           H        ASP  58  -3.568   9.504   6.057
  439    HA   ASP  58           HA       ASP  58  -3.954   9.111   8.833
  440    HB2  ASP  58           2HB      ASP  58  -4.362  11.257   7.760
  441    HB3  ASP  58           3HB      ASP  58  -5.672  10.568   6.793
  442    H    LYS  59           H        LYS  59  -6.051   8.173   6.048
  443    HA   LYS  59           HA       LYS  59  -8.151   7.027   7.604
  444    HB2  LYS  59           2HB      LYS  59  -8.448   7.677   5.326
  445    HB3  LYS  59           3HB      LYS  59  -7.185   6.594   4.747
  446    HG2  LYS  59           2HG      LYS  59  -8.509   4.734   4.781
  447    HG3  LYS  59           3HG      LYS  59  -9.441   5.261   6.202
  448    HD2  LYS  59           2HD      LYS  59 -10.713   6.840   4.908
  449    HD3  LYS  59           3HD      LYS  59  -9.712   6.566   3.472
  450    HE2  LYS  59           2HE      LYS  59 -10.466   4.175   3.432
  451    HE3  LYS  59           3HE      LYS  59 -11.511   4.499   4.822
  452    HZ1  LYS  59           3HZ      LYS  59 -12.721   6.097   3.451
  453    HZ2  LYS  59           1HZ      LYS  59 -11.746   5.800   2.168
  454    HZ3  LYS  59           2HZ      LYS  59 -12.731   4.631   2.743
  455    H    VAL  60           H        VAL  60  -5.345   5.415   5.996
  456    HA   VAL  60           HA       VAL  60  -6.212   2.833   6.903
  457    HB   VAL  60           HB       VAL  60  -3.597   3.785   5.666
  458   HG11  VAL  60          1HG1      VAL  60  -4.661   0.945   6.049
  459   HG12  VAL  60          2HG1      VAL  60  -3.234   1.398   5.083
  460   HG13  VAL  60          3HG1      VAL  60  -3.230   1.648   6.825
  461   HG21  VAL  60          3HG2      VAL  60  -5.948   2.332   4.364
  462   HG22  VAL  60          1HG2      VAL  60  -5.698   4.078   4.249
  463   HG23  VAL  60          2HG2      VAL  60  -4.493   3.002   3.574
  464    H    SER  61           H        SER  61  -3.527   5.072   8.012
  465    HA   SER  61           HA       SER  61  -2.678   3.252  10.045
  466    HG   SER  61           HG       SER  61  -0.333   5.553  11.024
  467    HB2  SER  61           2HB      SER  61  -1.391   5.223   9.091
  468    HB3  SER  61           3HB      SER  61  -2.382   6.273  10.127
  469    H    GLY  62           H        GLY  62  -5.226   5.812   9.947
  470    HA2  GLY  62           2HA      GLY  62  -5.952   5.775  12.675
  471    HA3  GLY  62           1HA      GLY  62  -7.020   6.119  11.299
  472    H    ASP  63           H        ASP  63  -7.170   3.709   9.919
  473    HA   ASP  63           HA       ASP  63  -8.901   2.162  11.548
  474    HB2  ASP  63           2HB      ASP  63  -9.039   2.228   9.086
  475    HB3  ASP  63           3HB      ASP  63  -7.531   1.312   8.981
  476    H    MET  64           H        MET  64  -5.479   1.592  10.606
  477    HA   MET  64           HA       MET  64  -5.179  -0.926  11.910
  478    HB2  MET  64           2HB      MET  64  -3.145   1.306  11.472
  479    HB3  MET  64           3HB      MET  64  -2.756  -0.320  11.979
  480    HG2  MET  64           2HG      MET  64  -4.027   0.354   9.312
  481    HG3  MET  64           3HG      MET  64  -2.340  -0.003   9.585
  482    HE1  MET  64           3HE      MET  64  -5.982  -1.377   9.790
  483    HE2  MET  64           1HE      MET  64  -5.331  -1.254   8.128
  484    HE3  MET  64           2HE      MET  64  -5.720  -2.848   8.829
  485    H    GLN  65           H        GLN  65  -4.632   2.421  13.164
  486    HA   GLN  65           HA       GLN  65  -3.890   1.582  15.769
  487    HB2  GLN  65           2HB      GLN  65  -4.925   4.160  14.565
  488    HB3  GLN  65           3HB      GLN  65  -4.545   4.023  16.288
  489    HG2  GLN  65           2HG      GLN  65  -2.221   3.442  15.795
  490    HG3  GLN  65           3HG      GLN  65  -2.538   3.369  14.069
  491   HE21  GLN  65          2HE2      GLN  65  -1.920   5.222  12.938
  492   HE22  GLN  65          1HE2      GLN  65  -1.840   6.817  13.645
  493    H    LYS  66           H        LYS  66  -7.129   2.206  14.328
  494    HA   LYS  66           HA       LYS  66  -8.538   1.831  16.827
  495    HB2  LYS  66           2HB      LYS  66  -9.383   1.645  13.915
  496    HB3  LYS  66           3HB      LYS  66 -10.487   1.292  15.250
  497    HG2  LYS  66           2HG      LYS  66 -10.137   3.509  16.216
  498    HG3  LYS  66           3HG      LYS  66  -8.980   3.934  14.961
  499    HD2  LYS  66           2HD      LYS  66 -11.918   3.281  14.473
  500    HD3  LYS  66           3HD      LYS  66 -11.250   4.909  14.648
  501    HE2  LYS  66           2HE      LYS  66  -9.777   4.514  12.661
  502    HE3  LYS  66           3HE      LYS  66 -10.514   2.918  12.459
  503    HZ1  LYS  66           3HZ      LYS  66 -12.649   4.018  12.107
  504    HZ2  LYS  66           1HZ      LYS  66 -11.972   5.492  12.295
  505    HZ3  LYS  66           2HZ      LYS  66 -11.556   4.559  11.027
  506    H    GLN  67           H        GLN  67  -7.369  -0.506  14.310
  507    HA   GLN  67           HA       GLN  67  -8.426  -2.793  15.744
  508    HB2  GLN  67           2HB      GLN  67  -6.126  -2.602  13.750
  509    HB3  GLN  67           3HB      GLN  67  -6.789  -4.091  14.415
  510    HG2  GLN  67           2HG      GLN  67  -9.037  -3.479  13.467
  511    HG3  GLN  67           3HG      GLN  67  -8.302  -2.068  12.714
  512   HE21  GLN  67          2HE2      GLN  67  -8.139  -2.480  10.477
  513   HE22  GLN  67          1HE2      GLN  67  -7.598  -4.018   9.837
  514    H    GLY  68           H        GLY  68  -5.810  -0.631  16.411
  515    HA2  GLY  68           2HA      GLY  68  -4.961  -0.580  18.661
  516    HA3  GLY  68           1HA      GLY  68  -4.863  -2.344  18.657
  517    H    CYS  69           H        CYS  69  -3.929  -1.919  15.682
  518    HA   CYS  69           HA       CYS  69  -1.245  -2.606  16.051
  519    HG   CYS  69           HG       CYS  69  -3.024  -3.924  12.721
  520    HB2  CYS  69           2HB      CYS  69  -2.772  -1.511  13.668
  521    HB3  CYS  69           3HB      CYS  69  -1.184  -2.254  13.556
  522    H    ASP  70           H        ASP  70   0.638  -1.510  15.062
  523    HA   ASP  70           HA       ASP  70   0.644   1.459  15.343
  524    HB2  ASP  70           2HB      ASP  70   1.736   0.467  17.300
  525    HB3  ASP  70           3HB      ASP  70   2.722  -0.567  16.262
  526    H    CYS  71           H        CYS  71   1.728   2.482  13.625
  527    HA   CYS  71           HA       CYS  71   2.777   0.759  11.450
  528    HG   CYS  71           HG       CYS  71  -1.086   0.991  10.370
  529    HB2  CYS  71           2HB      CYS  71   0.522   2.818  11.250
  530    HB3  CYS  71           3HB      CYS  71   1.236   1.958   9.887
  531    H    GLU  72           H        GLU  72   3.727   2.003   9.622
  532    HA   GLU  72           HA       GLU  72   4.141   4.881   9.969
  533    HB2  GLU  72           2HB      GLU  72   6.057   3.947  11.169
  534    HB3  GLU  72           3HB      GLU  72   6.398   2.815   9.848
  535    HG2  GLU  72           2HG      GLU  72   7.008   4.602   8.365
  536    HG3  GLU  72           3HG      GLU  72   6.419   5.832   9.490
  537    H    CYS  73           H        CYS  73   3.953   5.804   7.882
  538    HA   CYS  73           HA       CYS  73   3.746   4.083   5.531
  539    HG   CYS  73           HG       CYS  73   3.033   8.529   5.590
  540    HB2  CYS  73           2HB      CYS  73   3.769   6.355   4.327
  541    HB3  CYS  73           3HB      CYS  73   2.382   6.001   5.339
  542    H    LEU  74           H        LEU  74   5.495   3.205   4.607
  543    HA   LEU  74           HA       LEU  74   8.210   4.071   5.200
  544    HG   LEU  74           HG       LEU  74   6.711   1.190   5.277
  545    HB2  LEU  74           2HB      LEU  74   7.127   2.170   3.073
  546    HB3  LEU  74           3HB      LEU  74   8.825   2.416   3.461
  547   HD11  LEU  74          1HD1      LEU  74   9.236   0.004   4.045
  548   HD12  LEU  74          2HD1      LEU  74   8.060  -0.843   5.076
  549   HD13  LEU  74          3HD1      LEU  74   7.582  -0.280   3.473
  550   HD21  LEU  74          3HD2      LEU  74   9.638   1.806   5.877
  551   HD22  LEU  74          1HD2      LEU  74   8.209   2.437   6.731
  552   HD23  LEU  74          2HD2      LEU  74   8.618   0.729   6.851
  553    H    GLY  75           H        GLY  75   5.760   4.792   2.744
  554    HA2  GLY  75           2HA      GLY  75   6.659   7.313   2.222
  555    HA3  GLY  75           1HA      GLY  75   7.477   6.335   0.998
  556    H    GLY  76           H        GLY  76   6.019   7.852  -0.327
  557    HA2  GLY  76           2HA      GLY  76   3.424   6.480  -0.888
  558    HA3  GLY  76           1HA      GLY  76   3.604   8.234  -0.969
  559    H    GLY  77           H        GLY  77   2.724   6.762  -3.118
  560    HA2  GLY  77           2HA      GLY  77   4.560   7.501  -5.220
  561    HA3  GLY  77           1HA      GLY  77   4.430   5.748  -4.995
  562    H    ARG  78           H        ARG  78   3.420   5.869  -7.244
  563    HA   ARG  78           HA       ARG  78   0.498   6.236  -7.054
  564    HE   ARG  78           HE       ARG  78   0.532   7.686 -11.811
  565    HB2  ARG  78           2HB      ARG  78   1.716   8.383  -7.814
  566    HB3  ARG  78           3HB      ARG  78   2.240   7.464  -9.233
  567    HG2  ARG  78           2HG      ARG  78  -0.322   7.120  -9.673
  568    HG3  ARG  78           3HG      ARG  78  -0.550   8.351  -8.420
  569    HD2  ARG  78           2HD      ARG  78  -0.581   9.506 -10.493
  570    HD3  ARG  78           3HD      ARG  78   0.993   9.856  -9.776
  571   HH11  ARG  78          1HH1      ARG  78   2.542  10.434 -10.775
  572   HH12  ARG  78          2HH1      ARG  78   3.763  10.143 -11.966
  573   HH21  ARG  78          1HH2      ARG  78   1.941   7.432 -13.430
  574   HH22  ARG  78          2HH2      ARG  78   3.399   8.385 -13.570
  575    H    ILE  79           H        ILE  79  -0.582   5.185  -8.857
  576    HA   ILE  79           HA       ILE  79   1.001   2.962 -10.043
  577    HB   ILE  79           HB       ILE  79  -1.860   2.928  -8.975
  578   HG12  ILE  79          2HG1      ILE  79   0.682   1.641  -7.868
  579   HG13  ILE  79          3HG1      ILE  79  -0.216   2.962  -7.131
  580   HG21  ILE  79          1HG2      ILE  79  -0.154   0.661 -10.089
  581   HG22  ILE  79          2HG2      ILE  79  -1.836   0.535  -9.527
  582   HG23  ILE  79          3HG2      ILE  79  -1.474   1.461 -10.973
  583   HD11  ILE  79          3HD1      ILE  79  -2.185   1.435  -6.838
  584   HD12  ILE  79          1HD1      ILE  79  -1.162   0.089  -7.400
  585   HD13  ILE  79          2HD1      ILE  79  -0.737   0.967  -5.928
  586    H    SER  80           H        SER  80   0.823   2.880 -12.219
  587    HA   SER  80           HA       SER  80  -1.395   4.072 -13.731
  588    HG   SER  80           HG       SER  80  -0.528   6.702 -13.542
  589    HB2  SER  80           2HB      SER  80   1.517   4.898 -14.180
  590    HB3  SER  80           3HB      SER  80   0.114   5.419 -15.125
  591    H    HIS  81           H        HIS  81  -0.720   3.608 -16.242
  592    HA   HIS  81           HA       HIS  81   0.406   0.863 -16.427
  593    HD1  HIS  81           HD1      HIS  81  -1.707  -0.823 -17.473
  594    HD2  HIS  81           HD2      HIS  81  -3.166   3.089 -18.082
  595    HE1  HIS  81           HE1      HIS  81  -4.224  -0.935 -17.153
  596    HB2  HIS  81           2HB      HIS  81  -0.616   2.776 -18.574
  597    HB3  HIS  81           3HB      HIS  81  -0.082   1.120 -18.836
  598    H    GLN  82           H        GLN  82   2.466   0.528 -17.574
  599    HA   GLN  82           HA       GLN  82   4.399   2.467 -16.917
  600    HB2  GLN  82           2HB      GLN  82   5.994   1.122 -18.177
  601    HB3  GLN  82           3HB      GLN  82   5.009   0.131 -17.111
  602    HG2  GLN  82           2HG      GLN  82   3.865  -0.897 -18.891
  603    HG3  GLN  82           3HG      GLN  82   4.196   0.392 -20.015
  604   HE21  GLN  82          2HE2      GLN  82   5.913   0.291 -21.352
  605   HE22  GLN  82          1HE2      GLN  82   7.198  -0.903 -21.255
  606    H    SER  83           H        SER  83   2.673   2.039 -19.987
  607    HA   SER  83           HA       SER  83   3.437   4.582 -21.082
  608    HG   SER  83           HG       SER  83   5.467   1.615 -22.993
  609    HB2  SER  83           2HB      SER  83   4.777   3.679 -22.954
  610    HB3  SER  83           3HB      SER  83   5.593   3.421 -21.423
  611    H    GLN  84           H        GLN  84   3.072   3.332 -23.859
  612    HA   GLN  84           HA       GLN  84   0.202   3.026 -23.874
  613    HB2  GLN  84           2HB      GLN  84   0.384   2.629 -26.184
  614    HB3  GLN  84           3HB      GLN  84   1.533   3.897 -25.810
  615    HG2  GLN  84           2HG      GLN  84   2.177   0.957 -26.340
  616    HG3  GLN  84           3HG      GLN  84   2.379   2.275 -27.476
  617   HE21  GLN  84          2HE2      GLN  84   4.407   0.351 -26.354
  618   HE22  GLN  84          1HE2      GLN  84   5.657   1.370 -25.690
  619    H    ASP  85           H        ASP  85   2.845   0.887 -23.109
  620    HA   ASP  85           HA       ASP  85   1.348  -1.605 -23.552
  621    HB2  ASP  85           2HB      ASP  85   3.781  -1.698 -23.683
  622    HB3  ASP  85           3HB      ASP  85   3.930  -0.970 -22.079
  623    H    LYS  86           H        LYS  86   0.151  -2.644 -21.985
  624    HA   LYS  86           HA       LYS  86  -0.897  -0.866 -19.949
  625    HB2  LYS  86           2HB      LYS  86  -1.700  -3.583 -21.033
  626    HB3  LYS  86           3HB      LYS  86  -2.449  -2.949 -19.578
  627    HG2  LYS  86           2HG      LYS  86  -3.829  -2.459 -21.508
  628    HG3  LYS  86           3HG      LYS  86  -3.272  -0.978 -20.724
  629    HD2  LYS  86           2HD      LYS  86  -1.598  -0.633 -22.458
  630    HD3  LYS  86           3HD      LYS  86  -2.020  -2.183 -23.229
  631    HE2  LYS  86           2HE      LYS  86  -4.303  -1.255 -23.683
  632    HE3  LYS  86           3HE      LYS  86  -3.808   0.267 -22.923
  633    HZ1  LYS  86           3HZ      LYS  86  -1.987   0.336 -24.630
  634    HZ2  LYS  86           1HZ      LYS  86  -2.706  -0.912 -25.400
  635    HZ3  LYS  86           2HZ      LYS  86  -3.504   0.501 -25.252
  636    H    LYS  87           H        LYS  87   1.724  -3.009 -19.715
  637    HA   LYS  87           HA       LYS  87   1.319  -4.335 -17.267
  638    HB2  LYS  87           2HB      LYS  87   3.259  -4.588 -18.782
  639    HB3  LYS  87           3HB      LYS  87   3.860  -2.990 -18.266
  640    HG2  LYS  87           2HG      LYS  87   4.020  -3.911 -15.929
  641    HG3  LYS  87           3HG      LYS  87   3.594  -5.488 -16.600
  642    HD2  LYS  87           2HD      LYS  87   6.075  -3.812 -17.142
  643    HD3  LYS  87           3HD      LYS  87   5.968  -5.391 -16.390
  644    HE2  LYS  87           2HE      LYS  87   6.825  -5.919 -18.443
  645    HE3  LYS  87           3HE      LYS  87   5.114  -6.267 -18.680
  646    HZ1  LYS  87           3HZ      LYS  87   4.916  -4.218 -19.959
  647    HZ2  LYS  87           1HZ      LYS  87   6.372  -3.691 -19.473
  648    HZ3  LYS  87           2HZ      LYS  87   6.261  -4.978 -20.491
  649    H    ILE  88           H        ILE  88   1.174  -3.666 -15.171
  650    HA   ILE  88           HA       ILE  88   0.668  -0.842 -14.739
  651    HB   ILE  88           HB       ILE  88   0.871  -3.197 -12.824
  652   HG12  ILE  88          2HG1      ILE  88  -0.924  -3.527 -14.434
  653   HG13  ILE  88          3HG1      ILE  88  -1.559  -3.253 -12.825
  654   HG21  ILE  88          1HG2      ILE  88  -0.202  -0.382 -12.357
  655   HG22  ILE  88          2HG2      ILE  88  -0.463  -1.755 -11.255
  656   HG23  ILE  88          3HG2      ILE  88   1.169  -1.149 -11.541
  657   HD11  ILE  88          3HD1      ILE  88  -2.176  -0.927 -13.455
  658   HD12  ILE  88          1HD1      ILE  88  -1.497  -1.194 -15.079
  659   HD13  ILE  88          2HD1      ILE  88  -2.903  -2.122 -14.539
  660    H    HIS  89           H        HIS  89   1.921   0.616 -13.526
  661    HA   HIS  89           HA       HIS  89   4.660  -0.226 -12.828
  662    HD1  HIS  89           HD1      HIS  89   6.670  -0.453 -14.461
  663    HD2  HIS  89           HD2      HIS  89   6.500   3.642 -13.484
  664    HE1  HIS  89           HE1      HIS  89   9.080   0.335 -14.228
  665    HB2  HIS  89           2HB      HIS  89   4.338   1.110 -15.074
  666    HB3  HIS  89           3HB      HIS  89   4.160   2.503 -14.006
  667    H    VAL  90           H        VAL  90   5.384   0.690 -10.948
  668    HA   VAL  90           HA       VAL  90   3.435   2.286  -9.353
  669    HB   VAL  90           HB       VAL  90   5.150  -0.103  -8.550
  670   HG11  VAL  90          1HG1      VAL  90   3.031   1.468  -6.988
  671   HG12  VAL  90          2HG1      VAL  90   3.831  -0.019  -6.428
  672   HG13  VAL  90          3HG1      VAL  90   4.777   1.448  -6.677
  673   HG21  VAL  90          3HG2      VAL  90   2.130   0.072  -8.991
  674   HG22  VAL  90          1HG2      VAL  90   3.287  -0.877  -9.946
  675   HG23  VAL  90          2HG2      VAL  90   2.984  -1.309  -8.267
  676    H    TYR  91           H        TYR  91   4.439   4.276  -9.095
  677    HA   TYR  91           HA       TYR  91   7.076   4.448  -7.958
  678    HD1  TYR  91           HD2      TYR  91   5.050   4.565 -11.527
  679    HD2  TYR  91           HD1      TYR  91   8.373   7.270 -11.051
  680    HE1  TYR  91           HE2      TYR  91   4.155   5.975 -13.338
  681    HE2  TYR  91           HE1      TYR  91   7.487   8.700 -12.862
  682    HH   TYR  91           HH       TYR  91   5.780   8.997 -14.428
  683    HB2  TYR  91           2HB      TYR  91   8.272   5.438  -9.693
  684    HB3  TYR  91           3HB      TYR  91   7.599   3.996 -10.421
  685    H    GLY  92           H        GLY  92   7.642   6.803  -7.579
  686    HA2  GLY  92           2HA      GLY  92   6.577   9.101  -8.168
  687    HA3  GLY  92           1HA      GLY  92   5.195   8.448  -7.277
  688    H    TYR  93           H        TYR  93   5.752  10.437  -5.924
  689    HA   TYR  93           HA       TYR  93   6.988   9.412  -3.543
  690    HD1  TYR  93           HD2      TYR  93   7.519  13.634  -3.668
  691    HD2  TYR  93           HD1      TYR  93   9.185  11.132  -6.765
  692    HE1  TYR  93           HE2      TYR  93   7.686  15.601  -5.159
  693    HE2  TYR  93           HE1      TYR  93   9.390  13.098  -8.250
  694    HH   TYR  93           HH       TYR  93   9.038  15.395  -8.486
  695    HB2  TYR  93           2HB      TYR  93   8.492  11.356  -3.183
  696    HB3  TYR  93           3HB      TYR  93   9.012  10.329  -4.496
  697    H    SER  94           H        SER  94   6.403  10.538  -1.710
  698    HA   SER  94           HA       SER  94   4.152  12.469  -1.908
  699    HG   SER  94           HG       SER  94   3.627  12.803   0.732
  700    HB2  SER  94           2HB      SER  94   3.658  10.735  -0.361
  701    HB3  SER  94           3HB      SER  94   5.331  10.602   0.170
  702    H    MET  95           H        MET  95   4.486  14.455  -0.401
  703    HA   MET  95           HA       MET  95   7.378  15.269  -0.456
  704    HB2  MET  95           2HB      MET  95   6.711  17.526  -0.157
  705    HB3  MET  95           3HB      MET  95   5.964  16.871  -1.611
  706    HG2  MET  95           2HG      MET  95   3.840  16.626  -0.474
  707    HG3  MET  95           3HG      MET  95   4.520  17.126   1.064
  708    HE1  MET  95           3HE      MET  95   5.048  19.562   1.777
  709    HE2  MET  95           1HE      MET  95   6.297  19.683   0.516
  710    HE3  MET  95           2HE      MET  95   5.074  20.958   0.679
  711    H    ALA  96           H        ALA  96   4.488  14.692   1.617
  712    HA   ALA  96           HA       ALA  96   5.888  15.588   4.013
  713    HB1  ALA  96           3HB      ALA  96   3.465  15.685   3.904
  714    HB2  ALA  96           1HB      ALA  96   3.371  13.933   3.627
  715    HB3  ALA  96           2HB      ALA  96   3.951  14.558   5.185
  716    H    TYR  97           H        TYR  97   5.638  12.522   2.275
  717    HA   TYR  97           HA       TYR  97   7.166  11.149   4.439
  718    HD1  TYR  97           HD2      TYR  97   5.357  10.570   6.344
  719    HD2  TYR  97           HD1      TYR  97   3.019  11.150   2.764
  720    HE1  TYR  97           HE2      TYR  97   3.498  11.489   7.701
  721    HE2  TYR  97           HE1      TYR  97   1.157  11.983   4.092
  722    HH   TYR  97           HH       TYR  97   0.410  12.609   6.241
  723    HB2  TYR  97           2HB      TYR  97   5.066   9.920   2.640
  724    HB3  TYR  97           3HB      TYR  97   5.778   9.238   4.091
  725    H    GLY  98           H        GLY  98   7.448  12.083   1.174
  726    HA2  GLY  98           2HA      GLY  98   9.223  11.684  -0.228
  727    HA3  GLY  98           1HA      GLY  98   9.874  10.551   0.954
  728    HA   PRO  99           HA       PRO  99   8.317   8.097  -2.745
  729    HB2  PRO  99           2HB      PRO  99  10.693   6.906  -3.419
  730    HB3  PRO  99           3HB      PRO  99  10.181   8.485  -4.065
  731    HG2  PRO  99           2HG      PRO  99  12.065   7.930  -1.766
  732    HG3  PRO  99           3HG      PRO  99  12.255   9.109  -3.100
  733    HD2  PRO  99           2HD      PRO  99  11.352   9.817  -0.616
  734    HD3  PRO  99           3HD      PRO  99  10.760  10.622  -2.099
  735    H    ALA 100           H        ALA 100   7.578   6.064  -2.427
  736    HA   ALA 100           HA       ALA 100   8.295   4.516  -0.056
  737    HB1  ALA 100           3HB      ALA 100   6.013   4.443  -1.067
  738    HB2  ALA 100           1HB      ALA 100   6.714   3.806  -2.563
  739    HB3  ALA 100           2HB      ALA 100   6.765   2.842  -1.073
  740    H    GLN 101           H        GLN 101   9.080   2.194  -0.344
  741    HA   GLN 101           HA       GLN 101  11.486   2.036  -1.938
  742    HB2  GLN 101           2HB      GLN 101   9.839  -0.104  -0.533
  743    HB3  GLN 101           3HB      GLN 101  11.420  -0.390  -1.257
  744    HG2  GLN 101           2HG      GLN 101  10.838   1.440   1.108
  745    HG3  GLN 101           3HG      GLN 101  11.593  -0.152   1.152
  746   HE21  GLN 101          2HE2      GLN 101  13.742  -0.408  -0.001
  747   HE22  GLN 101          1HE2      GLN 101  14.796   0.978  -0.088
  748    H    HIS 102           H        HIS 102   8.140   1.273  -2.564
  749    HA   HIS 102           HA       HIS 102   6.929   0.382  -4.150
  750    HD1  HIS 102           HD1      HIS 102   9.764   3.556  -5.680
  751    HD2  HIS 102           HD2      HIS 102   5.777   2.453  -5.033
  752    HE1  HIS 102           HE1      HIS 102   8.490   5.705  -5.194
  753    HB2  HIS 102           2HB      HIS 102   9.276   0.982  -5.947
  754    HB3  HIS 102           3HB      HIS 102   7.619   0.654  -6.469
  755    H    ALA 103           H        ALA 103  10.118  -1.173  -3.992
  756    HA   ALA 103           HA       ALA 103   9.617  -3.445  -5.501
  757    HB1  ALA 103           3HB      ALA 103  11.817  -2.809  -4.580
  758    HB2  ALA 103           1HB      ALA 103  11.253  -3.156  -2.930
  759    HB3  ALA 103           2HB      ALA 103  11.411  -4.473  -4.115
  760    H    ILE 104           H        ILE 104   8.752  -2.894  -2.055
  761    HA   ILE 104           HA       ILE 104   7.799  -5.554  -1.552
  762    HB   ILE 104           HB       ILE 104   7.016  -2.893  -0.278
  763   HG12  ILE 104          2HG1      ILE 104   8.275  -3.707   1.712
  764   HG13  ILE 104          3HG1      ILE 104   8.882  -5.076   0.770
  765   HG21  ILE 104          1HG2      ILE 104   6.369  -5.743   0.576
  766   HG22  ILE 104          2HG2      ILE 104   6.132  -4.311   1.597
  767   HG23  ILE 104          3HG2      ILE 104   5.217  -4.464   0.105
  768   HD11  ILE 104          3HD1      ILE 104  10.214  -3.539  -0.604
  769   HD12  ILE 104          1HD1      ILE 104   9.408  -2.141   0.169
  770   HD13  ILE 104          2HD1      ILE 104  10.490  -3.185   1.104
  771    H    SER 105           H        SER 105   6.210  -2.517  -2.708
  772    HA   SER 105           HA       SER 105   3.614  -3.464  -2.828
  773    HG   SER 105           HG       SER 105   4.701   0.051  -3.195
  774    HB2  SER 105           2HB      SER 105   4.730  -1.491  -4.820
  775    HB3  SER 105           3HB      SER 105   3.161  -1.483  -4.001
  776    H    THR 106           H        THR 106   6.186  -3.540  -5.446
  777    HA   THR 106           HA       THR 106   4.345  -4.567  -7.348
  778    HB   THR 106           HB       THR 106   6.485  -5.254  -8.574
  779    HG1  THR 106           1HG      THR 106   8.298  -5.048  -7.541
  780   HG21  THR 106          3HG2      THR 106   5.255  -3.151  -8.944
  781   HG22  THR 106          1HG2      THR 106   6.160  -2.371  -7.629
  782   HG23  THR 106          2HG2      THR 106   7.006  -2.922  -9.089
  783    H    GLU 107           H        GLU 107   6.567  -6.332  -5.079
  784    HA   GLU 107           HA       GLU 107   5.977  -8.894  -6.129
  785    HB2  GLU 107           2HB      GLU 107   6.670  -7.997  -3.302
  786    HB3  GLU 107           3HB      GLU 107   6.477  -9.693  -3.765
  787    HG2  GLU 107           2HG      GLU 107   8.235  -9.416  -5.508
  788    HG3  GLU 107           3HG      GLU 107   8.498  -7.759  -4.974
  789    H    LYS 108           H        LYS 108   4.231  -6.981  -3.634
  790    HA   LYS 108           HA       LYS 108   2.266  -9.022  -3.112
  791    HB2  LYS 108           2HB      LYS 108   2.246  -6.006  -2.657
  792    HB3  LYS 108           3HB      LYS 108   1.005  -7.123  -2.067
  793    HG2  LYS 108           2HG      LYS 108   2.577  -8.312  -0.680
  794    HG3  LYS 108           3HG      LYS 108   3.941  -7.401  -1.329
  795    HD2  LYS 108           2HD      LYS 108   3.095  -5.323  -0.405
  796    HD3  LYS 108           3HD      LYS 108   1.636  -6.112   0.214
  797    HE2  LYS 108           2HE      LYS 108   4.384  -7.134   0.992
  798    HE3  LYS 108           3HE      LYS 108   3.743  -5.688   1.783
  799    HZ1  LYS 108           3HZ      LYS 108   2.084  -6.866   2.792
  800    HZ2  LYS 108           1HZ      LYS 108   2.033  -8.065   1.697
  801    HZ3  LYS 108           2HZ      LYS 108   3.261  -8.006   2.797
  802    H    ILE 109           H        ILE 109   2.194  -6.127  -5.285
  803    HA   ILE 109           HA       ILE 109  -0.515  -6.629  -6.064
  804    HB   ILE 109           HB       ILE 109   1.620  -4.977  -7.465
  805   HG12  ILE 109          2HG1      ILE 109  -0.651  -3.917  -5.705
  806   HG13  ILE 109          3HG1      ILE 109   0.891  -4.321  -5.004
  807   HG21  ILE 109          1HG2      ILE 109  -1.432  -4.770  -7.682
  808   HG22  ILE 109          2HG2      ILE 109  -0.235  -3.847  -8.615
  809   HG23  ILE 109          3HG2      ILE 109  -0.440  -5.571  -8.894
  810   HD11  ILE 109          3HD1      ILE 109   2.041  -2.727  -6.527
  811   HD12  ILE 109          1HD1      ILE 109   0.464  -2.249  -7.198
  812   HD13  ILE 109          2HD1      ILE 109   0.831  -1.943  -5.499
  813    H    LYS 110           H        LYS 110   2.668  -7.707  -7.488
  814    HA   LYS 110           HA       LYS 110   1.544  -8.964  -9.796
  815    HB2  LYS 110           2HB      LYS 110   3.965  -9.727  -8.111
  816    HB3  LYS 110           3HB      LYS 110   3.511 -10.550  -9.606
  817    HG2  LYS 110           2HG      LYS 110   3.914  -8.620 -10.953
  818    HG3  LYS 110           3HG      LYS 110   4.213  -7.605  -9.534
  819    HD2  LYS 110           2HD      LYS 110   6.137  -9.020  -8.889
  820    HD3  LYS 110           3HD      LYS 110   5.840 -10.075 -10.288
  821    HE2  LYS 110           2HE      LYS 110   6.244  -8.139 -11.807
  822    HE3  LYS 110           3HE      LYS 110   6.564  -7.115 -10.409
  823    HZ1  LYS 110           3HZ      LYS 110   8.467  -8.545  -9.885
  824    HZ2  LYS 110           1HZ      LYS 110   8.164  -9.491 -11.184
  825    HZ3  LYS 110           2HZ      LYS 110   8.606  -7.937 -11.391
  826    H    ALA 111           H        ALA 111   1.941 -10.184  -6.408
  827    HA   ALA 111           HA       ALA 111   0.898 -12.775  -6.959
  828    HB1  ALA 111           3HB      ALA 111   2.155 -12.210  -4.903
  829    HB2  ALA 111           1HB      ALA 111   0.799 -11.201  -4.346
  830    HB3  ALA 111           2HB      ALA 111   0.584 -12.949  -4.537
  831    H    LYS 112           H        LYS 112  -0.757  -9.719  -5.989
  832    HA   LYS 112           HA       LYS 112  -3.394 -10.873  -5.911
  833    HB2  LYS 112           2HB      LYS 112  -2.401  -8.019  -6.298
  834    HB3  LYS 112           3HB      LYS 112  -4.109  -8.423  -6.180
  835    HG2  LYS 112           2HG      LYS 112  -2.084  -9.120  -4.008
  836    HG3  LYS 112           3HG      LYS 112  -3.023  -7.626  -4.054
  837    HD2  LYS 112           2HD      LYS 112  -5.122  -8.861  -3.918
  838    HD3  LYS 112           3HD      LYS 112  -4.257 -10.411  -3.981
  839    HE2  LYS 112           2HE      LYS 112  -3.078  -9.829  -1.868
  840    HE3  LYS 112           3HE      LYS 112  -4.003  -8.323  -1.779
  841    HZ1  LYS 112           3HZ      LYS 112  -6.031  -9.654  -1.629
  842    HZ2  LYS 112           1HZ      LYS 112  -5.181 -11.046  -1.731
  843    HZ3  LYS 112           2HZ      LYS 112  -5.005 -10.080  -0.435
  844    H    TYR 113           H        TYR 113  -1.391  -9.818  -8.568
  845    HA   TYR 113           HA       TYR 113  -1.618  -9.856 -10.773
  846    HD1  TYR 113           HD1      TYR 113  -0.041 -12.116 -11.593
  847    HD2  TYR 113           HD2      TYR 113  -4.187 -12.292 -12.776
  848    HE1  TYR 113           HE1      TYR 113   0.644 -12.839 -13.856
  849    HE2  TYR 113           HE2      TYR 113  -3.512 -12.998 -15.053
  850    HH   TYR 113           HH       TYR 113  -0.072 -13.495 -15.973
  851    HB2  TYR 113           2HB      TYR 113  -1.873 -12.281  -9.943
  852    HB3  TYR 113           3HB      TYR 113  -3.555 -12.155 -10.398
  853    HA   PRO 114           HA       PRO 114  -5.811  -7.716 -11.071
  854    HB2  PRO 114           2HB      PRO 114  -5.092  -5.097 -11.068
  855    HB3  PRO 114           3HB      PRO 114  -5.341  -6.009  -9.546
  856    HG2  PRO 114           2HG      PRO 114  -2.716  -5.439 -10.967
  857    HG3  PRO 114           3HG      PRO 114  -3.122  -5.198  -9.238
  858    HD2  PRO 114           2HD      PRO 114  -1.836  -7.447 -10.164
  859    HD3  PRO 114           3HD      PRO 114  -2.975  -7.490  -8.785
  860    H    ASP 115           H        ASP 115  -2.687  -7.756 -12.562
  861    HA   ASP 115           HA       ASP 115  -3.749  -7.479 -15.259
  862    HB2  ASP 115           2HB      ASP 115  -3.046  -5.144 -14.646
  863    HB3  ASP 115           3HB      ASP 115  -1.451  -5.768 -14.209
  864    H    TYR 116           H        TYR 116  -1.917  -8.210 -16.766
  865    HA   TYR 116           HA       TYR 116  -0.878 -10.683 -16.103
  866    HD1  TYR 116           HD2      TYR 116  -0.619 -12.278 -18.479
  867    HD2  TYR 116           HD1      TYR 116   2.408  -9.201 -18.398
  868    HE1  TYR 116           HE2      TYR 116   1.054 -13.906 -19.311
  869    HE2  TYR 116           HE1      TYR 116   4.086 -10.817 -19.225
  870    HH   TYR 116           HH       TYR 116   4.490 -13.014 -19.898
  871    HB2  TYR 116           2HB      TYR 116  -1.192  -9.821 -18.375
  872    HB3  TYR 116           3HB      TYR 116   0.077  -8.628 -18.128
  873    H    GLU 117           H        GLU 117   0.754  -7.451 -15.700
  874    HA   GLU 117           HA       GLU 117   2.573  -8.656 -13.799
  875    HB2  GLU 117           2HB      GLU 117   3.643  -9.343 -15.902
  876    HB3  GLU 117           3HB      GLU 117   3.695  -7.686 -16.471
  877    HG2  GLU 117           2HG      GLU 117   5.339  -7.089 -14.843
  878    HG3  GLU 117           3HG      GLU 117   5.036  -8.551 -13.878
  879    H    VAL 118           H        VAL 118   4.165  -6.961 -12.974
  880    HA   VAL 118           HA       VAL 118   3.116  -4.217 -13.014
  881    HB   VAL 118           HB       VAL 118   3.760  -5.654 -10.428
  882   HG11  VAL 118          1HG1      VAL 118   1.921  -3.287 -10.851
  883   HG12  VAL 118          2HG1      VAL 118   2.601  -3.888  -9.336
  884   HG13  VAL 118          3HG1      VAL 118   3.654  -3.128 -10.539
  885   HG21  VAL 118          3HG2      VAL 118   0.937  -5.467 -11.553
  886   HG22  VAL 118          1HG2      VAL 118   1.866  -6.966 -11.313
  887   HG23  VAL 118          2HG2      VAL 118   1.414  -6.009  -9.924
  888    H    THR 119           H        THR 119   4.938  -2.759 -12.736
  889    HA   THR 119           HA       THR 119   7.523  -3.894 -11.803
  890    HB   THR 119           HB       THR 119   8.536  -2.412 -13.684
  891    HG1  THR 119           1HG      THR 119   7.122  -2.393 -15.554
  892   HG21  THR 119          3HG2      THR 119   8.691  -4.857 -13.706
  893   HG22  THR 119          1HG2      THR 119   7.081  -4.976 -14.439
  894   HG23  THR 119          2HG2      THR 119   8.419  -4.226 -15.337
  895    H    TRP 120           H        TRP 120   9.135  -1.997 -11.426
  896    HA   TRP 120           HA       TRP 120   7.848   0.558 -10.827
  897    HD1  TRP 120           HD1      TRP 120   9.316  -2.960  -8.511
  898    HE1  TRP 120           HE1      TRP 120  11.594  -3.427  -7.473
  899    HE3  TRP 120           HE3      TRP 120  11.053   1.892  -8.127
  900    HZ2  TRP 120           HZ2      TRP 120  13.877  -1.911  -6.547
  901    HZ3  TRP 120           HZ3      TRP 120  13.277   2.303  -7.149
  902    HH2  TRP 120           HH2      TRP 120  14.697   0.435  -6.360
  903    HB2  TRP 120           2HB      TRP 120   8.779   0.824  -8.679
  904    HB3  TRP 120           3HB      TRP 120   7.817  -0.645  -8.631
  905    H    ALA 121           H        ALA 121   9.521   2.218 -10.647
  906    HA   ALA 121           HA       ALA 121  12.323   1.642 -10.920
  907    HB1  ALA 121           3HB      ALA 121  11.661   1.594 -13.349
  908    HB2  ALA 121           1HB      ALA 121  10.870   3.173 -13.152
  909    HB3  ALA 121           2HB      ALA 121  12.630   3.032 -12.964
  910    H    ASN 122           H        ASN 122  13.371   3.524  -9.971
  911    HA   ASN 122           HA       ASN 122  11.510   5.395  -8.710
  912    HB2  ASN 122           2HB      ASN 122  13.363   4.507  -7.392
  913    HB3  ASN 122           3HB      ASN 122  14.535   5.220  -8.511
  914   HD21  ASN 122          2HD2      ASN 122  15.494   6.775  -7.106
  915   HD22  ASN 122          1HD2      ASN 122  14.589   8.057  -6.346
  916    H    ASP 123           H        ASP 123  11.154   5.719 -11.318
  917    HA   ASP 123           HA       ASP 123  13.068   7.173 -12.830
  918    HB2  ASP 123           2HB      ASP 123  11.348   5.749 -13.824
  919    HB3  ASP 123           3HB      ASP 123  10.075   6.801 -13.198
  920    H    GLY 124           H        GLY 124  10.389   8.305 -10.796
  921    HA2  GLY 124           2HA      GLY 124  11.103  10.960 -10.465
  922    HA3  GLY 124           1HA      GLY 124  10.212  10.906 -12.000
  923    H    TYR 125           H        TYR 125   8.612  12.245 -10.900
  924    HA   TYR 125           HA       TYR 125   7.007  11.318  -8.722
  925    HD1  TYR 125           HD2      TYR 125   5.668  13.131  -7.312
  926    HD2  TYR 125           HD1      TYR 125   4.026  13.214 -11.308
  927    HE1  TYR 125           HE2      TYR 125   3.401  13.463  -6.373
  928    HE2  TYR 125           HE1      TYR 125   1.762  13.562 -10.378
  929    HH   TYR 125           HH       TYR 125   0.499  13.870  -8.466
  930    HB2  TYR 125           2HB      TYR 125   7.065  13.662  -9.457
  931    HB3  TYR 125           3HB      TYR 125   6.380  13.220 -11.013
  Start of MODEL    7
    1    HA   MET   1           HA       MET   1 -15.105  -8.587  21.151
    2    H1   MET   1           H1       MET   1 -16.424 -11.133  21.767
    3    H2   MET   1           H2       MET   1 -16.936  -9.992  20.720
    4    H3   MET   1           H3       MET   1 -16.943  -9.678  22.326
    5    HB2  MET   1           2HB      MET   1 -14.346 -10.685  23.236
    6    HB3  MET   1           3HB      MET   1 -13.240  -9.452  22.624
    7    HG2  MET   1           2HG      MET   1 -14.770  -7.667  23.397
    8    HG3  MET   1           3HG      MET   1 -15.850  -8.890  24.078
    9    HE1  MET   1           3HE      MET   1 -14.725  -6.393  25.691
   10    HE2  MET   1           1HE      MET   1 -15.822  -7.611  26.383
   11    HE3  MET   1           2HE      MET   1 -14.336  -7.160  27.246
   12    H    ALA   2           H        ALA   2 -13.195  -8.776  19.887
   13    HA   ALA   2           HA       ALA   2 -12.278 -11.369  18.937
   14    HB1  ALA   2           3HB      ALA   2 -14.142 -10.891  17.350
   15    HB2  ALA   2           1HB      ALA   2 -13.435  -9.295  17.003
   16    HB3  ALA   2           2HB      ALA   2 -12.570 -10.776  16.545
   17    H    VAL   3           H        VAL   3 -10.328 -10.934  17.442
   18    HA   VAL   3           HA       VAL   3  -9.039  -8.335  17.761
   19    HB   VAL   3           HB       VAL   3  -8.483  -9.504  19.845
   20   HG11  VAL   3          1HG1      VAL   3  -7.183 -11.686  18.171
   21   HG12  VAL   3          2HG1      VAL   3  -7.109 -11.518  19.935
   22   HG13  VAL   3          3HG1      VAL   3  -8.654 -11.864  19.153
   23   HG21  VAL   3          3HG2      VAL   3  -6.035  -9.403  18.058
   24   HG22  VAL   3          1HG2      VAL   3  -6.817  -7.994  18.812
   25   HG23  VAL   3          2HG2      VAL   3  -6.092  -9.249  19.822
   26    H    ALA   4           H        ALA   4  -7.491  -8.006  16.099
   27    HA   ALA   4           HA       ALA   4  -7.785  -9.784  13.778
   28    HB1  ALA   4           3HB      ALA   4  -7.913  -7.304  13.565
   29    HB2  ALA   4           1HB      ALA   4  -6.225  -7.182  14.108
   30    HB3  ALA   4           2HB      ALA   4  -6.617  -7.999  12.585
   31    H    ASP   5           H        ASP   5  -5.470  -9.793  12.492
   32    HA   ASP   5           HA       ASP   5  -3.128 -10.216  14.128
   33    HB2  ASP   5           2HB      ASP   5  -4.102 -12.496  14.239
   34    HB3  ASP   5           3HB      ASP   5  -4.279 -12.519  12.484
   35    H    LEU   6           H        LEU   6  -1.230 -10.078  12.681
   36    HA   LEU   6           HA       LEU   6  -1.580  -8.268  10.571
   37    HG   LEU   6           HG       LEU   6   0.401  -8.520  12.988
   38    HB2  LEU   6           2HB      LEU   6   0.723 -10.170  11.176
   39    HB3  LEU   6           3HB      LEU   6   0.788  -8.873   9.998
   40   HD11  LEU   6          1HD1      LEU   6   2.765  -7.872  11.178
   41   HD12  LEU   6          2HD1      LEU   6   2.673  -7.543  12.914
   42   HD13  LEU   6          3HD1      LEU   6   2.683  -9.212  12.338
   43   HD21  LEU   6          3HD2      LEU   6   0.534  -6.453  10.763
   44   HD22  LEU   6          1HD2      LEU   6  -0.763  -6.702  11.956
   45   HD23  LEU   6          2HD2      LEU   6   0.793  -6.070  12.471
   46    H    ALA   7           H        ALA   7  -1.495 -11.850  10.434
   47    HA   ALA   7           HA       ALA   7  -1.147 -11.978   7.608
   48    HB1  ALA   7           3HB      ALA   7  -0.660 -13.863   9.136
   49    HB2  ALA   7           1HB      ALA   7  -2.396 -14.001   9.512
   50    HB3  ALA   7           2HB      ALA   7  -1.811 -14.328   7.869
   51    H    LEU   8           H        LEU   8  -3.937 -11.281   9.626
   52    HA   LEU   8           HA       LEU   8  -5.906 -12.102   7.598
   53    HG   LEU   8           HG       LEU   8  -5.514 -13.032  10.565
   54    HB2  LEU   8           2HB      LEU   8  -6.238 -10.647  10.254
   55    HB3  LEU   8           3HB      LEU   8  -7.550 -11.200   9.228
   56   HD11  LEU   8          1HD1      LEU   8  -8.428 -12.471  11.259
   57   HD12  LEU   8          2HD1      LEU   8  -7.373 -13.665  12.048
   58   HD13  LEU   8          3HD1      LEU   8  -7.010 -11.942  12.189
   59   HD21  LEU   8          3HD2      LEU   8  -8.040 -13.681   8.984
   60   HD22  LEU   8          1HD2      LEU   8  -6.368 -14.072   8.521
   61   HD23  LEU   8          2HD2      LEU   8  -7.091 -14.850   9.928
   62    H    ILE   9           H        ILE   9  -4.094  -9.204   8.423
   63    HA   ILE   9           HA       ILE   9  -5.964  -7.296   7.402
   64    HB   ILE   9           HB       ILE   9  -2.939  -7.058   7.394
   65   HG12  ILE   9          2HG1      ILE   9  -4.864  -6.150   9.593
   66   HG13  ILE   9          3HG1      ILE   9  -3.876  -7.612   9.699
   67   HG21  ILE   9          1HG2      ILE   9  -5.117  -4.921   7.452
   68   HG22  ILE   9          2HG2      ILE   9  -3.367  -4.628   7.423
   69   HG23  ILE   9          3HG2      ILE   9  -4.149  -5.361   6.032
   70   HD11  ILE   9          3HD1      ILE   9  -1.813  -6.232   9.491
   71   HD12  ILE   9          1HD1      ILE   9  -2.824  -4.777   9.582
   72   HD13  ILE   9          2HD1      ILE   9  -2.785  -5.901  10.943
   73    HA   PRO  10           HA       PRO  10  -5.676  -8.461   2.999
   74    HB2  PRO  10           2HB      PRO  10  -6.311  -5.505   2.814
   75    HB3  PRO  10           3HB      PRO  10  -6.963  -6.851   1.822
   76    HG2  PRO  10           2HG      PRO  10  -8.432  -5.842   3.854
   77    HG3  PRO  10           3HG      PRO  10  -8.302  -7.624   3.668
   78    HD2  PRO  10           2HD      PRO  10  -6.786  -5.813   5.561
   79    HD3  PRO  10           3HD      PRO  10  -7.537  -7.407   5.873
   80    H    ASP  11           H        ASP  11  -3.761  -8.605   1.912
   81    HA   ASP  11           HA       ASP  11  -1.530  -7.020   2.786
   82    HB2  ASP  11           2HB      ASP  11  -1.636  -9.494   2.006
   83    HB3  ASP  11           3HB      ASP  11  -1.520  -8.846   0.365
   84    H    VAL  12           H        VAL  12  -3.560  -7.033  -0.127
   85    HA   VAL  12           HA       VAL  12  -2.534  -4.368  -0.906
   86    HB   VAL  12           HB       VAL  12  -2.892  -6.717  -2.804
   87   HG11  VAL  12          1HG1      VAL  12  -1.977  -3.861  -3.372
   88   HG12  VAL  12          2HG1      VAL  12  -2.023  -5.196  -4.545
   89   HG13  VAL  12          3HG1      VAL  12  -3.525  -4.584  -3.862
   90   HG21  VAL  12          3HG2      VAL  12  -0.341  -5.326  -1.928
   91   HG22  VAL  12          1HG2      VAL  12  -0.791  -7.024  -1.651
   92   HG23  VAL  12          2HG2      VAL  12  -0.476  -6.461  -3.289
   93    H    ASP  13           H        ASP  13  -4.259  -3.054  -1.385
   94    HA   ASP  13           HA       ASP  13  -6.667  -4.051  -2.608
   95    HB2  ASP  13           2HB      ASP  13  -7.431  -4.412  -0.320
   96    HB3  ASP  13           3HB      ASP  13  -6.835  -2.830   0.182
   97    H    ILE  14           H        ILE  14  -6.974  -2.502  -4.146
   98    HA   ILE  14           HA       ILE  14  -6.202   0.274  -3.684
   99    HB   ILE  14           HB       ILE  14  -4.860   0.160  -5.899
  100   HG12  ILE  14          2HG1      ILE  14  -3.426  -1.827  -6.193
  101   HG13  ILE  14          3HG1      ILE  14  -4.366  -2.723  -5.012
  102   HG21  ILE  14          1HG2      ILE  14  -3.615  -0.959  -3.357
  103   HG22  ILE  14          2HG2      ILE  14  -2.765  -0.162  -4.688
  104   HG23  ILE  14          3HG2      ILE  14  -3.920   0.753  -3.722
  105   HD11  ILE  14          3HD1      ILE  14  -6.299  -2.735  -6.522
  106   HD12  ILE  14          1HD1      ILE  14  -5.432  -1.669  -7.661
  107   HD13  ILE  14          2HD1      ILE  14  -4.865  -3.315  -7.374
  108    H    ASP  15           H        ASP  15  -6.844   1.646  -5.388
  109    HA   ASP  15           HA       ASP  15  -9.394   1.025  -6.666
  110    HB2  ASP  15           2HB      ASP  15  -8.695   3.147  -5.576
  111    HB3  ASP  15           3HB      ASP  15  -7.504   3.399  -6.864
  112    H    SER  16           H        SER  16  -9.434   1.931  -9.127
  113    HA   SER  16           HA       SER  16  -7.166   0.869 -10.725
  114    HG   SER  16           HG       SER  16  -9.299  -2.055 -10.502
  115    HB2  SER  16           2HB      SER  16 -10.059   0.017 -11.149
  116    HB3  SER  16           3HB      SER  16  -8.640  -0.528 -12.056
  117    H    ASP  17           H        ASP  17  -8.429   3.596 -10.127
  118    HA   ASP  17           HA       ASP  17 -10.155   4.457 -12.116
  119    HB2  ASP  17           2HB      ASP  17  -9.699   5.741 -10.104
  120    HB3  ASP  17           3HB      ASP  17  -8.035   6.038 -10.619
  121    H    GLY  18           H        GLY  18  -6.586   4.437 -12.258
  122    HA2  GLY  18           2HA      GLY  18  -6.081   3.960 -14.833
  123    HA3  GLY  18           1HA      GLY  18  -6.518   5.679 -14.931
  124    H    VAL  19           H        VAL  19  -5.499   6.845 -12.742
  125    HA   VAL  19           HA       VAL  19  -2.812   5.897 -12.100
  126    HB   VAL  19           HB       VAL  19  -3.379   8.731 -13.076
  127   HG11  VAL  19          1HG1      VAL  19  -0.777   7.391 -12.192
  128   HG12  VAL  19          2HG1      VAL  19  -0.904   9.025 -12.877
  129   HG13  VAL  19          3HG1      VAL  19  -1.656   8.667 -11.322
  130   HG21  VAL  19          3HG2      VAL  19  -1.801   6.546 -14.486
  131   HG22  VAL  19          1HG2      VAL  19  -3.280   7.343 -15.060
  132   HG23  VAL  19          2HG2      VAL  19  -1.784   8.263 -14.938
  133    H    PHE  20           H        PHE  20  -2.631   6.156  -9.823
  134    HA   PHE  20           HA       PHE  20  -3.933   8.391  -8.477
  135    HD1  PHE  20           HD1      PHE  20  -4.220   4.950  -5.932
  136    HD2  PHE  20           HD2      PHE  20  -5.606   4.907 -10.009
  137    HE1  PHE  20           HE1      PHE  20  -3.859   2.501  -6.023
  138    HE2  PHE  20           HE2      PHE  20  -5.215   2.453 -10.108
  139    HZ   PHE  20           HZ       PHE  20  -4.314   1.259  -8.129
  140    HB2  PHE  20           2HB      PHE  20  -5.234   6.966  -6.928
  141    HB3  PHE  20           3HB      PHE  20  -5.870   6.936  -8.561
  142    H    LYS  21           H        LYS  21  -3.265   8.565  -6.251
  143    HA   LYS  21           HA       LYS  21  -0.548   7.641  -5.824
  144    HB2  LYS  21           2HB      LYS  21  -2.521   9.319  -4.236
  145    HB3  LYS  21           3HB      LYS  21  -0.923   8.909  -3.624
  146    HG2  LYS  21           2HG      LYS  21   0.160   9.988  -5.545
  147    HG3  LYS  21           3HG      LYS  21  -1.417  10.352  -6.269
  148    HD2  LYS  21           2HD      LYS  21  -1.998  11.783  -4.371
  149    HD3  LYS  21           3HD      LYS  21  -0.457  11.415  -3.576
  150    HE2  LYS  21           2HE      LYS  21   0.762  12.374  -5.544
  151    HE3  LYS  21           3HE      LYS  21  -0.790  12.761  -6.300
  152    HZ1  LYS  21           3HZ      LYS  21  -1.258  14.232  -4.428
  153    HZ2  LYS  21           1HZ      LYS  21   0.221  13.909  -3.762
  154    HZ3  LYS  21           2HZ      LYS  21   0.116  14.682  -5.196
  155    H    TYR  22           H        TYR  22   0.211   6.430  -4.062
  156    HA   TYR  22           HA       TYR  22  -1.689   4.886  -2.470
  157    HD1  TYR  22           HD1      TYR  22   1.622   4.324  -5.183
  158    HD2  TYR  22           HD2      TYR  22   0.308   1.636  -2.088
  159    HE1  TYR  22           HE1      TYR  22   3.969   3.769  -4.681
  160    HE2  TYR  22           HE2      TYR  22   2.658   1.051  -1.581
  161    HH   TYR  22           HH       TYR  22   5.373   2.753  -3.154
  162    HB2  TYR  22           2HB      TYR  22  -1.260   2.832  -3.373
  163    HB3  TYR  22           3HB      TYR  22  -0.845   3.722  -4.819
  164    H    VAL  23           H        VAL  23  -0.460   3.748  -0.692
  165    HA   VAL  23           HA       VAL  23   2.231   4.855  -0.177
  166    HB   VAL  23           HB       VAL  23   1.642   5.093   2.244
  167   HG11  VAL  23          1HG1      VAL  23   0.194   6.983   0.358
  168   HG12  VAL  23          2HG1      VAL  23   0.677   7.336   2.032
  169   HG13  VAL  23          3HG1      VAL  23   1.912   7.047   0.800
  170   HG21  VAL  23          3HG2      VAL  23  -1.235   4.921   1.250
  171   HG22  VAL  23          1HG2      VAL  23  -0.433   3.811   2.357
  172   HG23  VAL  23          2HG2      VAL  23  -0.736   5.494   2.847
  173    H    LEU  24           H        LEU  24   3.504   3.609   1.152
  174    HA   LEU  24           HA       LEU  24   2.792   0.715   1.245
  175    HG   LEU  24           HG       LEU  24   6.479  -0.027   0.707
  176    HB2  LEU  24           2HB      LEU  24   4.825   1.635  -0.115
  177    HB3  LEU  24           3HB      LEU  24   5.550   2.013   1.427
  178   HD11  LEU  24          1HD1      LEU  24   4.336  -1.008   2.633
  179   HD12  LEU  24          2HD1      LEU  24   5.976  -1.636   2.387
  180   HD13  LEU  24          3HD1      LEU  24   5.746  -0.046   3.132
  181   HD21  LEU  24          3HD2      LEU  24   3.698  -1.177   0.278
  182   HD22  LEU  24          1HD2      LEU  24   4.757  -0.531  -0.997
  183   HD23  LEU  24          2HD2      LEU  24   5.258  -1.951  -0.086
  184    H    ILE  25           H        ILE  25   2.154   0.232   3.369
  185    HA   ILE  25           HA       ILE  25   3.210   1.985   5.561
  186    HB   ILE  25           HB       ILE  25   0.409   1.005   4.988
  187   HG12  ILE  25          2HG1      ILE  25   1.593   3.721   5.731
  188   HG13  ILE  25          3HG1      ILE  25   1.167   3.206   4.098
  189   HG21  ILE  25          1HG2      ILE  25   1.445   2.031   7.662
  190   HG22  ILE  25          2HG2      ILE  25  -0.266   1.742   7.264
  191   HG23  ILE  25          3HG2      ILE  25   0.835   0.391   7.343
  192   HD11  ILE  25          3HD1      ILE  25  -1.224   2.983   4.853
  193   HD12  ILE  25          1HD1      ILE  25  -0.745   3.716   6.413
  194   HD13  ILE  25          2HD1      ILE  25  -0.573   4.629   4.921
  195    H    ARG  26           H        ARG  26   4.237   1.038   7.106
  196    HA   ARG  26           HA       ARG  26   4.341  -1.910   7.328
  197    HE   ARG  26           HE       ARG  26   7.721  -2.998   8.082
  198    HB2  ARG  26           2HB      ARG  26   6.417  -0.616   7.600
  199    HB3  ARG  26           3HB      ARG  26   5.693   0.383   8.856
  200    HG2  ARG  26           2HG      ARG  26   5.621  -1.380  10.428
  201    HG3  ARG  26           3HG      ARG  26   5.806  -2.635   9.195
  202    HD2  ARG  26           2HD      ARG  26   7.995  -0.612   9.793
  203    HD3  ARG  26           3HD      ARG  26   7.852  -2.164  10.647
  204   HH11  ARG  26          1HH2      ARG  26  10.150  -0.901   9.642
  205   HH12  ARG  26          2HH2      ARG  26  11.413  -1.411   8.584
  206   HH21  ARG  26          1HH1      ARG  26   9.242  -3.646   6.812
  207   HH22  ARG  26          2HH1      ARG  26  10.898  -3.063   6.871
  208    H    VAL  27           H        VAL  27   3.321  -2.943   9.061
  209    HA   VAL  27           HA       VAL  27   1.814  -1.329  11.015
  210    HB   VAL  27           HB       VAL  27   0.235  -1.765   9.284
  211   HG11  VAL  27          1HG1      VAL  27   1.024  -4.695   9.337
  212   HG12  VAL  27          2HG1      VAL  27  -0.408  -4.035   8.517
  213   HG13  VAL  27          3HG1      VAL  27   1.204  -3.552   7.989
  214   HG21  VAL  27          3HG2      VAL  27  -0.234  -3.792  11.500
  215   HG22  VAL  27          1HG2      VAL  27  -0.508  -2.034  11.603
  216   HG23  VAL  27          2HG2      VAL  27  -1.458  -3.011  10.478
  217    H    HIS  28           H        HIS  28   1.896  -2.232  13.041
  218    HA   HIS  28           HA       HIS  28   3.790  -4.506  13.383
  219    HD1  HIS  28           HD1      HIS  28   6.204  -3.132  13.386
  220    HD2  HIS  28           HD2      HIS  28   3.700   0.005  14.676
  221    HE1  HIS  28           HE1      HIS  28   7.356  -0.964  12.722
  222    HB2  HIS  28           2HB      HIS  28   2.893  -2.356  15.346
  223    HB3  HIS  28           3HB      HIS  28   4.208  -3.506  15.566
  224    H    SER  29           H        SER  29   3.232  -6.220  14.938
  225    HA   SER  29           HA       SER  29   0.400  -6.707  15.177
  226    HG   SER  29           HG       SER  29   3.320  -9.332  15.854
  227    HB2  SER  29           2HB      SER  29   1.266  -8.688  16.619
  228    HB3  SER  29           3HB      SER  29   1.462  -8.670  14.874
  229    H    ALA  30           H        ALA  30  -0.326  -4.881  16.286
  230    HA   ALA  30           HA       ALA  30  -0.275  -5.353  19.219
  231    HB1  ALA  30           3HB      ALA  30   1.117  -3.359  18.721
  232    HB2  ALA  30           1HB      ALA  30  -0.270  -2.600  17.905
  233    HB3  ALA  30           2HB      ALA  30  -0.335  -2.945  19.644
  234    HA   PRO  31           HA       PRO  31  -4.557  -4.678  17.137
  235    HB2  PRO  31           2HB      PRO  31  -5.627  -7.191  16.947
  236    HB3  PRO  31           3HB      PRO  31  -4.694  -6.398  15.648
  237    HG2  PRO  31           2HG      PRO  31  -3.684  -8.389  17.695
  238    HG3  PRO  31           3HG      PRO  31  -3.410  -8.376  15.917
  239    HD2  PRO  31           2HD      PRO  31  -1.570  -7.379  17.642
  240    HD3  PRO  31           3HD      PRO  31  -1.882  -6.626  16.052
  241    H    ARG  32           H        ARG  32  -6.339  -4.489  18.442
  242    HA   ARG  32           HA       ARG  32  -7.142  -3.791  20.423
  243    HE   ARG  32           HE       ARG  32  -9.462  -3.286  21.207
  244    HB2  ARG  32           2HB      ARG  32  -6.951  -6.780  20.920
  245    HB3  ARG  32           3HB      ARG  32  -7.904  -5.705  21.924
  246    HG2  ARG  32           2HG      ARG  32  -8.434  -5.809  18.936
  247    HG3  ARG  32           3HG      ARG  32  -9.041  -7.049  20.022
  248    HD2  ARG  32           2HD      ARG  32 -10.770  -5.391  19.665
  249    HD3  ARG  32           3HD      ARG  32 -10.268  -5.423  21.348
  250   HH11  ARG  32          1HH2      ARG  32 -10.377  -4.325  17.917
  251   HH12  ARG  32          2HH2      ARG  32 -10.165  -2.725  17.254
  252   HH21  ARG  32          1HH1      ARG  32  -9.148  -1.200  20.221
  253   HH22  ARG  32          2HH1      ARG  32  -9.437  -1.020  18.515
  254    H    SER  33           H        SER  33  -4.123  -3.762  20.351
  255    HA   SER  33           HA       SER  33  -2.325  -3.598  21.638
  256    HG   SER  33           HG       SER  33  -3.829  -0.514  22.677
  257    HB2  SER  33           2HB      SER  33  -4.238  -2.511  23.736
  258    HB3  SER  33           3HB      SER  33  -2.509  -2.161  23.574
  259    H    GLY  34           H        GLY  34  -3.644  -6.221  21.725
  260    HA2  GLY  34           2HA      GLY  34  -3.028  -7.135  24.519
  261    HA3  GLY  34           1HA      GLY  34  -4.349  -7.720  23.511
  262    H    ALA  35           H        ALA  35  -2.323  -7.706  21.096
  263    HA   ALA  35           HA       ALA  35  -1.580 -10.444  21.300
  264    HB1  ALA  35           3HB      ALA  35  -1.908  -9.308  19.146
  265    HB2  ALA  35           1HB      ALA  35  -0.484  -8.277  19.460
  266    HB3  ALA  35           2HB      ALA  35  -0.291 -10.027  19.238
  267    HA   PRO  36           HA       PRO  36   2.271  -9.724  23.612
  268    HB2  PRO  36           2HB      PRO  36   3.211 -12.267  23.806
  269    HB3  PRO  36           3HB      PRO  36   1.736 -11.738  24.672
  270    HG2  PRO  36           2HG      PRO  36   1.907 -13.204  22.016
  271    HG3  PRO  36           3HG      PRO  36   0.899 -13.614  23.441
  272    HD2  PRO  36           2HD      PRO  36  -0.065 -12.174  21.314
  273    HD3  PRO  36           3HD      PRO  36  -0.614 -11.873  22.990
  274    H    ALA  37           H        ALA  37   2.031 -10.912  20.357
  275    HA   ALA  37           HA       ALA  37   4.793 -11.266  19.721
  276    HB1  ALA  37           3HB      ALA  37   2.933 -12.130  18.335
  277    HB2  ALA  37           1HB      ALA  37   2.438 -10.463  17.953
  278    HB3  ALA  37           2HB      ALA  37   4.004 -11.086  17.390
  279    H    ALA  38           H        ALA  38   5.975  -9.834  18.178
  280    HA   ALA  38           HA       ALA  38   5.441  -6.963  18.291
  281    HB1  ALA  38           3HB      ALA  38   6.681  -7.378  20.409
  282    HB2  ALA  38           1HB      ALA  38   7.981  -8.178  19.496
  283    HB3  ALA  38           2HB      ALA  38   7.662  -6.444  19.263
  284    H    GLU  39           H        GLU  39   5.083  -8.339  16.162
  285    HA   GLU  39           HA       GLU  39   7.539  -8.420  14.474
  286    HB2  GLU  39           2HB      GLU  39   4.839  -9.803  14.101
  287    HB3  GLU  39           3HB      GLU  39   6.210  -9.917  13.008
  288    HG2  GLU  39           2HG      GLU  39   6.071 -10.990  15.855
  289    HG3  GLU  39           3HG      GLU  39   6.015 -11.925  14.369
  290    H    SER  40           H        SER  40   6.764  -7.958  12.064
  291    HA   SER  40           HA       SER  40   4.680  -5.902  11.940
  292    HG   SER  40           HG       SER  40   7.932  -4.937  12.731
  293    HB2  SER  40           2HB      SER  40   7.412  -5.391  10.735
  294    HB3  SER  40           3HB      SER  40   6.032  -4.294  10.814
  295    H    LYS  41           H        LYS  41   4.045  -5.434   9.776
  296    HA   LYS  41           HA       LYS  41   4.705  -7.309   7.601
  297    HB2  LYS  41           2HB      LYS  41   2.933  -8.419   8.803
  298    HB3  LYS  41           3HB      LYS  41   1.999  -6.948   8.965
  299    HG2  LYS  41           2HG      LYS  41   2.462  -7.881   6.150
  300    HG3  LYS  41           3HG      LYS  41   1.520  -8.951   7.189
  301    HD2  LYS  41           2HD      LYS  41  -0.024  -7.108   7.775
  302    HD3  LYS  41           3HD      LYS  41   0.895  -6.014   6.744
  303    HE2  LYS  41           2HE      LYS  41  -1.131  -6.724   5.630
  304    HE3  LYS  41           3HE      LYS  41   0.278  -7.314   4.743
  305    HZ1  LYS  41           3HZ      LYS  41  -0.199  -9.479   5.402
  306    HZ2  LYS  41           1HZ      LYS  41  -1.146  -9.034   6.684
  307    HZ3  LYS  41           2HZ      LYS  41  -1.704  -8.865   5.164
  308    H    GLU  42           H        GLU  42   3.586  -6.316   5.543
  309    HA   GLU  42           HA       GLU  42   3.380  -3.359   5.806
  310    HB2  GLU  42           2HB      GLU  42   4.935  -4.952   3.724
  311    HB3  GLU  42           3HB      GLU  42   4.459  -3.277   3.534
  312    HG2  GLU  42           2HG      GLU  42   6.676  -3.161   4.215
  313    HG3  GLU  42           3HG      GLU  42   5.738  -2.706   5.628
  314    H    ILE  43           H        ILE  43   1.926  -2.397   4.353
  315    HA   ILE  43           HA       ILE  43   0.277  -4.191   2.670
  316    HB   ILE  43           HB       ILE  43  -1.734  -2.906   3.368
  317   HG12  ILE  43          2HG1      ILE  43  -0.069  -1.880   5.700
  318   HG13  ILE  43          3HG1      ILE  43  -0.641  -0.910   4.338
  319   HG21  ILE  43          1HG2      ILE  43  -0.452  -4.384   5.681
  320   HG22  ILE  43          2HG2      ILE  43  -2.181  -4.255   5.291
  321   HG23  ILE  43          3HG2      ILE  43  -1.119  -5.163   4.219
  322   HD11  ILE  43          3HD1      ILE  43  -3.002  -1.400   4.994
  323   HD12  ILE  43          1HD1      ILE  43  -2.407  -2.279   6.420
  324   HD13  ILE  43          2HD1      ILE  43  -2.085  -0.555   6.255
  325    H    VAL  44           H        VAL  44  -0.755  -3.197   0.964
  326    HA   VAL  44           HA       VAL  44   0.371  -0.583   0.031
  327    HB   VAL  44           HB       VAL  44  -0.578  -3.079  -1.451
  328   HG11  VAL  44          1HG1      VAL  44   0.664  -0.607  -2.704
  329   HG12  VAL  44          2HG1      VAL  44   0.093  -2.065  -3.528
  330   HG13  VAL  44          3HG1      VAL  44  -1.073  -0.994  -2.752
  331   HG21  VAL  44          3HG2      VAL  44   2.227  -1.913  -1.316
  332   HG22  VAL  44          1HG2      VAL  44   1.679  -3.358  -0.438
  333   HG23  VAL  44          2HG2      VAL  44   1.723  -3.363  -2.205
  334    H    ARG  45           H        ARG  45  -1.194   0.978   0.213
  335    HA   ARG  45           HA       ARG  45  -4.021   0.320  -0.510
  336    HE   ARG  45           HE       ARG  45  -4.390  -1.618   0.475
  337    HB2  ARG  45           2HB      ARG  45  -3.055   2.187   1.717
  338    HB3  ARG  45           3HB      ARG  45  -4.684   2.201   1.073
  339    HG2  ARG  45           2HG      ARG  45  -3.409  -0.009   2.719
  340    HG3  ARG  45           3HG      ARG  45  -4.692   1.101   3.172
  341    HD2  ARG  45           2HD      ARG  45  -6.049  -0.625   2.720
  342    HD3  ARG  45           3HD      ARG  45  -5.937   0.025   1.081
  343   HH11  ARG  45          1HH1      ARG  45  -5.713  -2.312   3.731
  344   HH12  ARG  45          2HH1      ARG  45  -4.829  -3.800   3.874
  345   HH21  ARG  45          1HH2      ARG  45  -3.157  -3.438   0.803
  346   HH22  ARG  45          2HH2      ARG  45  -3.444  -4.493   2.176
  347    H    GLY  46           H        GLY  46  -4.979   1.980  -1.822
  348    HA2  GLY  46           2HA      GLY  46  -3.938   4.589  -2.082
  349    HA3  GLY  46           1HA      GLY  46  -3.263   3.591  -3.384
  350    H    TYR  47           H        TYR  47  -5.301   5.841  -3.334
  351    HA   TYR  47           HA       TYR  47  -7.332   4.601  -5.007
  352    HD1  TYR  47           HD2      TYR  47  -6.871   4.951  -0.839
  353    HD2  TYR  47           HD1      TYR  47  -9.576   2.855  -3.462
  354    HE1  TYR  47           HE2      TYR  47  -6.845   2.988   0.696
  355    HE2  TYR  47           HE1      TYR  47  -9.512   0.875  -1.974
  356    HH   TYR  47           HH       TYR  47  -8.555  -0.083  -0.060
  357    HB2  TYR  47           2HB      TYR  47  -8.170   6.131  -2.520
  358    HB3  TYR  47           3HB      TYR  47  -9.218   5.295  -3.654
  359    H    LYS  48           H        LYS  48  -8.468   6.190  -6.287
  360    HA   LYS  48           HA       LYS  48  -7.004   8.584  -6.704
  361    HB2  LYS  48           2HB      LYS  48  -8.386   7.435  -8.414
  362    HB3  LYS  48           3HB      LYS  48  -9.852   7.894  -7.547
  363    HG2  LYS  48           2HG      LYS  48  -9.427   9.305  -9.521
  364    HG3  LYS  48           3HG      LYS  48  -9.472  10.249  -8.035
  365    HD2  LYS  48           2HD      LYS  48  -6.997  10.355  -8.004
  366    HD3  LYS  48           3HD      LYS  48  -6.924   9.354  -9.470
  367    HE2  LYS  48           2HE      LYS  48  -7.984  11.082 -10.783
  368    HE3  LYS  48           3HE      LYS  48  -8.429  11.995  -9.332
  369    HZ1  LYS  48           3HZ      LYS  48  -6.120  12.424  -8.903
  370    HZ2  LYS  48           1HZ      LYS  48  -5.646  11.571 -10.238
  371    HZ3  LYS  48           2HZ      LYS  48  -6.502  12.954 -10.405
  372    H    TRP  49           H        TRP  49  -9.669   7.958  -4.414
  373    HA   TRP  49           HA       TRP  49 -10.290  10.716  -4.033
  374    HD1  TRP  49           HD1      TRP  49 -12.317   6.821  -3.190
  375    HE1  TRP  49           HE1      TRP  49 -11.741   4.868  -1.661
  376    HE3  TRP  49           HE3      TRP  49  -8.888   9.138  -0.160
  377    HZ2  TRP  49           HZ2      TRP  49 -10.003   4.357   0.615
  378    HZ3  TRP  49           HZ3      TRP  49  -7.694   7.862   1.563
  379    HH2  TRP  49           HH2      TRP  49  -8.210   5.447   1.952
  380    HB2  TRP  49           2HB      TRP  49 -11.215  10.003  -1.828
  381    HB3  TRP  49           3HB      TRP  49 -11.897   9.283  -3.261
  382    H    ALA  50           H        ALA  50  -7.522   8.823  -2.888
  383    HA   ALA  50           HA       ALA  50  -6.746  10.951  -1.016
  384    HB1  ALA  50           3HB      ALA  50  -6.300   8.746  -0.277
  385    HB2  ALA  50           1HB      ALA  50  -5.389   8.352  -1.767
  386    HB3  ALA  50           2HB      ALA  50  -4.776   9.569  -0.615
  387    H    GLU  51           H        GLU  51  -6.846  12.555  -2.813
  388    HA   GLU  51           HA       GLU  51  -4.915  12.518  -4.930
  389    HB2  GLU  51           2HB      GLU  51  -6.453  14.749  -3.527
  390    HB3  GLU  51           3HB      GLU  51  -5.408  15.068  -4.907
  391    HG2  GLU  51           2HG      GLU  51  -7.689  13.064  -5.079
  392    HG3  GLU  51           3HG      GLU  51  -7.922  14.785  -5.321
  393    H    TYR  52           H        TYR  52  -4.321  12.681  -1.609
  394    HA   TYR  52           HA       TYR  52  -1.607  13.689  -2.013
  395    HD1  TYR  52           HD1      TYR  52  -4.543  15.953  -1.934
  396    HD2  TYR  52           HD2      TYR  52  -3.629  14.559   2.028
  397    HE1  TYR  52           HE1      TYR  52  -6.825  16.622  -1.190
  398    HE2  TYR  52           HE2      TYR  52  -5.889  15.229   2.802
  399    HH   TYR  52           HH       TYR  52  -8.314  16.724   0.604
  400    HB2  TYR  52           2HB      TYR  52  -1.891  14.766   0.361
  401    HB3  TYR  52           3HB      TYR  52  -2.205  15.652  -1.114
  402    H    HIS  53           H        HIS  53  -0.131  12.687  -0.352
  403    HA   HIS  53           HA       HIS  53  -1.015   9.902  -0.080
  404    HD2  HIS  53           HD2      HIS  53   0.931   8.140  -1.474
  405    HE1  HIS  53           HE1      HIS  53   2.659  10.968  -4.142
  406    HE2  HIS  53           HE2      HIS  53   1.867   8.553  -3.872
  407    HB2  HIS  53           2HB      HIS  53   1.605  11.309   0.610
  408    HB3  HIS  53           3HB      HIS  53   1.309   9.592   0.778
  409    H    ALA  54           H        ALA  54  -0.368  12.747   1.948
  410    HA   ALA  54           HA       ALA  54  -0.589  11.594   4.485
  411    HB1  ALA  54           3HB      ALA  54  -0.125  13.995   4.088
  412    HB2  ALA  54           1HB      ALA  54  -1.808  14.235   3.568
  413    HB3  ALA  54           2HB      ALA  54  -1.455  13.774   5.243
  414    H    ASP  55           H        ASP  55  -3.233  11.943   2.102
  415    HA   ASP  55           HA       ASP  55  -5.345  11.845   4.042
  416    HB2  ASP  55           2HB      ASP  55  -5.524  12.599   1.577
  417    HB3  ASP  55           3HB      ASP  55  -5.549  10.910   1.159
  418    H    ILE  56           H        ILE  56  -3.879   9.320   1.917
  419    HA   ILE  56           HA       ILE  56  -5.394   7.192   3.143
  420    HB   ILE  56           HB       ILE  56  -3.316   5.839   2.127
  421   HG12  ILE  56          2HG1      ILE  56  -3.181   8.426   0.570
  422   HG13  ILE  56          3HG1      ILE  56  -1.899   7.452   1.285
  423   HG21  ILE  56          1HG2      ILE  56  -5.642   6.790   0.464
  424   HG22  ILE  56          2HG2      ILE  56  -4.716   5.282   0.282
  425   HG23  ILE  56          3HG2      ILE  56  -5.699   5.529   1.711
  426   HD11  ILE  56          3HD1      ILE  56  -2.401   5.694  -0.470
  427   HD12  ILE  56          1HD1      ILE  56  -3.587   6.800  -1.184
  428   HD13  ILE  56          2HD1      ILE  56  -1.873   7.253  -1.142
  429    H    TYR  57           H        TYR  57  -2.136   8.658   3.789
  430    HA   TYR  57           HA       TYR  57  -1.382   6.586   5.542
  431    HD1  TYR  57           HD2      TYR  57   0.409   6.015   6.648
  432    HD2  TYR  57           HD1      TYR  57   0.728  10.244   7.451
  433    HE1  TYR  57           HE2      TYR  57   1.693   5.519   8.671
  434    HE2  TYR  57           HE1      TYR  57   2.101   9.760   9.447
  435    HH   TYR  57           HH       TYR  57   3.073   8.096  10.775
  436    HB2  TYR  57           2HB      TYR  57   0.217   8.267   4.774
  437    HB3  TYR  57           3HB      TYR  57  -0.642   9.525   5.666
  438    H    ASP  58           H        ASP  58  -3.205   9.612   6.290
  439    HA   ASP  58           HA       ASP  58  -3.501   9.052   9.062
  440    HB2  ASP  58           2HB      ASP  58  -3.870  11.279   8.140
  441    HB3  ASP  58           3HB      ASP  58  -5.223  10.692   7.167
  442    H    LYS  59           H        LYS  59  -5.697   8.396   6.270
  443    HA   LYS  59           HA       LYS  59  -7.831   7.294   7.786
  444    HB2  LYS  59           2HB      LYS  59  -8.047   8.130   5.547
  445    HB3  LYS  59           3HB      LYS  59  -6.968   6.895   4.896
  446    HG2  LYS  59           2HG      LYS  59  -8.550   5.219   4.991
  447    HG3  LYS  59           3HG      LYS  59  -9.408   5.933   6.380
  448    HD2  LYS  59           2HD      LYS  59 -10.373   7.658   5.029
  449    HD3  LYS  59           3HD      LYS  59  -9.387   7.210   3.627
  450    HE2  LYS  59           2HE      LYS  59 -10.518   4.958   3.607
  451    HE3  LYS  59           3HE      LYS  59 -11.571   5.510   4.917
  452    HZ1  LYS  59           3HZ      LYS  59 -12.391   7.245   3.422
  453    HZ2  LYS  59           1HZ      LYS  59 -11.411   6.721   2.215
  454    HZ3  LYS  59           2HZ      LYS  59 -12.624   5.774   2.762
  455    H    VAL  60           H        VAL  60  -5.098   5.618   6.126
  456    HA   VAL  60           HA       VAL  60  -6.140   3.024   6.816
  457    HB   VAL  60           HB       VAL  60  -3.451   3.913   5.702
  458   HG11  VAL  60          1HG1      VAL  60  -4.678   1.118   5.839
  459   HG12  VAL  60          2HG1      VAL  60  -3.208   1.565   4.935
  460   HG13  VAL  60          3HG1      VAL  60  -3.226   1.676   6.691
  461   HG21  VAL  60          3HG2      VAL  60  -5.887   2.734   4.276
  462   HG22  VAL  60          1HG2      VAL  60  -5.490   4.451   4.270
  463   HG23  VAL  60          2HG2      VAL  60  -4.370   3.324   3.534
  464    H    SER  61           H        SER  61  -3.379   5.049   8.140
  465    HA   SER  61           HA       SER  61  -2.702   3.103  10.115
  466    HG   SER  61           HG       SER  61  -1.195   5.668   8.634
  467    HB2  SER  61           2HB      SER  61  -2.405   6.127  10.270
  468    HB3  SER  61           3HB      SER  61  -1.568   4.921  11.266
  469    H    GLY  62           H        GLY  62  -5.181   5.715  10.049
  470    HA2  GLY  62           2HA      GLY  62  -6.105   5.505  12.698
  471    HA3  GLY  62           1HA      GLY  62  -7.064   5.967  11.277
  472    H    ASP  63           H        ASP  63  -7.170   3.642   9.736
  473    HA   ASP  63           HA       ASP  63  -9.052   2.064  11.153
  474    HB2  ASP  63           2HB      ASP  63  -8.998   2.257   8.684
  475    HB3  ASP  63           3HB      ASP  63  -7.541   1.257   8.652
  476    H    MET  64           H        MET  64  -5.589   1.401  10.387
  477    HA   MET  64           HA       MET  64  -5.525  -1.187  11.586
  478    HB2  MET  64           2HB      MET  64  -3.302   0.892  11.410
  479    HB3  MET  64           3HB      MET  64  -3.079  -0.796  11.819
  480    HG2  MET  64           2HG      MET  64  -4.141   0.182   9.144
  481    HG3  MET  64           3HG      MET  64  -2.518  -0.379   9.460
  482    HE1  MET  64           3HE      MET  64  -6.277  -1.412   9.317
  483    HE2  MET  64           1HE      MET  64  -5.469  -1.216   7.724
  484    HE3  MET  64           2HE      MET  64  -6.043  -2.821   8.249
  485    H    GLN  65           H        GLN  65  -4.931   2.069  13.032
  486    HA   GLN  65           HA       GLN  65  -4.424   1.054  15.641
  487    HB2  GLN  65           2HB      GLN  65  -5.185   3.740  14.476
  488    HB3  GLN  65           3HB      GLN  65  -4.975   3.528  16.220
  489    HG2  GLN  65           2HG      GLN  65  -2.650   2.809  15.904
  490    HG3  GLN  65           3HG      GLN  65  -2.807   2.875  14.153
  491   HE21  GLN  65          2HE2      GLN  65  -0.712   4.327  15.328
  492   HE22  GLN  65          1HE2      GLN  65  -1.099   6.027  15.232
  493    H    LYS  66           H        LYS  66  -7.494   1.795  13.981
  494    HA   LYS  66           HA       LYS  66  -9.075   1.470  16.402
  495    HB2  LYS  66           2HB      LYS  66  -9.730   1.387  13.440
  496    HB3  LYS  66           3HB      LYS  66 -10.928   0.980  14.678
  497    HG2  LYS  66           2HG      LYS  66 -10.635   3.152  15.763
  498    HG3  LYS  66           3HG      LYS  66  -9.397   3.623  14.605
  499    HD2  LYS  66           2HD      LYS  66 -12.299   3.007  13.900
  500    HD3  LYS  66           3HD      LYS  66 -11.641   4.624  14.189
  501    HE2  LYS  66           2HE      LYS  66 -10.036   4.302  12.292
  502    HE3  LYS  66           3HE      LYS  66 -10.768   2.723  11.971
  503    HZ1  LYS  66           3HZ      LYS  66 -12.867   3.856  11.523
  504    HZ2  LYS  66           1HZ      LYS  66 -12.195   5.315  11.821
  505    HZ3  LYS  66           2HZ      LYS  66 -11.700   4.435  10.545
  506    H    GLN  67           H        GLN  67  -7.820  -0.837  13.877
  507    HA   GLN  67           HA       GLN  67  -8.966  -3.126  15.240
  508    HB2  GLN  67           2HB      GLN  67  -6.510  -3.014  13.433
  509    HB3  GLN  67           3HB      GLN  67  -7.375  -4.455  13.957
  510    HG2  GLN  67           2HG      GLN  67  -9.439  -3.601  12.798
  511    HG3  GLN  67           3HG      GLN  67  -8.512  -2.221  12.220
  512   HE21  GLN  67          2HE2      GLN  67  -8.373  -2.549   9.973
  513   HE22  GLN  67          1HE2      GLN  67  -7.792  -4.051   9.283
  514    H    GLY  68           H        GLY  68  -6.129  -1.137  15.762
  515    HA2  GLY  68           2HA      GLY  68  -5.540  -0.900  18.172
  516    HA3  GLY  68           1HA      GLY  68  -5.344  -2.654  18.207
  517    H    CYS  69           H        CYS  69  -4.303  -2.467  15.339
  518    HA   CYS  69           HA       CYS  69  -1.529  -2.773  15.908
  519    HG   CYS  69           HG       CYS  69  -2.865  -4.920  12.819
  520    HB2  CYS  69           2HB      CYS  69  -3.133  -2.372  13.341
  521    HB3  CYS  69           3HB      CYS  69  -1.422  -2.804  13.395
  522    H    ASP  70           H        ASP  70   0.243  -1.384  15.359
  523    HA   ASP  70           HA       ASP  70  -0.533   1.466  14.886
  524    HB2  ASP  70           2HB      ASP  70   0.473   1.035  17.097
  525    HB3  ASP  70           3HB      ASP  70   1.925   0.410  16.301
  526    H    CYS  71           H        CYS  71   1.013   2.703  13.523
  527    HA   CYS  71           HA       CYS  71   2.245   0.976  11.434
  528    HG   CYS  71           HG       CYS  71  -1.327   1.243   9.790
  529    HB2  CYS  71           2HB      CYS  71   0.037   3.069  11.115
  530    HB3  CYS  71           3HB      CYS  71   0.924   2.379   9.767
  531    H    GLU  72           H        GLU  72   3.422   2.122   9.747
  532    HA   GLU  72           HA       GLU  72   3.931   4.983  10.035
  533    HB2  GLU  72           2HB      GLU  72   5.688   4.037  11.446
  534    HB3  GLU  72           3HB      GLU  72   6.106   2.837  10.211
  535    HG2  GLU  72           2HG      GLU  72   6.904   4.537   8.714
  536    HG3  GLU  72           3HG      GLU  72   6.265   5.832   9.733
  537    H    CYS  73           H        CYS  73   4.017   5.814   7.888
  538    HA   CYS  73           HA       CYS  73   3.867   3.957   5.639
  539    HG   CYS  73           HG       CYS  73   3.411   8.430   5.365
  540    HB2  CYS  73           2HB      CYS  73   4.045   6.115   4.292
  541    HB3  CYS  73           3HB      CYS  73   2.611   5.941   5.294
  542    H    LEU  74           H        LEU  74   5.600   3.015   4.734
  543    HA   LEU  74           HA       LEU  74   8.330   3.819   5.435
  544    HG   LEU  74           HG       LEU  74   6.756   0.903   5.490
  545    HB2  LEU  74           2HB      LEU  74   7.320   1.854   3.334
  546    HB3  LEU  74           3HB      LEU  74   8.993   2.095   3.814
  547   HD11  LEU  74          1HD1      LEU  74   9.448  -0.244   4.632
  548   HD12  LEU  74          2HD1      LEU  74   8.148  -1.093   5.495
  549   HD13  LEU  74          3HD1      LEU  74   7.909  -0.576   3.821
  550   HD21  LEU  74          3HD2      LEU  74   9.578   1.646   6.379
  551   HD22  LEU  74          1HD2      LEU  74   8.043   2.243   7.055
  552   HD23  LEU  74          2HD2      LEU  74   8.501   0.555   7.272
  553    H    GLY  75           H        GLY  75   5.942   4.577   2.966
  554    HA2  GLY  75           2HA      GLY  75   6.953   7.023   2.330
  555    HA3  GLY  75           1HA      GLY  75   7.710   5.955   1.139
  556    H    GLY  76           H        GLY  76   6.331   7.330  -0.357
  557    HA2  GLY  76           2HA      GLY  76   3.940   5.751  -0.985
  558    HA3  GLY  76           1HA      GLY  76   3.685   7.493  -0.775
  559    H    GLY  77           H        GLY  77   3.040   6.517  -3.108
  560    HA2  GLY  77           2HA      GLY  77   4.662   7.842  -5.070
  561    HA3  GLY  77           1HA      GLY  77   4.826   6.077  -5.177
  562    H    ARG  78           H        ARG  78   3.586   6.124  -7.263
  563    HA   ARG  78           HA       ARG  78   0.710   6.001  -6.674
  564    HE   ARG  78           HE       ARG  78   2.272   9.873 -11.648
  565    HB2  ARG  78           2HB      ARG  78   0.073   7.370  -8.606
  566    HB3  ARG  78           3HB      ARG  78   0.917   8.309  -7.376
  567    HG2  ARG  78           2HG      ARG  78   2.973   8.244  -8.756
  568    HG3  ARG  78           3HG      ARG  78   2.098   7.265  -9.958
  569    HD2  ARG  78           2HD      ARG  78   0.544   9.039 -10.420
  570    HD3  ARG  78           3HD      ARG  78   1.051   9.973  -9.019
  571   HH11  ARG  78          1HH2      ARG  78   2.892  10.637  -8.239
  572   HH12  ARG  78          2HH2      ARG  78   4.200  11.718  -8.553
  573   HH21  ARG  78          1HH1      ARG  78   3.799  11.549 -12.095
  574   HH22  ARG  78          2HH1      ARG  78   4.486  12.470 -10.819
  575    H    ILE  79           H        ILE  79  -0.463   5.060  -8.435
  576    HA   ILE  79           HA       ILE  79   1.105   2.867  -9.693
  577    HB   ILE  79           HB       ILE  79  -1.582   2.801  -8.249
  578   HG12  ILE  79          2HG1      ILE  79   1.023   1.318  -7.658
  579   HG13  ILE  79          3HG1      ILE  79   0.457   2.739  -6.789
  580   HG21  ILE  79          1HG2      ILE  79  -0.197   0.543  -9.772
  581   HG22  ILE  79          2HG2      ILE  79  -1.689   0.386  -8.819
  582   HG23  ILE  79          3HG2      ILE  79  -1.695   1.365 -10.266
  583   HD11  ILE  79          3HD1      ILE  79  -1.572   1.477  -6.067
  584   HD12  ILE  79          1HD1      ILE  79  -0.871   0.008  -6.790
  585   HD13  ILE  79          2HD1      ILE  79  -0.041   0.817  -5.460
  586    H    SER  80           H        SER  80   0.407   2.386 -11.808
  587    HA   SER  80           HA       SER  80  -1.843   3.922 -12.919
  588    HG   SER  80           HG       SER  80   1.898   4.720 -14.319
  589    HB2  SER  80           2HB      SER  80  -0.346   4.629 -14.831
  590    HB3  SER  80           3HB      SER  80  -0.019   5.419 -13.283
  591    H    HIS  81           H        HIS  81  -2.440   3.195 -15.056
  592    HA   HIS  81           HA       HIS  81  -1.763   0.337 -15.597
  593    HD1  HIS  81           HD1      HIS  81  -4.236  -1.637 -14.757
  594    HD2  HIS  81           HD2      HIS  81  -4.671   2.339 -13.454
  595    HE1  HIS  81           HE1      HIS  81  -5.093  -1.753 -12.362
  596    HB2  HIS  81           2HB      HIS  81  -4.303   1.918 -16.155
  597    HB3  HIS  81           3HB      HIS  81  -4.013   0.250 -16.650
  598    H    GLN  82           H        GLN  82  -0.150   2.577 -16.405
  599    HA   GLN  82           HA       GLN  82   0.915   3.566 -18.107
  600    HB2  GLN  82           2HB      GLN  82   0.189   0.962 -19.437
  601    HB3  GLN  82           3HB      GLN  82   1.518   2.017 -19.935
  602    HG2  GLN  82           2HG      GLN  82   2.689   1.645 -17.822
  603    HG3  GLN  82           3HG      GLN  82   1.374   0.626 -17.232
  604   HE21  GLN  82          2HE2      GLN  82   0.768  -0.930 -19.502
  605   HE22  GLN  82          1HE2      GLN  82   2.119  -1.932 -19.930
  606    H    SER  83           H        SER  83   0.694   3.447 -20.919
  607    HA   SER  83           HA       SER  83  -1.342   5.383 -21.462
  608    HG   SER  83           HG       SER  83   1.581   3.790 -23.786
  609    HB2  SER  83           2HB      SER  83  -0.472   4.844 -23.859
  610    HB3  SER  83           3HB      SER  83   0.643   5.566 -22.688
  611    H    GLN  84           H        GLN  84  -0.922   1.901 -22.271
  612    HA   GLN  84           HA       GLN  84  -3.813   1.524 -22.493
  613    HB2  GLN  84           2HB      GLN  84  -3.042   2.479 -24.740
  614    HB3  GLN  84           3HB      GLN  84  -2.030   1.053 -24.931
  615    HG2  GLN  84           2HG      GLN  84  -4.064   0.766 -26.193
  616    HG3  GLN  84           3HG      GLN  84  -4.085  -0.382 -24.863
  617   HE21  GLN  84          2HE2      GLN  84  -5.362   2.822 -25.933
  618   HE22  GLN  84          1HE2      GLN  84  -6.803   2.767 -24.952
  619    H    ASP  85           H        ASP  85  -0.501   0.132 -22.939
  620    HA   ASP  85           HA       ASP  85  -1.256  -2.578 -22.999
  621    HB2  ASP  85           2HB      ASP  85   0.946  -1.929 -23.658
  622    HB3  ASP  85           3HB      ASP  85   1.300  -1.228 -22.084
  623    H    LYS  86           H        LYS  86  -1.547  -4.170 -21.462
  624    HA   LYS  86           HA       LYS  86  -2.872  -3.260 -19.123
  625    HB2  LYS  86           2HB      LYS  86  -2.134  -6.075 -20.032
  626    HB3  LYS  86           3HB      LYS  86  -3.229  -5.701 -18.698
  627    HG2  LYS  86           2HG      LYS  86  -4.723  -4.458 -20.249
  628    HG3  LYS  86           3HG      LYS  86  -3.672  -4.905 -21.607
  629    HD2  LYS  86           2HD      LYS  86  -4.085  -7.308 -21.140
  630    HD3  LYS  86           3HD      LYS  86  -5.149  -6.858 -19.787
  631    HE2  LYS  86           2HE      LYS  86  -6.623  -5.622 -21.363
  632    HE3  LYS  86           3HE      LYS  86  -5.566  -6.068 -22.707
  633    HZ1  LYS  86           3HZ      LYS  86  -6.117  -8.394 -22.282
  634    HZ2  LYS  86           1HZ      LYS  86  -7.097  -7.981 -21.040
  635    HZ3  LYS  86           2HZ      LYS  86  -7.471  -7.535 -22.560
  636    H    LYS  87           H        LYS  87   0.543  -3.884 -19.373
  637    HA   LYS  87           HA       LYS  87   0.945  -5.067 -16.788
  638    HB2  LYS  87           2HB      LYS  87   2.665  -5.009 -18.510
  639    HB3  LYS  87           3HB      LYS  87   2.736  -3.241 -18.440
  640    HG2  LYS  87           2HG      LYS  87   3.784  -3.218 -16.350
  641    HG3  LYS  87           3HG      LYS  87   3.368  -4.906 -16.008
  642    HD2  LYS  87           2HD      LYS  87   5.771  -4.560 -16.647
  643    HD3  LYS  87           3HD      LYS  87   4.906  -5.738 -17.614
  644    HE2  LYS  87           2HE      LYS  87   6.337  -4.466 -19.053
  645    HE3  LYS  87           3HE      LYS  87   4.663  -4.102 -19.459
  646    HZ1  LYS  87           3HZ      LYS  87   4.878  -1.975 -18.360
  647    HZ2  LYS  87           1HZ      LYS  87   6.360  -2.364 -17.760
  648    HZ3  LYS  87           2HZ      LYS  87   6.146  -2.149 -19.359
  649    H    ILE  88           H        ILE  88   0.787  -4.203 -14.780
  650    HA   ILE  88           HA       ILE  88  -0.203  -1.448 -14.456
  651    HB   ILE  88           HB       ILE  88   0.456  -3.656 -12.466
  652   HG12  ILE  88          2HG1      ILE  88  -2.258  -2.780 -13.542
  653   HG13  ILE  88          3HG1      ILE  88  -1.414  -4.257 -14.000
  654   HG21  ILE  88          1HG2      ILE  88  -1.113  -1.066 -12.028
  655   HG22  ILE  88          2HG2      ILE  88  -0.822  -2.325 -10.809
  656   HG23  ILE  88          3HG2      ILE  88   0.520  -1.382 -11.410
  657   HD11  ILE  88          3HD1      ILE  88  -1.507  -5.035 -11.622
  658   HD12  ILE  88          1HD1      ILE  88  -2.568  -3.647 -11.266
  659   HD13  ILE  88          2HD1      ILE  88  -3.077  -4.874 -12.432
  660    H    HIS  89           H        HIS  89   1.112   0.146 -13.187
  661    HA   HIS  89           HA       HIS  89   3.973  -0.559 -12.942
  662    HD1  HIS  89           HD1      HIS  89   5.949  -0.609 -14.842
  663    HD2  HIS  89           HD2      HIS  89   5.352   3.440 -13.810
  664    HE1  HIS  89           HE1      HIS  89   8.240   0.488 -14.868
  665    HB2  HIS  89           2HB      HIS  89   3.384   0.600 -15.193
  666    HB3  HIS  89           3HB      HIS  89   3.150   2.051 -14.220
  667    H    VAL  90           H        VAL  90   5.150   0.909 -11.529
  668    HA   VAL  90           HA       VAL  90   3.481   2.559  -9.723
  669    HB   VAL  90           HB       VAL  90   5.614   0.650  -8.704
  670   HG11  VAL  90          1HG1      VAL  90   3.303   2.069  -7.309
  671   HG12  VAL  90          2HG1      VAL  90   4.524   1.034  -6.538
  672   HG13  VAL  90          3HG1      VAL  90   4.998   2.577  -7.273
  673   HG21  VAL  90          3HG2      VAL  90   2.626   0.074  -8.838
  674   HG22  VAL  90          1HG2      VAL  90   3.932  -0.848  -9.612
  675   HG23  VAL  90          2HG2      VAL  90   3.801  -0.831  -7.855
  676    H    TYR  91           H        TYR  91   4.519   4.514  -9.236
  677    HA   TYR  91           HA       TYR  91   7.361   4.919  -9.620
  678    HD1  TYR  91           HD2      TYR  91   3.695   5.098 -11.399
  679    HD2  TYR  91           HD1      TYR  91   6.558   8.071 -12.676
  680    HE1  TYR  91           HE2      TYR  91   1.869   6.475 -12.278
  681    HE2  TYR  91           HE1      TYR  91   4.732   9.427 -13.627
  682    HH   TYR  91           HH       TYR  91   2.424   9.564 -14.042
  683    HB2  TYR  91           2HB      TYR  91   7.335   6.232 -11.557
  684    HB3  TYR  91           3HB      TYR  91   6.506   4.767 -11.993
  685    H    GLY  92           H        GLY  92   7.503   7.639  -9.871
  686    HA2  GLY  92           2HA      GLY  92   7.085   9.651  -8.892
  687    HA3  GLY  92           1HA      GLY  92   5.483   9.071  -8.417
  688    H    TYR  93           H        TYR  93   6.200  10.529  -6.519
  689    HA   TYR  93           HA       TYR  93   6.926   8.799  -4.316
  690    HD1  TYR  93           HD2      TYR  93   8.399  12.862  -4.119
  691    HD2  TYR  93           HD1      TYR  93   9.968   9.997  -6.936
  692    HE1  TYR  93           HE2      TYR  93   9.421  14.703  -5.418
  693    HE2  TYR  93           HE1      TYR  93  11.001  11.822  -8.234
  694    HH   TYR  93           HH       TYR  93  11.406  14.113  -8.362
  695    HB2  TYR  93           2HB      TYR  93   8.770  10.363  -3.542
  696    HB3  TYR  93           3HB      TYR  93   9.142   9.263  -4.844
  697    H    SER  94           H        SER  94   6.420   9.729  -2.281
  698    HA   SER  94           HA       SER  94   4.534  11.981  -2.253
  699    HG   SER  94           HG       SER  94   4.071  12.364   0.310
  700    HB2  SER  94           2HB      SER  94   4.112  10.205  -0.685
  701    HB3  SER  94           3HB      SER  94   5.797  10.147  -0.186
  702    H    MET  95           H        MET  95   5.060  13.875  -0.729
  703    HA   MET  95           HA       MET  95   7.989  14.516  -0.805
  704    HB2  MET  95           2HB      MET  95   7.441  16.868  -0.892
  705    HB3  MET  95           3HB      MET  95   6.858  16.001  -2.317
  706    HG2  MET  95           2HG      MET  95   4.577  16.009  -1.440
  707    HG3  MET  95           3HG      MET  95   5.119  16.700   0.079
  708    HE1  MET  95           3HE      MET  95   6.162  17.754  -3.682
  709    HE2  MET  95           1HE      MET  95   4.437  17.316  -3.730
  710    HE3  MET  95           2HE      MET  95   4.937  19.005  -3.963
  711    H    ALA  96           H        ALA  96   4.968  14.397   1.162
  712    HA   ALA  96           HA       ALA  96   6.369  15.427   3.514
  713    HB1  ALA  96           3HB      ALA  96   3.966  15.623   3.414
  714    HB2  ALA  96           1HB      ALA  96   3.785  13.871   3.185
  715    HB3  ALA  96           2HB      ALA  96   4.388  14.510   4.729
  716    H    TYR  97           H        TYR  97   5.988  12.262   1.965
  717    HA   TYR  97           HA       TYR  97   7.458  10.975   4.220
  718    HD1  TYR  97           HD2      TYR  97   5.639  10.403   6.146
  719    HD2  TYR  97           HD1      TYR  97   3.385  11.136   2.539
  720    HE1  TYR  97           HE2      TYR  97   3.856  11.492   7.478
  721    HE2  TYR  97           HE1      TYR  97   1.589  12.143   3.848
  722    HH   TYR  97           HH       TYR  97   0.905  12.889   5.981
  723    HB2  TYR  97           2HB      TYR  97   5.335   9.724   2.459
  724    HB3  TYR  97           3HB      TYR  97   6.033   9.074   3.932
  725    H    GLY  98           H        GLY  98   7.754  11.704   0.904
  726    HA2  GLY  98           2HA      GLY  98   9.523  11.232  -0.479
  727    HA3  GLY  98           1HA      GLY  98  10.207  10.214   0.784
  728    HA   PRO  99           HA       PRO  99   8.679   7.525  -2.780
  729    HB2  PRO  99           2HB      PRO  99  11.110   6.309  -3.324
  730    HB3  PRO  99           3HB      PRO  99  10.541   7.781  -4.139
  731    HG2  PRO  99           2HG      PRO  99  12.448   7.551  -1.811
  732    HG3  PRO  99           3HG      PRO  99  12.571   8.609  -3.251
  733    HD2  PRO  99           2HD      PRO  99  11.668   9.512  -0.838
  734    HD3  PRO  99           3HD      PRO  99  11.000  10.131  -2.377
  735    H    ALA 100           H        ALA 100   7.937   5.528  -2.260
  736    HA   ALA 100           HA       ALA 100   8.779   4.140   0.196
  737    HB1  ALA 100           3HB      ALA 100   6.400   4.087  -0.603
  738    HB2  ALA 100           1HB      ALA 100   6.962   3.365  -2.121
  739    HB3  ALA 100           2HB      ALA 100   7.109   2.463  -0.602
  740    H    GLN 101           H        GLN 101   9.341   1.745  -0.053
  741    HA   GLN 101           HA       GLN 101  11.394   1.283  -2.126
  742    HB2  GLN 101           2HB      GLN 101  10.320  -0.418   0.162
  743    HB3  GLN 101           3HB      GLN 101  11.461  -1.015  -1.055
  744    HG2  GLN 101           2HG      GLN 101  13.027   0.828  -0.427
  745    HG3  GLN 101           3HG      GLN 101  11.927   1.254   0.903
  746   HE21  GLN 101          2HE2      GLN 101  11.619  -0.357   2.654
  747   HE22  GLN 101          1HE2      GLN 101  12.822  -1.592   2.922
  748    H    HIS 102           H        HIS 102   9.880   1.653  -3.889
  749    HA   HIS 102           HA       HIS 102   7.475   0.361  -4.258
  750    HD1  HIS 102           HD1      HIS 102   9.511   4.033  -5.719
  751    HD2  HIS 102           HD2      HIS 102   5.861   2.063  -4.960
  752    HE1  HIS 102           HE1      HIS 102   7.926   5.769  -4.770
  753    HB2  HIS 102           2HB      HIS 102   9.480   1.387  -6.282
  754    HB3  HIS 102           3HB      HIS 102   7.849   0.853  -6.710
  755    H    ALA 103           H        ALA 103  10.464  -1.193  -4.287
  756    HA   ALA 103           HA       ALA 103   9.987  -3.446  -6.004
  757    HB1  ALA 103           3HB      ALA 103  12.229  -2.846  -5.127
  758    HB2  ALA 103           1HB      ALA 103  11.669  -3.101  -3.458
  759    HB3  ALA 103           2HB      ALA 103  11.772  -4.473  -4.584
  760    H    ILE 104           H        ILE 104   9.142  -2.666  -2.591
  761    HA   ILE 104           HA       ILE 104   8.158  -5.297  -1.929
  762    HB   ILE 104           HB       ILE 104   7.466  -2.570  -0.743
  763   HG12  ILE 104          2HG1      ILE 104   9.616  -4.536   0.174
  764   HG13  ILE 104          3HG1      ILE 104   9.926  -3.024  -0.677
  765   HG21  ILE 104          1HG2      ILE 104   7.225  -5.363   0.472
  766   HG22  ILE 104          2HG2      ILE 104   6.771  -3.832   1.258
  767   HG23  ILE 104          3HG2      ILE 104   5.876  -4.388  -0.146
  768   HD11  ILE 104          3HD1      ILE 104   8.788  -1.783   1.199
  769   HD12  ILE 104          1HD1      ILE 104   8.805  -3.308   2.122
  770   HD13  ILE 104          2HD1      ILE 104  10.326  -2.568   1.596
  771    H    SER 105           H        SER 105   6.676  -2.197  -3.094
  772    HA   SER 105           HA       SER 105   4.041  -2.994  -3.098
  773    HG   SER 105           HG       SER 105   5.015   0.378  -3.256
  774    HB2  SER 105           2HB      SER 105   5.080  -1.163  -5.255
  775    HB3  SER 105           3HB      SER 105   3.643  -1.009  -4.227
  776    H    THR 106           H        THR 106   6.437  -3.281  -5.880
  777    HA   THR 106           HA       THR 106   4.433  -4.335  -7.593
  778    HB   THR 106           HB       THR 106   6.467  -5.183  -8.908
  779    HG1  THR 106           1HG      THR 106   8.372  -4.936  -8.038
  780   HG21  THR 106          3HG2      THR 106   5.253  -3.058  -9.273
  781   HG22  THR 106          1HG2      THR 106   6.336  -2.239  -8.131
  782   HG23  THR 106          2HG2      THR 106   6.976  -2.933  -9.642
  783    H    GLU 107           H        GLU 107   6.889  -6.088  -5.566
  784    HA   GLU 107           HA       GLU 107   6.110  -8.632  -6.514
  785    HB2  GLU 107           2HB      GLU 107   7.280  -7.792  -3.833
  786    HB3  GLU 107           3HB      GLU 107   7.095  -9.472  -4.339
  787    HG2  GLU 107           2HG      GLU 107   8.774  -7.375  -5.787
  788    HG3  GLU 107           3HG      GLU 107   9.390  -8.629  -4.721
  789    H    LYS 108           H        LYS 108   4.740  -6.677  -3.830
  790    HA   LYS 108           HA       LYS 108   2.852  -8.689  -3.002
  791    HB2  LYS 108           2HB      LYS 108   2.916  -5.654  -2.711
  792    HB3  LYS 108           3HB      LYS 108   1.642  -6.680  -2.040
  793    HG2  LYS 108           2HG      LYS 108   3.248  -7.942  -0.712
  794    HG3  LYS 108           3HG      LYS 108   4.578  -6.960  -1.329
  795    HD2  LYS 108           2HD      LYS 108   3.656  -4.944  -0.341
  796    HD3  LYS 108           3HD      LYS 108   2.177  -5.774   0.158
  797    HE2  LYS 108           2HE      LYS 108   4.897  -6.751   1.082
  798    HE3  LYS 108           3HE      LYS 108   4.100  -5.404   1.909
  799    HZ1  LYS 108           3HZ      LYS 108   2.459  -6.753   2.708
  800    HZ2  LYS 108           1HZ      LYS 108   2.502  -7.816   1.492
  801    HZ3  LYS 108           2HZ      LYS 108   3.667  -7.859   2.665
  802    H    ILE 109           H        ILE 109   2.499  -5.892  -5.298
  803    HA   ILE 109           HA       ILE 109  -0.258  -6.451  -5.791
  804    HB   ILE 109           HB       ILE 109   1.768  -4.914  -7.464
  805   HG12  ILE 109          2HG1      ILE 109  -0.419  -3.730  -5.685
  806   HG13  ILE 109          3HG1      ILE 109   1.154  -4.091  -5.031
  807   HG21  ILE 109          1HG2      ILE 109  -1.290  -4.691  -7.572
  808   HG22  ILE 109          2HG2      ILE 109  -0.115  -3.879  -8.623
  809   HG23  ILE 109          3HG2      ILE 109  -0.362  -5.615  -8.752
  810   HD11  ILE 109          3HD1      ILE 109   2.210  -2.615  -6.775
  811   HD12  ILE 109          1HD1      ILE 109   0.578  -2.153  -7.311
  812   HD13  ILE 109          2HD1      ILE 109   1.116  -1.765  -5.671
  813    H    LYS 110           H        LYS 110   2.741  -7.606  -7.469
  814    HA   LYS 110           HA       LYS 110   1.432  -9.058  -9.554
  815    HB2  LYS 110           2HB      LYS 110   3.988  -9.707  -8.024
  816    HB3  LYS 110           3HB      LYS 110   3.456 -10.554  -9.474
  817    HG2  LYS 110           2HG      LYS 110   3.831  -8.657 -10.882
  818    HG3  LYS 110           3HG      LYS 110   4.128  -7.592  -9.500
  819    HD2  LYS 110           2HD      LYS 110   6.039  -9.080  -8.819
  820    HD3  LYS 110           3HD      LYS 110   5.801 -10.015 -10.305
  821    HE2  LYS 110           2HE      LYS 110   6.329  -8.011 -11.653
  822    HE3  LYS 110           3HE      LYS 110   6.445  -7.038 -10.185
  823    HZ1  LYS 110           3HZ      LYS 110   8.286  -8.507  -9.470
  824    HZ2  LYS 110           1HZ      LYS 110   8.237  -9.276 -10.917
  825    HZ3  LYS 110           2HZ      LYS 110   8.631  -7.693 -10.861
  826    H    ALA 111           H        ALA 111   2.380 -10.081  -6.205
  827    HA   ALA 111           HA       ALA 111   1.419 -12.728  -6.459
  828    HB1  ALA 111           3HB      ALA 111   2.958 -11.991  -4.675
  829    HB2  ALA 111           1HB      ALA 111   1.666 -11.005  -3.951
  830    HB3  ALA 111           2HB      ALA 111   1.517 -12.772  -3.997
  831    H    LYS 112           H        LYS 112  -0.264  -9.737  -5.379
  832    HA   LYS 112           HA       LYS 112  -2.712 -11.046  -4.664
  833    HB2  LYS 112           2HB      LYS 112  -2.011  -8.751  -3.935
  834    HB3  LYS 112           3HB      LYS 112  -2.250  -8.186  -5.589
  835    HG2  LYS 112           2HG      LYS 112  -4.204  -7.568  -4.445
  836    HG3  LYS 112           3HG      LYS 112  -4.669  -8.972  -5.398
  837    HD2  LYS 112           2HD      LYS 112  -4.347 -10.373  -3.287
  838    HD3  LYS 112           3HD      LYS 112  -4.153  -8.860  -2.400
  839    HE2  LYS 112           2HE      LYS 112  -6.589  -9.759  -4.016
  840    HE3  LYS 112           3HE      LYS 112  -6.456  -9.728  -2.259
  841    HZ1  LYS 112           3HZ      LYS 112  -6.219  -7.278  -2.422
  842    HZ2  LYS 112           1HZ      LYS 112  -6.515  -7.354  -4.039
  843    HZ3  LYS 112           2HZ      LYS 112  -7.658  -7.824  -2.976
  844    H    TYR 113           H        TYR 113  -1.541  -9.685  -7.777
  845    HA   TYR 113           HA       TYR 113  -4.033 -10.683  -9.085
  846    HD1  TYR 113           HD2      TYR 113  -6.027  -9.111  -8.764
  847    HD2  TYR 113           HD1      TYR 113  -2.618  -6.572  -8.045
  848    HE1  TYR 113           HE2      TYR 113  -7.306  -7.892  -7.026
  849    HE2  TYR 113           HE1      TYR 113  -3.890  -5.327  -6.330
  850    HH   TYR 113           HH       TYR 113  -5.917  -5.138  -5.184
  851    HB2  TYR 113           2HB      TYR 113  -2.492  -8.158  -9.739
  852    HB3  TYR 113           3HB      TYR 113  -3.984  -8.715 -10.484
  853    HA   PRO 114           HA       PRO 114  -0.236 -12.514 -11.077
  854    HB2  PRO 114           2HB      PRO 114  -1.007 -15.147 -11.179
  855    HB3  PRO 114           3HB      PRO 114  -0.266 -14.389  -9.737
  856    HG2  PRO 114           2HG      PRO 114  -3.217 -14.817 -10.305
  857    HG3  PRO 114           3HG      PRO 114  -2.307 -15.224  -8.813
  858    HD2  PRO 114           2HD      PRO 114  -3.738 -12.923  -9.027
  859    HD3  PRO 114           3HD      PRO 114  -2.168 -12.959  -8.171
  860    H    ASP 115           H        ASP 115  -3.618 -12.357 -11.868
  861    HA   ASP 115           HA       ASP 115  -3.470 -13.295 -14.594
  862    HB2  ASP 115           2HB      ASP 115  -5.567 -13.087 -13.264
  863    HB3  ASP 115           3HB      ASP 115  -5.386 -11.331 -13.281
  864    H    TYR 116           H        TYR 116  -2.046 -10.617 -13.070
  865    HA   TYR 116           HA       TYR 116  -1.665  -9.137 -15.619
  866    HD1  TYR 116           HD1      TYR 116  -4.559  -8.762 -12.826
  867    HD2  TYR 116           HD2      TYR 116  -2.931  -6.372 -16.029
  868    HE1  TYR 116           HE1      TYR 116  -6.853  -8.218 -13.575
  869    HE2  TYR 116           HE2      TYR 116  -5.221  -5.824 -16.792
  870    HH   TYR 116           HH       TYR 116  -8.159  -7.071 -15.131
  871    HB2  TYR 116           2HB      TYR 116  -2.173  -8.026 -12.823
  872    HB3  TYR 116           3HB      TYR 116  -1.553  -7.071 -14.151
  873    H    GLU 117           H        GLU 117   0.289  -7.494 -14.979
  874    HA   GLU 117           HA       GLU 117   2.323  -8.770 -13.313
  875    HB2  GLU 117           2HB      GLU 117   2.733  -9.636 -15.609
  876    HB3  GLU 117           3HB      GLU 117   2.831  -7.979 -16.221
  877    HG2  GLU 117           2HG      GLU 117   4.832  -7.544 -14.939
  878    HG3  GLU 117           3HG      GLU 117   4.631  -9.030 -13.997
  879    H    VAL 118           H        VAL 118   4.024  -7.089 -12.830
  880    HA   VAL 118           HA       VAL 118   2.999  -4.338 -12.992
  881    HB   VAL 118           HB       VAL 118   3.921  -5.475 -10.355
  882   HG11  VAL 118          1HG1      VAL 118   1.908  -3.265 -10.878
  883   HG12  VAL 118          2HG1      VAL 118   2.768  -3.626  -9.381
  884   HG13  VAL 118          3HG1      VAL 118   3.639  -2.973 -10.785
  885   HG21  VAL 118          3HG2      VAL 118   0.995  -5.544 -11.202
  886   HG22  VAL 118          1HG2      VAL 118   2.021  -6.964 -10.919
  887   HG23  VAL 118          2HG2      VAL 118   1.671  -5.888  -9.592
  888    H    THR 119           H        THR 119   4.793  -2.874 -13.088
  889    HA   THR 119           HA       THR 119   7.410  -3.871 -12.118
  890    HB   THR 119           HB       THR 119   8.498  -2.684 -14.058
  891    HG1  THR 119           1HG      THR 119   7.364  -2.224 -15.817
  892   HG21  THR 119          3HG2      THR 119   8.426  -5.115 -13.942
  893   HG22  THR 119          1HG2      THR 119   6.833  -5.146 -14.719
  894   HG23  THR 119          2HG2      THR 119   8.254  -4.566 -15.619
  895    H    TRP 120           H        TRP 120   8.984  -1.839 -12.052
  896    HA   TRP 120           HA       TRP 120   7.509   0.612 -11.509
  897    HD1  TRP 120           HD1      TRP 120   9.159  -2.789  -9.242
  898    HE1  TRP 120           HE1      TRP 120  11.420  -3.185  -8.158
  899    HE3  TRP 120           HE3      TRP 120  10.645   2.099  -8.702
  900    HZ2  TRP 120           HZ2      TRP 120  13.586  -1.591  -7.079
  901    HZ3  TRP 120           HZ3      TRP 120  12.808   2.604  -7.603
  902    HH2  TRP 120           HH2      TRP 120  14.279   0.786  -6.790
  903    HB2  TRP 120           2HB      TRP 120   8.407   0.984  -9.323
  904    HB3  TRP 120           3HB      TRP 120   7.552  -0.538  -9.300
  905    H    ALA 121           H        ALA 121   8.830   2.438 -11.435
  906    HA   ALA 121           HA       ALA 121  11.696   2.342 -11.851
  907    HB1  ALA 121           3HB      ALA 121  10.816   2.043 -14.210
  908    HB2  ALA 121           1HB      ALA 121   9.833   3.499 -14.007
  909    HB3  ALA 121           2HB      ALA 121  11.606   3.623 -13.981
  910    H    ASN 122           H        ASN 122  12.306   4.133 -10.529
  911    HA   ASN 122           HA       ASN 122  10.054   5.517  -9.364
  912    HB2  ASN 122           2HB      ASN 122  12.288   4.616  -8.224
  913    HB3  ASN 122           3HB      ASN 122  12.811   6.279  -8.478
  914   HD21  ASN 122          2HD2      ASN 122  10.739   7.869  -7.976
  915   HD22  ASN 122          1HD2      ASN 122   9.749   7.444  -6.582
  916    H    ASP 123           H        ASP 123  10.539   6.265 -12.106
  917    HA   ASP 123           HA       ASP 123  11.518   9.023 -12.212
  918    HB2  ASP 123           2HB      ASP 123  11.364   7.281 -14.154
  919    HB3  ASP 123           3HB      ASP 123   9.636   7.682 -14.157
  920    H    GLY 124           H        GLY 124   9.642  10.509 -13.275
  921    HA2  GLY 124           2HA      GLY 124   7.458  11.444 -13.063
  922    HA3  GLY 124           1HA      GLY 124   7.084  10.305 -11.766
  923    H    TYR 125           H        TYR 125   6.542  11.702 -10.131
  924    HA   TYR 125           HA       TYR 125   8.592  13.454  -8.971
  925    HD1  TYR 125           HD1      TYR 125   9.189  16.075  -9.149
  926    HD2  TYR 125           HD2      TYR 125   5.040  15.744  -8.000
  927    HE1  TYR 125           HE1      TYR 125   9.489  17.946  -7.561
  928    HE2  TYR 125           HE2      TYR 125   5.328  17.623  -6.415
  929    HH   TYR 125           HH       TYR 125   8.468  19.324  -5.981
  930    HB2  TYR 125           2HB      TYR 125   7.407  14.903 -10.599
  931    HB3  TYR 125           3HB      TYR 125   5.867  14.480  -9.863
  Start of MODEL    8
    1    HA   MET   1           HA       MET   1 -13.293 -12.958  23.889
    2    H1   MET   1           H1       MET   1 -12.147 -15.462  24.372
    3    H2   MET   1           H2       MET   1 -13.672 -14.939  24.647
    4    H3   MET   1           H3       MET   1 -12.517 -14.712  25.788
    5    HB2  MET   1           2HB      MET   1 -11.547 -11.497  24.641
    6    HB3  MET   1           3HB      MET   1 -12.209 -12.348  26.025
    7    HG2  MET   1           2HG      MET   1 -10.236 -13.859  26.043
    8    HG3  MET   1           3HG      MET   1  -9.590 -13.035  24.618
    9    HE1  MET   1           3HE      MET   1  -7.931 -13.538  27.277
   10    HE2  MET   1           1HE      MET   1  -7.285 -12.718  25.836
   11    HE3  MET   1           2HE      MET   1  -7.105 -11.973  27.440
   12    H    ALA   2           H        ALA   2 -11.813 -11.744  22.276
   13    HA   ALA   2           HA       ALA   2  -9.812 -13.367  20.896
   14    HB1  ALA   2           3HB      ALA   2 -11.924 -14.066  19.782
   15    HB2  ALA   2           1HB      ALA   2 -12.340 -12.360  19.494
   16    HB3  ALA   2           2HB      ALA   2 -10.928 -13.085  18.696
   17    H    VAL   3           H        VAL   3  -8.926 -11.892  19.026
   18    HA   VAL   3           HA       VAL   3  -9.355  -9.064  19.296
   19    HB   VAL   3           HB       VAL   3  -7.755  -9.686  21.185
   20   HG11  VAL   3          1HG1      VAL   3  -5.693 -10.058  18.992
   21   HG12  VAL   3          2HG1      VAL   3  -5.401 -10.016  20.734
   22   HG13  VAL   3          3HG1      VAL   3  -6.344 -11.342  20.032
   23   HG21  VAL   3          3HG2      VAL   3  -6.825  -7.638  19.166
   24   HG22  VAL   3          1HG2      VAL   3  -8.024  -7.420  20.441
   25   HG23  VAL   3          2HG2      VAL   3  -6.334  -7.736  20.868
   26    H    ALA   4           H        ALA   4  -7.876  -7.943  17.523
   27    HA   ALA   4           HA       ALA   4  -8.226  -9.440  15.075
   28    HB1  ALA   4           3HB      ALA   4  -8.568  -6.995  15.191
   29    HB2  ALA   4           1HB      ALA   4  -6.849  -6.760  15.576
   30    HB3  ALA   4           2HB      ALA   4  -7.328  -7.413  14.002
   31    H    ASP   5           H        ASP   5  -6.190  -9.277  13.428
   32    HA   ASP   5           HA       ASP   5  -3.603  -9.817  14.643
   33    HB2  ASP   5           2HB      ASP   5  -4.754 -12.045  14.812
   34    HB3  ASP   5           3HB      ASP   5  -5.050 -12.005  13.074
   35    H    LEU   6           H        LEU   6  -1.932  -9.765  12.953
   36    HA   LEU   6           HA       LEU   6  -2.386  -7.960  10.860
   37    HG   LEU   6           HG       LEU   6  -0.115  -8.306  12.937
   38    HB2  LEU   6           2HB      LEU   6  -0.244 -10.097  11.223
   39    HB3  LEU   6           3HB      LEU   6  -0.203  -8.880   9.964
   40   HD11  LEU   6          1HD1      LEU   6   2.037  -8.232  10.781
   41   HD12  LEU   6          2HD1      LEU   6   2.254  -7.642  12.431
   42   HD13  LEU   6          3HD1      LEU   6   1.934  -9.363  12.134
   43   HD21  LEU   6          3HD2      LEU   6   0.034  -6.428  10.548
   44   HD22  LEU   6          1HD2      LEU   6  -1.125  -6.396  11.900
   45   HD23  LEU   6          2HD2      LEU   6   0.561  -5.985  12.178
   46    H    ALA   7           H        ALA   7  -2.717 -11.524  10.849
   47    HA   ALA   7           HA       ALA   7  -2.720 -11.858   8.042
   48    HB1  ALA   7           3HB      ALA   7  -2.453 -13.706   9.661
   49    HB2  ALA   7           1HB      ALA   7  -4.140 -13.489  10.190
   50    HB3  ALA   7           2HB      ALA   7  -3.786 -14.024   8.535
   51    H    LEU   8           H        LEU   8  -5.190 -10.509  10.160
   52    HA   LEU   8           HA       LEU   8  -7.441 -11.131   8.403
   53    HG   LEU   8           HG       LEU   8  -6.891 -11.240  11.643
   54    HB2  LEU   8           2HB      LEU   8  -7.218  -9.036  10.603
   55    HB3  LEU   8           3HB      LEU   8  -8.697  -9.589   9.830
   56   HD11  LEU   8          1HD1      LEU   8  -9.746 -10.249  12.032
   57   HD12  LEU   8          2HD1      LEU   8  -8.756 -11.147  13.204
   58   HD13  LEU   8          3HD1      LEU   8  -8.306  -9.496  12.734
   59   HD21  LEU   8          3HD2      LEU   8  -9.473 -12.054  10.237
   60   HD22  LEU   8          1HD2      LEU   8  -7.857 -12.748   9.972
   61   HD23  LEU   8          2HD2      LEU   8  -8.667 -12.980  11.522
   62    H    ILE   9           H        ILE   9  -4.973  -8.618   8.569
   63    HA   ILE   9           HA       ILE   9  -6.530  -6.601   7.220
   64    HB   ILE   9           HB       ILE   9  -3.513  -6.695   7.150
   65   HG12  ILE   9          2HG1      ILE   9  -5.048  -5.578   9.546
   66   HG13  ILE   9          3HG1      ILE   9  -4.261  -7.155   9.575
   67   HG21  ILE   9          1HG2      ILE   9  -5.553  -4.440   7.326
   68   HG22  ILE   9          2HG2      ILE   9  -3.802  -4.207   7.280
   69   HG23  ILE   9          3HG2      ILE   9  -4.611  -4.928   5.899
   70   HD11  ILE   9          3HD1      ILE   9  -2.078  -6.202   9.250
   71   HD12  ILE   9          1HD1      ILE   9  -2.748  -4.568   9.157
   72   HD13  ILE   9          2HD1      ILE   9  -2.889  -5.488  10.662
   73    HA   PRO  10           HA       PRO  10  -5.733  -8.471   3.133
   74    HB2  PRO  10           2HB      PRO  10  -6.337  -6.291   1.553
   75    HB3  PRO  10           3HB      PRO  10  -7.548  -7.426   2.241
   76    HG2  PRO  10           2HG      PRO  10  -6.733  -4.705   3.256
   77    HG3  PRO  10           3HG      PRO  10  -8.378  -5.398   3.130
   78    HD2  PRO  10           2HD      PRO  10  -6.977  -5.368   5.472
   79    HD3  PRO  10           3HD      PRO  10  -8.070  -6.718   5.055
   80    H    ASP  11           H        ASP  11  -3.773  -8.582   2.084
   81    HA   ASP  11           HA       ASP  11  -1.627  -6.945   3.054
   82    HB2  ASP  11           2HB      ASP  11  -1.570  -9.397   2.340
   83    HB3  ASP  11           3HB      ASP  11  -1.545  -8.826   0.666
   84    H    VAL  12           H        VAL  12  -3.549  -6.930   0.095
   85    HA   VAL  12           HA       VAL  12  -2.484  -4.266  -0.614
   86    HB   VAL  12           HB       VAL  12  -3.032  -6.493  -2.612
   87   HG11  VAL  12          1HG1      VAL  12  -1.972  -3.674  -3.082
   88   HG12  VAL  12          2HG1      VAL  12  -2.164  -4.944  -4.311
   89   HG13  VAL  12          3HG1      VAL  12  -3.587  -4.270  -3.525
   90   HG21  VAL  12          3HG2      VAL  12  -0.365  -5.310  -1.778
   91   HG22  VAL  12          1HG2      VAL  12  -0.909  -6.987  -1.565
   92   HG23  VAL  12          2HG2      VAL  12  -0.627  -6.358  -3.187
   93    H    ASP  13           H        ASP  13  -4.219  -2.899  -1.156
   94    HA   ASP  13           HA       ASP  13  -6.736  -4.036  -2.025
   95    HB2  ASP  13           2HB      ASP  13  -7.033  -4.019   0.473
   96    HB3  ASP  13           3HB      ASP  13  -6.716  -2.286   0.470
   97    H    ILE  14           H        ILE  14  -7.512  -2.686  -3.545
   98    HA   ILE  14           HA       ILE  14  -6.911   0.154  -3.649
   99    HB   ILE  14           HB       ILE  14  -6.117   0.013  -5.994
  100   HG12  ILE  14          2HG1      ILE  14  -5.680  -2.968  -5.530
  101   HG13  ILE  14          3HG1      ILE  14  -7.003  -2.304  -6.492
  102   HG21  ILE  14          1HG2      ILE  14  -4.202  -1.520  -4.188
  103   HG22  ILE  14          2HG2      ILE  14  -3.798  -0.439  -5.533
  104   HG23  ILE  14          3HG2      ILE  14  -4.509   0.219  -4.062
  105   HD11  ILE  14          3HD1      ILE  14  -5.347  -1.255  -8.028
  106   HD12  ILE  14          1HD1      ILE  14  -4.042  -2.080  -7.135
  107   HD13  ILE  14          2HD1      ILE  14  -5.275  -3.023  -7.984
  108    H    ASP  15           H        ASP  15  -8.400   1.147  -5.293
  109    HA   ASP  15           HA       ASP  15 -10.446  -0.577  -6.476
  110    HB2  ASP  15           2HB      ASP  15 -11.306  -0.295  -4.177
  111    HB3  ASP  15           3HB      ASP  15 -11.250   1.457  -4.361
  112    H    SER  16           H        SER  16  -8.536   0.775  -7.755
  113    HA   SER  16           HA       SER  16  -9.935   2.920  -9.214
  114    HG   SER  16           HG       SER  16  -7.936   4.857  -6.935
  115    HB2  SER  16           2HB      SER  16  -7.141   3.159  -8.043
  116    HB3  SER  16           3HB      SER  16  -7.919   4.343  -9.114
  117    H    ASP  17           H        ASP  17  -8.477   3.551 -11.140
  118    HA   ASP  17           HA       ASP  17  -6.626   1.554 -12.153
  119    HB2  ASP  17           2HB      ASP  17  -8.834   0.535 -12.658
  120    HB3  ASP  17           3HB      ASP  17  -9.353   2.032 -13.438
  121    H    GLY  18           H        GLY  18  -5.879   2.352 -14.365
  122    HA2  GLY  18           2HA      GLY  18  -5.353   3.956 -15.930
  123    HA3  GLY  18           1HA      GLY  18  -6.484   5.080 -15.165
  124    H    VAL  19           H        VAL  19  -5.731   5.967 -12.977
  125    HA   VAL  19           HA       VAL  19  -2.854   6.203 -12.495
  126    HB   VAL  19           HB       VAL  19  -4.619   8.559 -13.342
  127   HG11  VAL  19          1HG1      VAL  19  -1.851   8.485 -12.111
  128   HG12  VAL  19          2HG1      VAL  19  -2.503   9.924 -12.938
  129   HG13  VAL  19          3HG1      VAL  19  -3.280   9.315 -11.482
  130   HG21  VAL  19          3HG2      VAL  19  -2.097   7.420 -14.613
  131   HG22  VAL  19          1HG2      VAL  19  -3.717   7.535 -15.334
  132   HG23  VAL  19          2HG2      VAL  19  -2.803   9.002 -15.029
  133    H    PHE  20           H        PHE  20  -2.693   6.248 -10.219
  134    HA   PHE  20           HA       PHE  20  -4.347   8.033  -8.696
  135    HD1  PHE  20           HD2      PHE  20  -5.325   4.419 -10.340
  136    HD2  PHE  20           HD1      PHE  20  -4.234   4.398  -6.172
  137    HE1  PHE  20           HE2      PHE  20  -4.886   1.983 -10.461
  138    HE2  PHE  20           HE1      PHE  20  -3.852   1.957  -6.283
  139    HZ   PHE  20           HZ       PHE  20  -4.148   0.746  -8.436
  140    HB2  PHE  20           2HB      PHE  20  -5.237   6.364  -7.110
  141    HB3  PHE  20           3HB      PHE  20  -5.999   6.300  -8.675
  142    H    LYS  21           H        LYS  21  -3.610   8.126  -6.380
  143    HA   LYS  21           HA       LYS  21  -0.723   7.648  -6.190
  144    HB2  LYS  21           2HB      LYS  21  -2.661   8.732  -4.119
  145    HB3  LYS  21           3HB      LYS  21  -0.915   8.845  -4.112
  146    HG2  LYS  21           2HG      LYS  21  -2.787  10.303  -6.010
  147    HG3  LYS  21           3HG      LYS  21  -1.901  10.978  -4.643
  148    HD2  LYS  21           2HD      LYS  21   0.260  10.488  -5.780
  149    HD3  LYS  21           3HD      LYS  21  -0.623   9.791  -7.142
  150    HE2  LYS  21           2HE      LYS  21   0.023  12.017  -7.752
  151    HE3  LYS  21           3HE      LYS  21  -1.731  11.969  -7.570
  152    HZ1  LYS  21           3HZ      LYS  21  -1.501  13.067  -5.430
  153    HZ2  LYS  21           1HZ      LYS  21   0.143  13.027  -5.526
  154    HZ3  LYS  21           2HZ      LYS  21  -0.721  13.936  -6.564
  155    H    TYR  22           H        TYR  22   0.183   6.460  -4.322
  156    HA   TYR  22           HA       TYR  22  -1.600   4.694  -2.836
  157    HD1  TYR  22           HD2      TYR  22   1.944   4.304  -5.361
  158    HD2  TYR  22           HD1      TYR  22   0.442   1.557  -2.405
  159    HE1  TYR  22           HE2      TYR  22   4.270   3.764  -4.683
  160    HE2  TYR  22           HE1      TYR  22   2.754   0.995  -1.733
  161    HH   TYR  22           HH       TYR  22   4.983   1.509  -1.978
  162    HB2  TYR  22           2HB      TYR  22  -1.052   2.741  -3.840
  163    HB3  TYR  22           3HB      TYR  22  -0.510   3.695  -5.192
  164    H    VAL  23           H        VAL  23  -0.295   3.579  -1.047
  165    HA   VAL  23           HA       VAL  23   2.293   4.821  -0.443
  166    HB   VAL  23           HB       VAL  23   1.674   5.146   1.950
  167   HG11  VAL  23          1HG1      VAL  23   0.112   6.918   0.046
  168   HG12  VAL  23          2HG1      VAL  23   0.590   7.317   1.708
  169   HG13  VAL  23          3HG1      VAL  23   1.826   7.082   0.467
  170   HG21  VAL  23          3HG2      VAL  23  -1.208   4.885   1.009
  171   HG22  VAL  23          1HG2      VAL  23  -0.359   3.749   2.048
  172   HG23  VAL  23          2HG2      VAL  23  -0.666   5.400   2.620
  173    H    LEU  24           H        LEU  24   3.490   3.670   1.152
  174    HA   LEU  24           HA       LEU  24   2.857   0.754   1.232
  175    HG   LEU  24           HG       LEU  24   6.591   0.074   0.955
  176    HB2  LEU  24           2HB      LEU  24   4.955   1.707  -0.008
  177    HB3  LEU  24           3HB      LEU  24   5.568   2.108   1.571
  178   HD11  LEU  24          1HD1      LEU  24   4.320  -1.001   2.657
  179   HD12  LEU  24          2HD1      LEU  24   6.019  -1.507   2.596
  180   HD13  LEU  24          3HD1      LEU  24   5.599   0.052   3.311
  181   HD21  LEU  24          3HD2      LEU  24   3.845  -0.944   0.145
  182   HD22  LEU  24          1HD2      LEU  24   5.220  -0.545  -0.908
  183   HD23  LEU  24          2HD2      LEU  24   5.322  -1.925   0.180
  184    H    ILE  25           H        ILE  25   2.213   0.179   3.375
  185    HA   ILE  25           HA       ILE  25   3.050   2.033   5.573
  186    HB   ILE  25           HB       ILE  25   0.398   0.600   5.267
  187   HG12  ILE  25          2HG1      ILE  25   1.065   3.561   4.981
  188   HG13  ILE  25          3HG1      ILE  25   0.569   2.468   3.689
  189   HG21  ILE  25          1HG2      ILE  25   1.380   2.556   7.393
  190   HG22  ILE  25          2HG2      ILE  25  -0.257   1.860   7.306
  191   HG23  ILE  25          3HG2      ILE  25   1.101   0.817   7.625
  192   HD11  ILE  25          3HD1      ILE  25  -1.626   2.114   4.868
  193   HD12  ILE  25          1HD1      ILE  25  -1.164   3.406   6.005
  194   HD13  ILE  25          2HD1      ILE  25  -1.353   3.767   4.293
  195    H    ARG  26           H        ARG  26   4.366   1.106   6.945
  196    HA   ARG  26           HA       ARG  26   4.586  -1.816   7.270
  197    HE   ARG  26           HE       ARG  26   8.251   0.970   9.874
  198    HB2  ARG  26           2HB      ARG  26   6.535  -0.131   7.515
  199    HB3  ARG  26           3HB      ARG  26   5.715   0.471   8.956
  200    HG2  ARG  26           2HG      ARG  26   5.796  -2.147   9.629
  201    HG3  ARG  26           3HG      ARG  26   7.132  -2.149   8.481
  202    HD2  ARG  26           2HD      ARG  26   6.825  -0.452  10.994
  203    HD3  ARG  26           3HD      ARG  26   7.930  -1.806  10.779
  204   HH11  ARG  26          1HH2      ARG  26   9.504  -2.338   9.394
  205   HH12  ARG  26          2HH2      ARG  26  11.053  -1.784   8.878
  206   HH21  ARG  26          1HH1      ARG  26  10.140   1.658   9.234
  207   HH22  ARG  26          2HH1      ARG  26  11.460   0.599   8.760
  208    H    VAL  27           H        VAL  27   3.466  -2.882   8.949
  209    HA   VAL  27           HA       VAL  27   1.999  -1.259  10.930
  210    HB   VAL  27           HB       VAL  27   0.381  -1.602   9.245
  211   HG11  VAL  27          1HG1      VAL  27   0.956  -4.584   9.234
  212   HG12  VAL  27          2HG1      VAL  27  -0.370  -3.775   8.387
  213   HG13  VAL  27          3HG1      VAL  27   1.298  -3.444   7.915
  214   HG21  VAL  27          3HG2      VAL  27  -0.101  -3.658  11.434
  215   HG22  VAL  27          1HG2      VAL  27  -0.327  -1.902  11.583
  216   HG23  VAL  27          2HG2      VAL  27  -1.329  -2.833  10.458
  217    H    HIS  28           H        HIS  28   2.650  -1.910  12.853
  218    HA   HIS  28           HA       HIS  28   3.881  -4.561  13.281
  219    HD1  HIS  28           HD1      HIS  28   6.530  -4.016  13.804
  220    HD2  HIS  28           HD2      HIS  28   4.790  -0.264  14.628
  221    HE1  HIS  28           HE1      HIS  28   8.316  -2.270  13.321
  222    HB2  HIS  28           2HB      HIS  28   3.307  -2.299  15.235
  223    HB3  HIS  28           3HB      HIS  28   4.183  -3.794  15.579
  224    H    SER  29           H        SER  29   2.855  -6.108  14.500
  225    HA   SER  29           HA       SER  29  -0.042  -6.047  14.794
  226    HG   SER  29           HG       SER  29   0.117  -9.377  15.712
  227    HB2  SER  29           2HB      SER  29   1.584  -8.107  14.491
  228    HB3  SER  29           3HB      SER  29   1.846  -7.949  16.223
  229    H    ALA  30           H        ALA  30  -0.942  -4.841  16.375
  230    HA   ALA  30           HA       ALA  30   0.072  -5.084  19.084
  231    HB1  ALA  30           3HB      ALA  30   1.211  -2.998  18.341
  232    HB2  ALA  30           1HB      ALA  30  -0.353  -2.302  17.886
  233    HB3  ALA  30           2HB      ALA  30  -0.010  -2.662  19.584
  234    HA   PRO  31           HA       PRO  31  -4.454  -4.922  17.629
  235    HB2  PRO  31           2HB      PRO  31  -4.607  -7.728  18.738
  236    HB3  PRO  31           3HB      PRO  31  -5.369  -7.057  17.261
  237    HG2  PRO  31           2HG      PRO  31  -3.180  -8.637  17.067
  238    HG3  PRO  31           3HG      PRO  31  -3.245  -7.123  16.093
  239    HD2  PRO  31           2HD      PRO  31  -2.023  -7.530  18.855
  240    HD3  PRO  31           3HD      PRO  31  -1.222  -6.970  17.385
  241    H    ARG  32           H        ARG  32  -6.014  -4.130  18.955
  242    HA   ARG  32           HA       ARG  32  -6.616  -2.909  20.746
  243    HE   ARG  32           HE       ARG  32  -8.762  -6.222  24.082
  244    HB2  ARG  32           2HB      ARG  32  -7.902  -5.082  20.663
  245    HB3  ARG  32           3HB      ARG  32  -6.930  -5.637  22.033
  246    HG2  ARG  32           2HG      ARG  32  -7.897  -3.889  23.459
  247    HG3  ARG  32           3HG      ARG  32  -8.634  -3.101  22.057
  248    HD2  ARG  32           2HD      ARG  32 -10.296  -4.365  23.342
  249    HD3  ARG  32           3HD      ARG  32 -10.118  -4.994  21.705
  250   HH11  ARG  32          1HH2      ARG  32 -10.913  -6.677  21.261
  251   HH12  ARG  32          2HH2      ARG  32 -10.824  -8.415  21.358
  252   HH21  ARG  32          1HH1      ARG  32  -8.757  -8.544  24.167
  253   HH22  ARG  32          2HH1      ARG  32  -9.632  -9.436  22.955
  254    H    SER  33           H        SER  33  -3.708  -3.132  20.721
  255    HA   SER  33           HA       SER  33  -1.876  -2.869  21.936
  256    HG   SER  33           HG       SER  33  -3.334   0.283  22.834
  257    HB2  SER  33           2HB      SER  33  -3.684  -1.635  24.041
  258    HB3  SER  33           3HB      SER  33  -1.965  -1.308  23.771
  259    H    GLY  34           H        GLY  34  -3.452  -5.442  22.413
  260    HA2  GLY  34           2HA      GLY  34  -2.716  -6.161  25.187
  261    HA3  GLY  34           1HA      GLY  34  -3.723  -7.069  24.053
  262    H    ALA  35           H        ALA  35  -1.449  -6.484  21.971
  263    HA   ALA  35           HA       ALA  35   0.691  -8.288  22.930
  264    HB1  ALA  35           3HB      ALA  35  -0.970  -9.765  21.856
  265    HB2  ALA  35           1HB      ALA  35  -0.956  -8.759  20.400
  266    HB3  ALA  35           2HB      ALA  35   0.503  -9.655  20.874
  267    HA   PRO  36           HA       PRO  36   1.566  -4.350  20.511
  268    HB2  PRO  36           2HB      PRO  36   3.392  -3.141  22.173
  269    HB3  PRO  36           3HB      PRO  36   1.618  -3.000  22.351
  270    HG2  PRO  36           2HG      PRO  36   3.489  -4.891  23.806
  271    HG3  PRO  36           3HG      PRO  36   2.196  -3.859  24.497
  272    HD2  PRO  36           2HD      PRO  36   1.780  -6.490  23.962
  273    HD3  PRO  36           3HD      PRO  36   0.500  -5.273  23.679
  274    H    ALA  37           H        ALA  37   2.967  -4.295  18.916
  275    HA   ALA  37           HA       ALA  37   4.478  -4.989  17.445
  276    HB1  ALA  37           3HB      ALA  37   5.640  -3.127  18.564
  277    HB2  ALA  37           1HB      ALA  37   6.405  -4.303  19.673
  278    HB3  ALA  37           2HB      ALA  37   6.761  -4.355  17.928
  279    H    ALA  38           H        ALA  38   3.332  -7.067  18.454
  280    HA   ALA  38           HA       ALA  38   5.074  -9.166  19.371
  281    HB1  ALA  38           3HB      ALA  38   2.637  -9.285  19.605
  282    HB2  ALA  38           1HB      ALA  38   2.440  -9.241  17.841
  283    HB3  ALA  38           2HB      ALA  38   3.211 -10.644  18.615
  284    H    GLU  39           H        GLU  39   4.266  -7.823  16.213
  285    HA   GLU  39           HA       GLU  39   6.192  -9.416  14.721
  286    HB2  GLU  39           2HB      GLU  39   3.203  -9.667  14.113
  287    HB3  GLU  39           3HB      GLU  39   4.528 -10.385  13.196
  288    HG2  GLU  39           2HG      GLU  39   5.085 -11.752  15.258
  289    HG3  GLU  39           3HG      GLU  39   3.598 -11.123  15.992
  290    H    SER  40           H        SER  40   5.823  -8.690  12.247
  291    HA   SER  40           HA       SER  40   4.474  -6.095  11.993
  292    HG   SER  40           HG       SER  40   8.078  -5.453  12.708
  293    HB2  SER  40           2HB      SER  40   7.301  -6.433  10.975
  294    HB3  SER  40           3HB      SER  40   6.337  -4.961  11.025
  295    H    LYS  41           H        LYS  41   4.113  -5.497   9.808
  296    HA   LYS  41           HA       LYS  41   4.469  -7.420   7.614
  297    HB2  LYS  41           2HB      LYS  41   2.455  -8.258   8.541
  298    HB3  LYS  41           3HB      LYS  41   1.852  -6.656   8.957
  299    HG2  LYS  41           2HG      LYS  41   1.312  -6.182   6.629
  300    HG3  LYS  41           3HG      LYS  41   2.035  -7.734   6.118
  301    HD2  LYS  41           2HD      LYS  41   0.384  -8.910   7.568
  302    HD3  LYS  41           3HD      LYS  41  -0.334  -7.326   7.977
  303    HE2  LYS  41           2HE      LYS  41  -1.179  -6.988   5.842
  304    HE3  LYS  41           3HE      LYS  41  -0.110  -8.185   5.088
  305    HZ1  LYS  41           3HZ      LYS  41  -1.398  -9.931   5.974
  306    HZ2  LYS  41           1HZ      LYS  41  -2.201  -8.974   7.033
  307    HZ3  LYS  41           2HZ      LYS  41  -2.535  -8.869   5.451
  308    H    GLU  42           H        GLU  42   3.689  -6.263   5.556
  309    HA   GLU  42           HA       GLU  42   3.593  -3.313   5.834
  310    HB2  GLU  42           2HB      GLU  42   5.155  -4.869   3.723
  311    HB3  GLU  42           3HB      GLU  42   4.771  -3.161   3.665
  312    HG2  GLU  42           2HG      GLU  42   6.984  -3.221   4.393
  313    HG3  GLU  42           3HG      GLU  42   6.052  -2.858   5.836
  314    H    ILE  43           H        ILE  43   1.720  -2.631   4.972
  315    HA   ILE  43           HA       ILE  43   0.309  -4.334   2.984
  316    HB   ILE  43           HB       ILE  43  -1.752  -3.227   3.714
  317   HG12  ILE  43          2HG1      ILE  43  -0.078  -1.928   5.903
  318   HG13  ILE  43          3HG1      ILE  43  -0.895  -1.112   4.566
  319   HG21  ILE  43          1HG2      ILE  43  -0.314  -4.531   6.046
  320   HG22  ILE  43          2HG2      ILE  43  -2.053  -4.562   5.680
  321   HG23  ILE  43          3HG2      ILE  43  -0.920  -5.392   4.614
  322   HD11  ILE  43          3HD1      ILE  43  -3.102  -1.890   5.512
  323   HD12  ILE  43          1HD1      ILE  43  -2.215  -2.517   6.919
  324   HD13  ILE  43          2HD1      ILE  43  -2.197  -0.792   6.562
  325    H    VAL  44           H        VAL  44  -0.754  -3.323   1.268
  326    HA   VAL  44           HA       VAL  44   0.481  -0.745   0.377
  327    HB   VAL  44           HB       VAL  44  -0.522  -3.097  -1.276
  328   HG11  VAL  44          1HG1      VAL  44   1.276  -0.774  -2.055
  329   HG12  VAL  44          2HG1      VAL  44   0.754  -2.095  -3.113
  330   HG13  VAL  44          3HG1      VAL  44  -0.438  -0.943  -2.505
  331   HG21  VAL  44          3HG2      VAL  44   2.344  -2.497  -0.459
  332   HG22  VAL  44          1HG2      VAL  44   1.385  -3.922  -0.013
  333   HG23  VAL  44          2HG2      VAL  44   1.856  -3.675  -1.694
  334    H    ARG  45           H        ARG  45  -0.961   0.899  -0.026
  335    HA   ARG  45           HA       ARG  45  -3.866   0.285  -0.466
  336    HE   ARG  45           HE       ARG  45  -4.107  -1.220   0.903
  337    HB2  ARG  45           2HB      ARG  45  -2.635   2.529   1.218
  338    HB3  ARG  45           3HB      ARG  45  -4.341   2.387   0.840
  339    HG2  ARG  45           2HG      ARG  45  -2.753   0.466   2.600
  340    HG3  ARG  45           3HG      ARG  45  -3.774   1.789   3.119
  341    HD2  ARG  45           2HD      ARG  45  -5.276   0.038   3.343
  342    HD3  ARG  45           3HD      ARG  45  -5.658   0.546   1.701
  343   HH11  ARG  45          1HH1      ARG  45  -5.657  -1.739   4.075
  344   HH12  ARG  45          2HH1      ARG  45  -5.051  -3.356   4.213
  345   HH21  ARG  45          1HH2      ARG  45  -3.300  -3.233   1.143
  346   HH22  ARG  45          2HH2      ARG  45  -3.772  -4.274   2.475
  347    H    GLY  46           H        GLY  46  -4.808   1.689  -2.060
  348    HA2  GLY  46           2HA      GLY  46  -3.686   4.242  -2.597
  349    HA3  GLY  46           1HA      GLY  46  -3.226   3.120  -3.894
  350    H    TYR  47           H        TYR  47  -5.207   5.502  -3.588
  351    HA   TYR  47           HA       TYR  47  -7.346   4.299  -5.129
  352    HD1  TYR  47           HD2      TYR  47  -6.804   4.755  -1.000
  353    HD2  TYR  47           HD1      TYR  47  -9.438   2.500  -3.522
  354    HE1  TYR  47           HE2      TYR  47  -6.623   2.823   0.569
  355    HE2  TYR  47           HE1      TYR  47  -9.270   0.550  -1.987
  356    HH   TYR  47           HH       TYR  47  -8.335  -0.281  -0.023
  357    HB2  TYR  47           2HB      TYR  47  -8.142   5.849  -2.661
  358    HB3  TYR  47           3HB      TYR  47  -9.175   4.953  -3.765
  359    H    LYS  48           H        LYS  48  -8.801   6.145  -6.000
  360    HA   LYS  48           HA       LYS  48  -6.999   8.341  -6.734
  361    HB2  LYS  48           2HB      LYS  48  -8.434   7.091  -8.374
  362    HB3  LYS  48           3HB      LYS  48  -9.868   7.799  -7.618
  363    HG2  LYS  48           2HG      LYS  48  -9.085  10.061  -8.247
  364    HG3  LYS  48           3HG      LYS  48  -7.588   9.374  -8.912
  365    HD2  LYS  48           2HD      LYS  48  -8.914   8.077 -10.558
  366    HD3  LYS  48           3HD      LYS  48 -10.410   8.769  -9.925
  367    HE2  LYS  48           2HE      LYS  48  -8.118  10.357 -11.178
  368    HE3  LYS  48           3HE      LYS  48  -9.567   9.833 -12.037
  369    HZ1  LYS  48           3HZ      LYS  48 -10.894  11.199 -10.546
  370    HZ2  LYS  48           1HZ      LYS  48  -9.559  11.704  -9.742
  371    HZ3  LYS  48           2HZ      LYS  48  -9.777  12.106 -11.303
  372    H    TRP  49           H        TRP  49  -9.729   7.780  -4.555
  373    HA   TRP  49           HA       TRP  49 -10.391  10.495  -4.086
  374    HD1  TRP  49           HD1      TRP  49 -12.210   6.449  -3.430
  375    HE1  TRP  49           HE1      TRP  49 -11.601   4.487  -1.928
  376    HE3  TRP  49           HE3      TRP  49  -9.025   8.845  -0.206
  377    HZ2  TRP  49           HZ2      TRP  49  -9.928   3.998   0.411
  378    HZ3  TRP  49           HZ3      TRP  49  -7.846   7.582   1.545
  379    HH2  TRP  49           HH2      TRP  49  -8.247   5.134   1.838
  380    HB2  TRP  49           2HB      TRP  49 -11.318   9.650  -1.927
  381    HB3  TRP  49           3HB      TRP  49 -11.938   8.939  -3.393
  382    H    ALA  50           H        ALA  50  -7.674   8.531  -2.880
  383    HA   ALA  50           HA       ALA  50  -6.833  10.708  -1.089
  384    HB1  ALA  50           3HB      ALA  50  -6.474   8.518  -0.233
  385    HB2  ALA  50           1HB      ALA  50  -5.564   8.027  -1.698
  386    HB3  ALA  50           2HB      ALA  50  -4.930   9.282  -0.599
  387    H    GLU  51           H        GLU  51  -6.899  12.162  -3.050
  388    HA   GLU  51           HA       GLU  51  -4.964  11.916  -5.117
  389    HB2  GLU  51           2HB      GLU  51  -7.003  13.354  -5.114
  390    HB3  GLU  51           3HB      GLU  51  -6.250  14.426  -3.930
  391    HG2  GLU  51           2HG      GLU  51  -4.519  15.057  -5.551
  392    HG3  GLU  51           3HG      GLU  51  -5.107  13.848  -6.698
  393    H    TYR  52           H        TYR  52  -4.491  12.577  -1.767
  394    HA   TYR  52           HA       TYR  52  -1.705  13.466  -2.203
  395    HD1  TYR  52           HD1      TYR  52  -4.643  15.675  -2.310
  396    HD2  TYR  52           HD2      TYR  52  -3.937  14.406   1.741
  397    HE1  TYR  52           HE1      TYR  52  -6.971  16.321  -1.718
  398    HE2  TYR  52           HE2      TYR  52  -6.250  15.054   2.359
  399    HH   TYR  52           HH       TYR  52  -8.568  16.436  -0.021
  400    HB2  TYR  52           2HB      TYR  52  -2.120  14.552   0.180
  401    HB3  TYR  52           3HB      TYR  52  -2.330  15.428  -1.325
  402    H    HIS  53           H        HIS  53  -0.205  12.540  -0.632
  403    HA   HIS  53           HA       HIS  53  -0.987   9.781  -0.227
  404    HD2  HIS  53           HD2      HIS  53   0.466   8.295  -1.785
  405    HE1  HIS  53           HE1      HIS  53   2.890  10.867  -4.157
  406    HE2  HIS  53           HE2      HIS  53   1.591   8.672  -4.107
  407    HB2  HIS  53           2HB      HIS  53   1.552  11.292   0.500
  408    HB3  HIS  53           3HB      HIS  53   1.335   9.558   0.677
  409    H    ALA  54           H        ALA  54  -0.447  12.548   2.007
  410    HA   ALA  54           HA       ALA  54  -0.736  11.188   4.415
  411    HB1  ALA  54           3HB      ALA  54  -0.279  13.603   4.285
  412    HB2  ALA  54           1HB      ALA  54  -1.938  13.897   3.699
  413    HB3  ALA  54           2HB      ALA  54  -1.663  13.278   5.339
  414    H    ASP  55           H        ASP  55  -3.337  11.710   2.005
  415    HA   ASP  55           HA       ASP  55  -5.464  11.502   3.918
  416    HB2  ASP  55           2HB      ASP  55  -5.630  12.397   1.514
  417    HB3  ASP  55           3HB      ASP  55  -5.655  10.740   0.989
  418    H    ILE  56           H        ILE  56  -3.958   9.065   1.722
  419    HA   ILE  56           HA       ILE  56  -5.591   6.908   2.727
  420    HB   ILE  56           HB       ILE  56  -3.358   5.602   1.844
  421   HG12  ILE  56          2HG1      ILE  56  -3.279   8.202   0.321
  422   HG13  ILE  56          3HG1      ILE  56  -1.993   7.260   1.054
  423   HG21  ILE  56          1HG2      ILE  56  -5.719   6.422   0.177
  424   HG22  ILE  56          2HG2      ILE  56  -4.670   5.002  -0.061
  425   HG23  ILE  56          3HG2      ILE  56  -5.664   5.120   1.383
  426   HD11  ILE  56          3HD1      ILE  56  -2.382   5.520  -0.760
  427   HD12  ILE  56          1HD1      ILE  56  -3.571   6.618  -1.483
  428   HD13  ILE  56          2HD1      ILE  56  -1.876   7.112  -1.367
  429    H    TYR  57           H        TYR  57  -2.355   8.231   3.603
  430    HA   TYR  57           HA       TYR  57  -1.784   6.072   5.352
  431    HD1  TYR  57           HD2      TYR  57   0.141   5.394   6.322
  432    HD2  TYR  57           HD1      TYR  57   0.166   9.521   7.582
  433    HE1  TYR  57           HE2      TYR  57   1.270   4.737   8.415
  434    HE2  TYR  57           HE1      TYR  57   1.310   8.873   9.678
  435    HH   TYR  57           HH       TYR  57   2.192   7.111  10.941
  436    HB2  TYR  57           2HB      TYR  57  -0.030   7.639   4.665
  437    HB3  TYR  57           3HB      TYR  57  -0.839   8.961   5.514
  438    H    ASP  58           H        ASP  58  -3.274   9.311   6.123
  439    HA   ASP  58           HA       ASP  58  -3.627   8.784   8.863
  440    HB2  ASP  58           2HB      ASP  58  -3.840  11.018   7.905
  441    HB3  ASP  58           3HB      ASP  58  -5.258  10.521   6.974
  442    H    LYS  59           H        LYS  59  -5.853   8.126   6.120
  443    HA   LYS  59           HA       LYS  59  -8.067   7.180   7.660
  444    HB2  LYS  59           2HB      LYS  59  -8.283   7.830   5.376
  445    HB3  LYS  59           3HB      LYS  59  -7.095   6.652   4.822
  446    HG2  LYS  59           2HG      LYS  59  -8.554   4.900   4.831
  447    HG3  LYS  59           3HG      LYS  59  -9.478   5.502   6.231
  448    HD2  LYS  59           2HD      LYS  59 -10.591   7.161   4.898
  449    HD3  LYS  59           3HD      LYS  59  -9.562   6.817   3.497
  450    HE2  LYS  59           2HE      LYS  59 -10.483   4.471   3.451
  451    HE3  LYS  59           3HE      LYS  59 -11.587   4.913   4.760
  452    HZ1  LYS  59           3HZ      LYS  59 -12.557   6.580   3.275
  453    HZ2  LYS  59           1HZ      LYS  59 -11.529   6.158   2.069
  454    HZ3  LYS  59           2HZ      LYS  59 -12.652   5.099   2.604
  455    H    VAL  60           H        VAL  60  -5.328   5.338   6.146
  456    HA   VAL  60           HA       VAL  60  -6.516   2.911   7.215
  457    HB   VAL  60           HB       VAL  60  -4.038   3.354   5.530
  458   HG11  VAL  60          1HG1      VAL  60  -5.548   0.784   6.237
  459   HG12  VAL  60          2HG1      VAL  60  -4.184   0.909   5.106
  460   HG13  VAL  60          3HG1      VAL  60  -3.922   1.213   6.806
  461   HG21  VAL  60          3HG2      VAL  60  -6.942   2.547   4.920
  462   HG22  VAL  60          1HG2      VAL  60  -6.136   4.038   4.390
  463   HG23  VAL  60          2HG2      VAL  60  -5.649   2.505   3.726
  464    H    SER  61           H        SER  61  -3.623   4.919   8.151
  465    HA   SER  61           HA       SER  61  -2.796   2.988  10.123
  466    HG   SER  61           HG       SER  61  -1.599   6.867  10.048
  467    HB2  SER  61           2HB      SER  61  -1.426   4.720  11.031
  468    HB3  SER  61           3HB      SER  61  -1.330   4.814   9.266
  469    H    GLY  62           H        GLY  62  -5.215   5.612  10.004
  470    HA2  GLY  62           2HA      GLY  62  -6.032   5.609  12.708
  471    HA3  GLY  62           1HA      GLY  62  -7.051   5.962  11.294
  472    H    ASP  63           H        ASP  63  -7.248   3.590   9.913
  473    HA   ASP  63           HA       ASP  63  -8.994   2.041  11.510
  474    HB2  ASP  63           2HB      ASP  63  -9.058   2.113   9.028
  475    HB3  ASP  63           3HB      ASP  63  -7.603   1.109   8.982
  476    H    MET  64           H        MET  64  -5.553   1.424  10.634
  477    HA   MET  64           HA       MET  64  -5.384  -1.103  11.924
  478    HB2  MET  64           2HB      MET  64  -3.217   1.019  11.557
  479    HB3  MET  64           3HB      MET  64  -2.934  -0.621  12.107
  480    HG2  MET  64           2HG      MET  64  -3.928   0.181   9.361
  481    HG3  MET  64           3HG      MET  64  -2.396  -0.544   9.783
  482    HE1  MET  64           3HE      MET  64  -6.278  -1.154   9.668
  483    HE2  MET  64           1HE      MET  64  -5.465  -1.101   8.068
  484    HE3  MET  64           2HE      MET  64  -6.212  -2.607   8.650
  485    H    GLN  65           H        GLN  65  -4.761   2.195  13.241
  486    HA   GLN  65           HA       GLN  65  -4.182   1.263  15.867
  487    HB2  GLN  65           2HB      GLN  65  -4.984   3.914  14.644
  488    HB3  GLN  65           3HB      GLN  65  -4.721   3.754  16.386
  489    HG2  GLN  65           2HG      GLN  65  -2.410   3.049  16.046
  490    HG3  GLN  65           3HG      GLN  65  -2.624   2.982  14.296
  491   HE21  GLN  65          2HE2      GLN  65  -3.250   5.029  13.198
  492   HE22  GLN  65          1HE2      GLN  65  -2.560   6.539  13.783
  493    H    LYS  66           H        LYS  66  -7.298   1.975  14.275
  494    HA   LYS  66           HA       LYS  66  -8.811   1.765  16.742
  495    HB2  LYS  66           2HB      LYS  66  -9.552   1.540  13.807
  496    HB3  LYS  66           3HB      LYS  66 -10.716   1.212  15.099
  497    HG2  LYS  66           2HG      LYS  66 -10.356   3.434  16.066
  498    HG3  LYS  66           3HG      LYS  66  -9.166   3.832  14.835
  499    HD2  LYS  66           2HD      LYS  66 -12.098   3.207  14.282
  500    HD3  LYS  66           3HD      LYS  66 -11.427   4.830  14.477
  501    HE2  LYS  66           2HE      LYS  66  -9.922   4.450  12.517
  502    HE3  LYS  66           3HE      LYS  66 -10.644   2.848  12.299
  503    HZ1  LYS  66           3HZ      LYS  66 -12.778   3.932  11.905
  504    HZ2  LYS  66           1HZ      LYS  66 -12.116   5.411  12.110
  505    HZ3  LYS  66           2HZ      LYS  66 -11.668   4.484  10.850
  506    H    GLN  67           H        GLN  67  -7.645  -0.673  14.302
  507    HA   GLN  67           HA       GLN  67  -8.761  -2.887  15.819
  508    HB2  GLN  67           2HB      GLN  67  -6.400  -2.844  13.881
  509    HB3  GLN  67           3HB      GLN  67  -7.186  -4.275  14.538
  510    HG2  GLN  67           2HG      GLN  67  -9.325  -3.598  13.440
  511    HG3  GLN  67           3HG      GLN  67  -8.520  -2.190  12.754
  512   HE21  GLN  67          2HE2      GLN  67  -8.302  -2.583  10.523
  513   HE22  GLN  67          1HE2      GLN  67  -7.682  -4.093   9.888
  514    H    GLY  68           H        GLY  68  -5.901  -0.891  16.123
  515    HA2  GLY  68           2HA      GLY  68  -5.109  -0.603  18.462
  516    HA3  GLY  68           1HA      GLY  68  -4.956  -2.360  18.538
  517    H    CYS  69           H        CYS  69  -4.140  -2.257  15.586
  518    HA   CYS  69           HA       CYS  69  -1.357  -2.674  15.950
  519    HG   CYS  69           HG       CYS  69  -2.943  -4.888  13.109
  520    HB2  CYS  69           2HB      CYS  69  -3.139  -2.308  13.516
  521    HB3  CYS  69           3HB      CYS  69  -1.424  -2.740  13.421
  522    H    ASP  70           H        ASP  70   0.405  -1.524  14.922
  523    HA   ASP  70           HA       ASP  70   0.001   1.443  15.130
  524    HB2  ASP  70           2HB      ASP  70   1.009   0.499  17.132
  525    HB3  ASP  70           3HB      ASP  70   2.211  -0.360  16.173
  526    H    CYS  71           H        CYS  71   1.137   2.705  13.559
  527    HA   CYS  71           HA       CYS  71   2.336   1.076  11.367
  528    HG   CYS  71           HG       CYS  71  -1.279   1.463   9.925
  529    HB2  CYS  71           2HB      CYS  71   0.230   3.265  11.214
  530    HB3  CYS  71           3HB      CYS  71   1.001   2.518   9.815
  531    H    GLU  72           H        GLU  72   3.407   2.216   9.684
  532    HA   GLU  72           HA       GLU  72   4.271   4.990  10.033
  533    HB2  GLU  72           2HB      GLU  72   6.008   3.837  11.282
  534    HB3  GLU  72           3HB      GLU  72   6.109   2.549  10.079
  535    HG2  GLU  72           2HG      GLU  72   7.008   4.144   8.422
  536    HG3  GLU  72           3HG      GLU  72   6.892   5.448   9.612
  537    H    CYS  73           H        CYS  73   3.941   5.815   7.905
  538    HA   CYS  73           HA       CYS  73   3.776   3.975   5.637
  539    HG   CYS  73           HG       CYS  73   2.881   8.374   5.483
  540    HB2  CYS  73           2HB      CYS  73   3.784   6.196   4.322
  541    HB3  CYS  73           3HB      CYS  73   2.376   5.820   5.298
  542    H    LEU  74           H        LEU  74   5.560   3.183   4.624
  543    HA   LEU  74           HA       LEU  74   8.232   4.095   5.358
  544    HG   LEU  74           HG       LEU  74   6.863   1.105   5.227
  545    HB2  LEU  74           2HB      LEU  74   7.312   2.234   3.124
  546    HB3  LEU  74           3HB      LEU  74   8.976   2.543   3.586
  547   HD11  LEU  74          1HD1      LEU  74   9.574   0.186   4.166
  548   HD12  LEU  74          2HD1      LEU  74   8.361  -0.807   5.004
  549   HD13  LEU  74          3HD1      LEU  74   8.021  -0.162   3.392
  550   HD21  LEU  74          3HD2      LEU  74   9.678   1.933   6.063
  551   HD22  LEU  74          1HD2      LEU  74   8.143   2.378   6.847
  552   HD23  LEU  74          2HD2      LEU  74   8.699   0.708   6.891
  553    H    GLY  75           H        GLY  75   5.867   4.834   2.841
  554    HA2  GLY  75           2HA      GLY  75   6.880   7.321   2.194
  555    HA3  GLY  75           1HA      GLY  75   7.594   6.202   1.021
  556    H    GLY  76           H        GLY  76   6.209   7.669  -0.399
  557    HA2  GLY  76           2HA      GLY  76   3.644   6.289  -0.929
  558    HA3  GLY  76           1HA      GLY  76   3.646   8.055  -0.819
  559    H    GLY  77           H        GLY  77   2.870   6.749  -3.130
  560    HA2  GLY  77           2HA      GLY  77   4.658   7.803  -5.148
  561    HA3  GLY  77           1HA      GLY  77   4.683   6.035  -5.057
  562    H    ARG  78           H        ARG  78   3.712   6.128  -7.248
  563    HA   ARG  78           HA       ARG  78   0.771   6.551  -7.242
  564    HE   ARG  78           HE       ARG  78   0.293   8.108 -12.307
  565    HB2  ARG  78           2HB      ARG  78   1.605   8.625  -8.036
  566    HB3  ARG  78           3HB      ARG  78   2.897   7.858  -8.973
  567    HG2  ARG  78           2HG      ARG  78   1.285   6.972 -10.580
  568    HG3  ARG  78           3HG      ARG  78  -0.067   7.665  -9.659
  569    HD2  ARG  78           2HD      ARG  78   0.653   9.906 -10.119
  570    HD3  ARG  78           3HD      ARG  78   2.228   9.350 -10.728
  571   HH11  ARG  78          1HH2      ARG  78   1.389  11.441 -11.720
  572   HH12  ARG  78          2HH2      ARG  78   1.093  11.969 -13.333
  573   HH21  ARG  78          1HH1      ARG  78  -0.064   8.783 -14.430
  574   HH22  ARG  78          2HH1      ARG  78   0.263  10.399 -14.932
  575    H    ILE  79           H        ILE  79  -0.302   5.243  -8.651
  576    HA   ILE  79           HA       ILE  79   1.247   3.131 -10.039
  577    HB   ILE  79           HB       ILE  79  -1.488   2.951  -8.703
  578   HG12  ILE  79          2HG1      ILE  79   1.086   1.414  -8.124
  579   HG13  ILE  79          3HG1      ILE  79   0.518   2.774  -7.168
  580   HG21  ILE  79          1HG2      ILE  79   0.012   0.845 -10.345
  581   HG22  ILE  79          2HG2      ILE  79  -1.530   0.595  -9.498
  582   HG23  ILE  79          3HG2      ILE  79  -1.460   1.697 -10.856
  583   HD11  ILE  79          3HD1      ILE  79  -1.530   1.504  -6.565
  584   HD12  ILE  79          1HD1      ILE  79  -0.882   0.087  -7.426
  585   HD13  ILE  79          2HD1      ILE  79  -0.030   0.737  -6.021
  586    H    SER  80           H        SER  80   0.812   3.075 -12.214
  587    HA   SER  80           HA       SER  80  -1.578   4.455 -13.251
  588    HG   SER  80           HG       SER  80   1.336   6.692 -13.739
  589    HB2  SER  80           2HB      SER  80   1.151   4.763 -14.532
  590    HB3  SER  80           3HB      SER  80  -0.366   5.502 -15.052
  591    H    HIS  81           H        HIS  81  -2.077   3.704 -15.449
  592    HA   HIS  81           HA       HIS  81  -1.079   0.955 -16.047
  593    HD1  HIS  81           HD1      HIS  81  -5.509  -0.352 -15.512
  594    HD2  HIS  81           HD2      HIS  81  -1.850  -0.816 -17.557
  595    HE1  HIS  81           HE1      HIS  81  -5.522  -2.706 -16.502
  596    HB2  HIS  81           2HB      HIS  81  -3.355   1.314 -14.869
  597    HB3  HIS  81           3HB      HIS  81  -3.914   1.991 -16.390
  598    H    GLN  82           H        GLN  82  -0.357   3.699 -17.190
  599    HA   GLN  82           HA       GLN  82  -0.745   3.067 -20.066
  600    HB2  GLN  82           2HB      GLN  82  -1.146   5.779 -18.724
  601    HB3  GLN  82           3HB      GLN  82  -1.043   5.544 -20.468
  602    HG2  GLN  82           2HG      GLN  82  -3.210   4.280 -18.735
  603    HG3  GLN  82           3HG      GLN  82  -3.360   5.817 -19.566
  604   HE21  GLN  82          2HE2      GLN  82  -3.006   2.290 -20.102
  605   HE22  GLN  82          1HE2      GLN  82  -3.599   2.323 -21.753
  606    H    SER  83           H        SER  83   1.412   2.412 -18.291
  607    HA   SER  83           HA       SER  83   3.548   4.343 -18.395
  608    HG   SER  83           HG       SER  83   2.999   0.565 -17.207
  609    HB2  SER  83           2HB      SER  83   4.834   2.421 -17.500
  610    HB3  SER  83           3HB      SER  83   3.291   2.609 -16.648
  611    H    GLN  84           H        GLN  84   5.662   3.766 -19.519
  612    HA   GLN  84           HA       GLN  84   5.342   3.144 -22.317
  613    HB2  GLN  84           2HB      GLN  84   7.815   3.180 -20.527
  614    HB3  GLN  84           3HB      GLN  84   7.839   3.020 -22.287
  615    HG2  GLN  84           2HG      GLN  84   6.704   5.227 -22.505
  616    HG3  GLN  84           3HG      GLN  84   6.751   5.426 -20.754
  617   HE21  GLN  84          2HE2      GLN  84   8.512   5.921 -23.678
  618   HE22  GLN  84          1HE2      GLN  84  10.039   6.363 -22.957
  619    H    ASP  85           H        ASP  85   5.780   1.199 -19.407
  620    HA   ASP  85           HA       ASP  85   6.604  -1.217 -20.833
  621    HB2  ASP  85           2HB      ASP  85   7.406  -0.605 -18.538
  622    HB3  ASP  85           3HB      ASP  85   5.759  -0.817 -17.938
  623    H    LYS  86           H        LYS  86   3.636   0.349 -20.243
  624    HA   LYS  86           HA       LYS  86   1.518  -0.068 -20.620
  625    HB2  LYS  86           2HB      LYS  86   2.369  -1.217 -22.674
  626    HB3  LYS  86           3HB      LYS  86   2.238  -2.762 -21.819
  627    HG2  LYS  86           2HG      LYS  86  -0.188  -2.437 -21.549
  628    HG3  LYS  86           3HG      LYS  86  -0.075  -0.831 -22.300
  629    HD2  LYS  86           2HD      LYS  86   0.718  -1.875 -24.407
  630    HD3  LYS  86           3HD      LYS  86   0.615  -3.481 -23.650
  631    HE2  LYS  86           2HE      LYS  86  -1.821  -3.148 -23.286
  632    HE3  LYS  86           3HE      LYS  86  -1.720  -1.549 -24.033
  633    HZ1  LYS  86           3HZ      LYS  86  -1.058  -2.630 -26.102
  634    HZ2  LYS  86           1HZ      LYS  86  -1.150  -4.110 -25.412
  635    HZ3  LYS  86           2HZ      LYS  86  -2.493  -3.210 -25.599
  636    H    LYS  87           H        LYS  87   3.192  -2.702 -18.934
  637    HA   LYS  87           HA       LYS  87   0.933  -3.758 -17.486
  638    HB2  LYS  87           2HB      LYS  87   3.920  -3.615 -17.081
  639    HB3  LYS  87           3HB      LYS  87   2.950  -3.901 -15.661
  640    HG2  LYS  87           2HG      LYS  87   3.639  -5.993 -16.380
  641    HG3  LYS  87           3HG      LYS  87   1.920  -5.875 -16.731
  642    HD2  LYS  87           2HD      LYS  87   3.064  -7.027 -18.517
  643    HD3  LYS  87           3HD      LYS  87   2.391  -5.509 -19.100
  644    HE2  LYS  87           2HE      LYS  87   4.650  -6.099 -20.013
  645    HE3  LYS  87           3HE      LYS  87   4.531  -4.497 -19.288
  646    HZ1  LYS  87           3HZ      LYS  87   5.842  -5.055 -17.575
  647    HZ2  LYS  87           1HZ      LYS  87   5.589  -6.717 -17.674
  648    HZ3  LYS  87           2HZ      LYS  87   6.528  -5.909 -18.752
  649    H    ILE  88           H        ILE  88   0.390  -3.268 -15.214
  650    HA   ILE  88           HA       ILE  88   0.201  -0.444 -14.652
  651    HB   ILE  88           HB       ILE  88  -0.187  -1.405 -12.217
  652   HG12  ILE  88          2HG1      ILE  88  -0.957  -3.868 -13.849
  653   HG13  ILE  88          3HG1      ILE  88   0.505  -3.761 -12.869
  654   HG21  ILE  88          1HG2      ILE  88  -2.227  -1.763 -14.442
  655   HG22  ILE  88          2HG2      ILE  88  -2.574  -1.516 -12.717
  656   HG23  ILE  88          3HG2      ILE  88  -1.815  -0.228 -13.635
  657   HD11  ILE  88          3HD1      ILE  88  -0.890  -3.370 -10.842
  658   HD12  ILE  88          1HD1      ILE  88  -2.356  -3.573 -11.832
  659   HD13  ILE  88          2HD1      ILE  88  -1.238  -4.922 -11.633
  660    H    HIS  89           H        HIS  89   1.604   0.835 -13.505
  661    HA   HIS  89           HA       HIS  89   4.231  -0.406 -12.828
  662    HD1  HIS  89           HD1      HIS  89   6.583  -0.420 -14.855
  663    HD2  HIS  89           HD2      HIS  89   5.857   3.460 -13.366
  664    HE1  HIS  89           HE1      HIS  89   8.878   0.693 -14.527
  665    HB2  HIS  89           2HB      HIS  89   4.086   0.575 -15.140
  666    HB3  HIS  89           3HB      HIS  89   3.757   2.146 -14.398
  667    H    VAL  90           H        VAL  90   5.372   0.618 -11.176
  668    HA   VAL  90           HA       VAL  90   3.818   2.583  -9.569
  669    HB   VAL  90           HB       VAL  90   5.643   0.461  -8.411
  670   HG11  VAL  90          1HG1      VAL  90   3.215   1.918  -7.274
  671   HG12  VAL  90          2HG1      VAL  90   4.329   0.854  -6.392
  672   HG13  VAL  90          3HG1      VAL  90   4.890   2.411  -7.024
  673   HG21  VAL  90          3HG2      VAL  90   2.686   0.085  -9.039
  674   HG22  VAL  90          1HG2      VAL  90   4.046  -0.890  -9.623
  675   HG23  VAL  90          2HG2      VAL  90   3.622  -0.926  -7.914
  676    H    TYR  91           H        TYR  91   4.936   4.401  -8.937
  677    HA   TYR  91           HA       TYR  91   7.807   4.518  -8.719
  678    HD1  TYR  91           HD2      TYR  91   4.632   5.284 -11.201
  679    HD2  TYR  91           HD1      TYR  91   8.001   7.976 -11.458
  680    HE1  TYR  91           HE2      TYR  91   3.182   7.002 -12.207
  681    HE2  TYR  91           HE1      TYR  91   6.553   9.700 -12.473
  682    HH   TYR  91           HH       TYR  91   4.412  10.233 -13.204
  683    HB2  TYR  91           2HB      TYR  91   8.340   5.891 -10.530
  684    HB3  TYR  91           3HB      TYR  91   7.406   4.614 -11.258
  685    H    GLY  92           H        GLY  92   8.146   7.308  -8.704
  686    HA2  GLY  92           2HA      GLY  92   7.019   9.349  -8.205
  687    HA3  GLY  92           1HA      GLY  92   5.710   8.479  -7.445
  688    H    TYR  93           H        TYR  93   6.551  10.525  -6.025
  689    HA   TYR  93           HA       TYR  93   7.462   9.147  -3.649
  690    HD1  TYR  93           HD2      TYR  93   8.518  13.334  -3.794
  691    HD2  TYR  93           HD1      TYR  93  10.330  10.427  -6.419
  692    HE1  TYR  93           HE2      TYR  93   9.327  15.163  -5.257
  693    HE2  TYR  93           HE1      TYR  93  11.150  12.244  -7.882
  694    HH   TYR  93           HH       TYR  93  11.296  14.548  -8.205
  695    HB2  TYR  93           2HB      TYR  93   9.101  10.960  -3.052
  696    HB3  TYR  93           3HB      TYR  93   9.618   9.800  -4.247
  697    H    SER  94           H        SER  94   6.653  10.063  -1.800
  698    HA   SER  94           HA       SER  94   4.601  12.154  -2.025
  699    HG   SER  94           HG       SER  94   3.975  12.578   0.542
  700    HB2  SER  94           2HB      SER  94   4.134  10.432  -0.431
  701    HB3  SER  94           3HB      SER  94   5.786  10.418   0.164
  702    H    MET  95           H        MET  95   4.881  14.119  -0.486
  703    HA   MET  95           HA       MET  95   7.752  14.994  -0.482
  704    HB2  MET  95           2HB      MET  95   7.031  17.267  -0.417
  705    HB3  MET  95           3HB      MET  95   6.433  16.470  -1.873
  706    HG2  MET  95           2HG      MET  95   4.218  16.246  -0.896
  707    HG3  MET  95           3HG      MET  95   4.755  16.929   0.631
  708    HE1  MET  95           3HE      MET  95   5.156  19.459   1.102
  709    HE2  MET  95           1HE      MET  95   6.503  19.474  -0.061
  710    HE3  MET  95           2HE      MET  95   5.242  20.718  -0.148
  711    H    ALA  96           H        ALA  96   4.760  14.480   1.463
  712    HA   ALA  96           HA       ALA  96   6.075  15.503   3.871
  713    HB1  ALA  96           3HB      ALA  96   3.652  15.568   3.678
  714    HB2  ALA  96           1HB      ALA  96   3.591  13.801   3.496
  715    HB3  ALA  96           2HB      ALA  96   4.125  14.520   5.030
  716    H    TYR  97           H        TYR  97   5.942  12.393   2.197
  717    HA   TYR  97           HA       TYR  97   7.442  11.114   4.440
  718    HD1  TYR  97           HD1      TYR  97   5.619  10.381   6.347
  719    HD2  TYR  97           HD2      TYR  97   3.359  11.084   2.737
  720    HE1  TYR  97           HE1      TYR  97   3.711  11.190   7.701
  721    HE2  TYR  97           HE2      TYR  97   1.439  11.816   4.072
  722    HH   TYR  97           HH       TYR  97   1.514  11.998   7.666
  723    HB2  TYR  97           2HB      TYR  97   5.391   9.813   2.631
  724    HB3  TYR  97           3HB      TYR  97   6.113   9.150   4.085
  725    H    GLY  98           H        GLY  98   7.729  11.889   1.105
  726    HA2  GLY  98           2HA      GLY  98   9.540  11.460  -0.254
  727    HA3  GLY  98           1HA      GLY  98  10.200  10.409   0.992
  728    HA   PRO  99           HA       PRO  99   8.790   7.754  -2.629
  729    HB2  PRO  99           2HB      PRO  99  11.188   6.452  -3.036
  730    HB3  PRO  99           3HB      PRO  99  10.765   7.985  -3.833
  731    HG2  PRO  99           2HG      PRO  99  12.447   7.562  -1.356
  732    HG3  PRO  99           3HG      PRO  99  12.774   8.640  -2.749
  733    HD2  PRO  99           2HD      PRO  99  11.711   9.550  -0.406
  734    HD3  PRO  99           3HD      PRO  99  11.234  10.248  -1.981
  735    H    ALA 100           H        ALA 100   8.500   5.479  -2.575
  736    HA   ALA 100           HA       ALA 100   8.977   4.130   0.045
  737    HB1  ALA 100           3HB      ALA 100   6.600   4.283  -0.588
  738    HB2  ALA 100           1HB      ALA 100   6.987   3.661  -2.207
  739    HB3  ALA 100           2HB      ALA 100   7.153   2.609  -0.775
  740    H    GLN 101           H        GLN 101   9.412   1.748  -0.226
  741    HA   GLN 101           HA       GLN 101  11.326   1.175  -2.399
  742    HB2  GLN 101           2HB      GLN 101  10.312  -0.481  -0.048
  743    HB3  GLN 101           3HB      GLN 101  11.443  -1.076  -1.267
  744    HG2  GLN 101           2HG      GLN 101  11.904   1.245   0.637
  745    HG3  GLN 101           3HG      GLN 101  12.608  -0.374   0.753
  746   HE21  GLN 101          2HE2      GLN 101  13.492   2.689  -0.048
  747   HE22  GLN 101          1HE2      GLN 101  14.680   2.357  -1.281
  748    H    HIS 102           H        HIS 102   9.839   1.463  -4.142
  749    HA   HIS 102           HA       HIS 102   7.393   0.179  -4.401
  750    HD1  HIS 102           HD1      HIS 102   9.742   3.545  -6.218
  751    HD2  HIS 102           HD2      HIS 102   6.023   2.098  -4.910
  752    HE1  HIS 102           HE1      HIS 102   8.538   5.497  -5.091
  753    HB2  HIS 102           2HB      HIS 102   9.359   0.941  -6.580
  754    HB3  HIS 102           3HB      HIS 102   7.651   0.559  -6.832
  755    H    ALA 103           H        ALA 103  10.443  -1.361  -4.427
  756    HA   ALA 103           HA       ALA 103   9.946  -3.721  -5.935
  757    HB1  ALA 103           3HB      ALA 103  12.170  -3.107  -5.027
  758    HB2  ALA 103           1HB      ALA 103  11.557  -3.263  -3.364
  759    HB3  ALA 103           2HB      ALA 103  11.667  -4.694  -4.413
  760    H    ILE 104           H        ILE 104   9.061  -2.767  -2.562
  761    HA   ILE 104           HA       ILE 104   8.047  -5.365  -1.824
  762    HB   ILE 104           HB       ILE 104   7.395  -2.605  -0.698
  763   HG12  ILE 104          2HG1      ILE 104   9.553  -4.562   0.218
  764   HG13  ILE 104          3HG1      ILE 104   9.842  -3.047  -0.643
  765   HG21  ILE 104          1HG2      ILE 104   7.146  -5.372   0.576
  766   HG22  ILE 104          2HG2      ILE 104   6.711  -3.824   1.338
  767   HG23  ILE 104          3HG2      ILE 104   5.799  -4.397  -0.047
  768   HD11  ILE 104          3HD1      ILE 104   8.746  -1.804   1.234
  769   HD12  ILE 104          1HD1      ILE 104   8.752  -3.323   2.167
  770   HD13  ILE 104          2HD1      ILE 104  10.278  -2.606   1.632
  771    H    SER 105           H        SER 105   6.599  -2.282  -3.052
  772    HA   SER 105           HA       SER 105   3.948  -3.044  -3.037
  773    HG   SER 105           HG       SER 105   5.084   0.357  -3.563
  774    HB2  SER 105           2HB      SER 105   5.046  -1.310  -5.253
  775    HB3  SER 105           3HB      SER 105   3.567  -1.122  -4.292
  776    H    THR 106           H        THR 106   6.338  -3.431  -5.801
  777    HA   THR 106           HA       THR 106   4.317  -4.473  -7.512
  778    HB   THR 106           HB       THR 106   6.353  -5.283  -8.841
  779    HG1  THR 106           1HG      THR 106   8.338  -4.450  -8.122
  780   HG21  THR 106          3HG2      THR 106   5.154  -3.151  -9.200
  781   HG22  THR 106          1HG2      THR 106   6.210  -2.346  -8.021
  782   HG23  THR 106          2HG2      THR 106   6.884  -3.008  -9.530
  783    H    GLU 107           H        GLU 107   6.763  -6.188  -5.438
  784    HA   GLU 107           HA       GLU 107   6.028  -8.776  -6.300
  785    HB2  GLU 107           2HB      GLU 107   7.112  -7.753  -3.647
  786    HB3  GLU 107           3HB      GLU 107   6.797  -9.466  -3.953
  787    HG2  GLU 107           2HG      GLU 107   8.293  -9.386  -5.947
  788    HG3  GLU 107           3HG      GLU 107   8.688  -7.711  -5.578
  789    H    LYS 108           H        LYS 108   4.574  -6.729  -3.717
  790    HA   LYS 108           HA       LYS 108   2.673  -8.760  -2.945
  791    HB2  LYS 108           2HB      LYS 108   2.797  -5.752  -2.492
  792    HB3  LYS 108           3HB      LYS 108   1.538  -6.804  -1.819
  793    HG2  LYS 108           2HG      LYS 108   3.195  -8.162  -0.653
  794    HG3  LYS 108           3HG      LYS 108   4.511  -7.175  -1.292
  795    HD2  LYS 108           2HD      LYS 108   3.692  -5.201  -0.130
  796    HD3  LYS 108           3HD      LYS 108   2.250  -6.055   0.435
  797    HE2  LYS 108           2HE      LYS 108   5.035  -7.080   1.084
  798    HE3  LYS 108           3HE      LYS 108   4.276  -5.809   2.062
  799    HZ1  LYS 108           3HZ      LYS 108   2.582  -7.208   2.723
  800    HZ2  LYS 108           1HZ      LYS 108   2.767  -8.270   1.546
  801    HZ3  LYS 108           2HZ      LYS 108   3.884  -8.216   2.776
  802    H    ILE 109           H        ILE 109   2.394  -5.927  -5.201
  803    HA   ILE 109           HA       ILE 109  -0.385  -6.422  -5.700
  804    HB   ILE 109           HB       ILE 109   1.670  -4.889  -7.339
  805   HG12  ILE 109          2HG1      ILE 109  -0.526  -3.711  -5.566
  806   HG13  ILE 109          3HG1      ILE 109   1.038  -4.091  -4.897
  807   HG21  ILE 109          1HG2      ILE 109  -1.387  -4.673  -7.470
  808   HG22  ILE 109          2HG2      ILE 109  -0.211  -3.823  -8.486
  809   HG23  ILE 109          3HG2      ILE 109  -0.434  -5.557  -8.662
  810   HD11  ILE 109          3HD1      ILE 109   2.131  -2.586  -6.570
  811   HD12  ILE 109          1HD1      ILE 109   0.521  -2.130  -7.173
  812   HD13  ILE 109          2HD1      ILE 109   0.983  -1.749  -5.509
  813    H    LYS 110           H        LYS 110   2.620  -7.648  -7.317
  814    HA   LYS 110           HA       LYS 110   1.300  -9.092  -9.408
  815    HB2  LYS 110           2HB      LYS 110   3.869  -9.692  -7.875
  816    HB3  LYS 110           3HB      LYS 110   3.314 -10.629  -9.262
  817    HG2  LYS 110           2HG      LYS 110   3.616  -8.828 -10.784
  818    HG3  LYS 110           3HG      LYS 110   3.934  -7.665  -9.490
  819    HD2  LYS 110           2HD      LYS 110   5.953  -8.931  -8.817
  820    HD3  LYS 110           3HD      LYS 110   5.639 -10.125 -10.094
  821    HE2  LYS 110           2HE      LYS 110   5.883  -8.333 -11.806
  822    HE3  LYS 110           3HE      LYS 110   6.203  -7.158 -10.529
  823    HZ1  LYS 110           3HZ      LYS 110   8.204  -8.426  -9.962
  824    HZ2  LYS 110           1HZ      LYS 110   7.900  -9.512 -11.147
  825    HZ3  LYS 110           2HZ      LYS 110   8.242  -7.965 -11.525
  826    H    ALA 111           H        ALA 111   2.150 -10.071  -6.015
  827    HA   ALA 111           HA       ALA 111   1.056 -12.677  -6.227
  828    HB1  ALA 111           3HB      ALA 111   2.590 -11.968  -4.423
  829    HB2  ALA 111           1HB      ALA 111   1.324 -10.913  -3.751
  830    HB3  ALA 111           2HB      ALA 111   1.098 -12.671  -3.771
  831    H    LYS 112           H        LYS 112  -0.494  -9.578  -5.285
  832    HA   LYS 112           HA       LYS 112  -3.049 -10.656  -4.584
  833    HB2  LYS 112           2HB      LYS 112  -2.190  -8.381  -4.007
  834    HB3  LYS 112           3HB      LYS 112  -2.332  -7.927  -5.704
  835    HG2  LYS 112           2HG      LYS 112  -4.230  -7.049  -4.663
  836    HG3  LYS 112           3HG      LYS 112  -4.805  -8.455  -5.558
  837    HD2  LYS 112           2HD      LYS 112  -4.930  -9.759  -3.455
  838    HD3  LYS 112           3HD      LYS 112  -4.267  -8.375  -2.560
  839    HE2  LYS 112           2HE      LYS 112  -6.250  -7.037  -3.670
  840    HE3  LYS 112           3HE      LYS 112  -6.944  -8.630  -3.983
  841    HZ1  LYS 112           3HZ      LYS 112  -6.754  -9.005  -1.525
  842    HZ2  LYS 112           1HZ      LYS 112  -6.296  -7.423  -1.359
  843    HZ3  LYS 112           2HZ      LYS 112  -7.778  -7.801  -1.926
  844    H    TYR 113           H        TYR 113  -1.678  -9.642  -7.737
  845    HA   TYR 113           HA       TYR 113  -4.168 -10.582  -9.089
  846    HD1  TYR 113           HD2      TYR 113  -6.101  -8.925  -9.266
  847    HD2  TYR 113           HD1      TYR 113  -2.706  -6.533  -8.110
  848    HE1  TYR 113           HE2      TYR 113  -7.563  -7.569  -7.796
  849    HE2  TYR 113           HE1      TYR 113  -4.159  -5.147  -6.660
  850    HH   TYR 113           HH       TYR 113  -6.323  -4.849  -5.816
  851    HB2  TYR 113           2HB      TYR 113  -2.431  -8.184  -9.762
  852    HB3  TYR 113           3HB      TYR 113  -3.845  -8.723 -10.653
  853    HA   PRO 114           HA       PRO 114  -0.312 -12.733 -10.580
  854    HB2  PRO 114           2HB      PRO 114  -1.156 -15.344 -10.528
  855    HB3  PRO 114           3HB      PRO 114  -0.553 -14.470  -9.086
  856    HG2  PRO 114           2HG      PRO 114  -3.436 -14.884  -9.940
  857    HG3  PRO 114           3HG      PRO 114  -2.709 -15.165  -8.324
  858    HD2  PRO 114           2HD      PRO 114  -4.032 -12.861  -8.914
  859    HD3  PRO 114           3HD      PRO 114  -2.572 -12.855  -7.882
  860    H    ASP 115           H        ASP 115  -3.608 -12.659 -11.738
  861    HA   ASP 115           HA       ASP 115  -3.126 -13.842 -14.336
  862    HB2  ASP 115           2HB      ASP 115  -5.363 -13.650 -13.243
  863    HB3  ASP 115           3HB      ASP 115  -5.280 -11.897 -13.425
  864    H    TYR 116           H        TYR 116  -1.908 -11.031 -12.949
  865    HA   TYR 116           HA       TYR 116  -1.474  -9.660 -15.547
  866    HD1  TYR 116           HD1      TYR 116  -3.163  -7.248 -16.256
  867    HD2  TYR 116           HD2      TYR 116  -4.490  -9.386 -12.751
  868    HE1  TYR 116           HE1      TYR 116  -5.501  -7.073 -17.042
  869    HE2  TYR 116           HE2      TYR 116  -6.836  -9.208 -13.522
  870    HH   TYR 116           HH       TYR 116  -7.735  -7.568 -16.597
  871    HB2  TYR 116           2HB      TYR 116  -2.213  -8.398 -12.871
  872    HB3  TYR 116           3HB      TYR 116  -1.708  -7.513 -14.295
  873    H    GLU 117           H        GLU 117   0.271  -7.760 -14.769
  874    HA   GLU 117           HA       GLU 117   2.368  -8.880 -13.070
  875    HB2  GLU 117           2HB      GLU 117   2.753  -9.809 -15.384
  876    HB3  GLU 117           3HB      GLU 117   2.855  -8.162 -15.994
  877    HG2  GLU 117           2HG      GLU 117   4.831  -7.790 -14.445
  878    HG3  GLU 117           3HG      GLU 117   4.698  -9.472 -13.936
  879    H    VAL 118           H        VAL 118   4.029  -7.092 -12.724
  880    HA   VAL 118           HA       VAL 118   2.940  -4.389 -13.022
  881    HB   VAL 118           HB       VAL 118   3.860  -5.335 -10.300
  882   HG11  VAL 118          1HG1      VAL 118   1.794  -3.223 -11.044
  883   HG12  VAL 118          2HG1      VAL 118   2.544  -3.486  -9.461
  884   HG13  VAL 118          3HG1      VAL 118   3.510  -2.885 -10.819
  885   HG21  VAL 118          3HG2      VAL 118   0.949  -5.556 -11.148
  886   HG22  VAL 118          1HG2      VAL 118   2.012  -6.923 -10.777
  887   HG23  VAL 118          2HG2      VAL 118   1.623  -5.780  -9.516
  888    H    THR 119           H        THR 119   4.712  -2.825 -12.868
  889    HA   THR 119           HA       THR 119   7.416  -3.904 -12.284
  890    HB   THR 119           HB       THR 119   8.214  -2.540 -14.300
  891    HG1  THR 119           1HG      THR 119   6.322  -2.726 -15.946
  892   HG21  THR 119          3HG2      THR 119   8.111  -5.039 -14.184
  893   HG22  THR 119          1HG2      THR 119   6.513  -4.979 -14.957
  894   HG23  THR 119          2HG2      THR 119   7.956  -4.381 -15.813
  895    H    TRP 120           H        TRP 120   9.031  -1.901 -12.198
  896    HA   TRP 120           HA       TRP 120   7.671   0.492 -11.259
  897    HD1  TRP 120           HD1      TRP 120   9.199  -3.206  -9.662
  898    HE1  TRP 120           HE1      TRP 120  11.386  -3.965  -8.599
  899    HE3  TRP 120           HE3      TRP 120  11.057   1.383  -8.300
  900    HZ2  TRP 120           HZ2      TRP 120  13.666  -2.743  -7.291
  901    HZ3  TRP 120           HZ3      TRP 120  13.249   1.540  -7.169
  902    HH2  TRP 120           HH2      TRP 120  14.561  -0.504  -6.655
  903    HB2  TRP 120           2HB      TRP 120   8.796   0.595  -9.109
  904    HB3  TRP 120           3HB      TRP 120   7.758  -0.807  -9.180
  905    H    ALA 121           H        ALA 121   9.157   2.192 -10.661
  906    HA   ALA 121           HA       ALA 121  11.927   2.048 -11.549
  907    HB1  ALA 121           3HB      ALA 121  10.711   2.779 -13.615
  908    HB2  ALA 121           1HB      ALA 121   9.969   4.106 -12.694
  909    HB3  ALA 121           2HB      ALA 121  11.727   4.078 -12.955
  910    H    ASN 122           H        ASN 122  13.019   4.106 -10.731
  911    HA   ASN 122           HA       ASN 122  11.744   4.839  -8.142
  912    HB2  ASN 122           2HB      ASN 122  13.989   3.514  -8.421
  913    HB3  ASN 122           3HB      ASN 122  14.691   5.111  -8.699
  914   HD21  ASN 122          2HD2      ASN 122  13.644   6.786  -6.847
  915   HD22  ASN 122          1HD2      ASN 122  13.852   6.157  -5.219
  916    H    ASP 123           H        ASP 123  11.725   6.171 -11.048
  917    HA   ASP 123           HA       ASP 123  12.615   8.905 -10.472
  918    HB2  ASP 123           2HB      ASP 123  12.338   7.760 -12.816
  919    HB3  ASP 123           3HB      ASP 123  10.611   8.103 -12.576
  920    H    GLY 124           H        GLY 124  10.627  10.568 -10.919
  921    HA2  GLY 124           2HA      GLY 124   8.056   9.911  -9.953
  922    HA3  GLY 124           1HA      GLY 124   9.020  10.457  -8.571
  923    H    TYR 125           H        TYR 125   7.142  11.971  -8.650
  924    HA   TYR 125           HA       TYR 125   5.979  13.792  -9.173
  925    HD1  TYR 125           HD2      TYR 125   5.686  16.057  -7.642
  926    HD2  TYR 125           HD1      TYR 125   8.409  16.898 -10.886
  927    HE1  TYR 125           HE2      TYR 125   4.625  18.274  -7.954
  928    HE2  TYR 125           HE1      TYR 125   7.356  19.111 -11.206
  929    HH   TYR 125           HH       TYR 125   5.713  20.597 -10.478
  930    HB2  TYR 125           2HB      TYR 125   7.867  14.780  -7.981
  931    HB3  TYR 125           3HB      TYR 125   8.758  14.969  -9.489
  Start of MODEL    9
    1    HA   MET   1           HA       MET   1 -12.234 -12.680  23.051
    2    H1   MET   1           H1       MET   1  -9.862 -11.644  24.236
    3    H2   MET   1           H2       MET   1 -10.888 -12.802  24.767
    4    H3   MET   1           H3       MET   1 -11.254 -11.222  25.009
    5    HB2  MET   1           2HB      MET   1 -12.901 -10.676  21.897
    6    HB3  MET   1           3HB      MET   1 -13.044 -10.434  23.630
    7    HG2  MET   1           2HG      MET   1 -10.927  -9.117  23.614
    8    HG3  MET   1           3HG      MET   1 -10.788  -9.376  21.871
    9    HE1  MET   1           3HE      MET   1 -10.616  -6.517  23.213
   10    HE2  MET   1           1HE      MET   1 -10.490  -6.815  21.462
   11    HE3  MET   1           2HE      MET   1 -11.601  -5.570  22.076
   12    H    ALA   2           H        ALA   2 -11.920 -12.940  20.729
   13    HA   ALA   2           HA       ALA   2  -9.184 -13.267  19.857
   14    HB1  ALA   2           3HB      ALA   2 -11.038 -14.627  18.944
   15    HB2  ALA   2           1HB      ALA   2 -11.794 -13.160  18.272
   16    HB3  ALA   2           2HB      ALA   2 -10.224 -13.716  17.659
   17    H    VAL   3           H        VAL   3  -8.085 -12.010  18.214
   18    HA   VAL   3           HA       VAL   3  -8.994  -9.254  17.728
   19    HB   VAL   3           HB       VAL   3  -6.553  -8.726  18.179
   20   HG11  VAL   3          1HG1      VAL   3  -8.222  -9.510  20.589
   21   HG12  VAL   3          2HG1      VAL   3  -6.878  -8.352  20.566
   22   HG13  VAL   3          3HG1      VAL   3  -8.362  -7.996  19.665
   23   HG21  VAL   3          3HG2      VAL   3  -6.507 -11.269  19.829
   24   HG22  VAL   3          1HG2      VAL   3  -5.634 -11.017  18.296
   25   HG23  VAL   3          2HG2      VAL   3  -5.244 -10.033  19.711
   26    H    ALA   4           H        ALA   4  -7.360  -8.269  16.086
   27    HA   ALA   4           HA       ALA   4  -7.225  -9.856  13.697
   28    HB1  ALA   4           3HB      ALA   4  -7.408  -7.376  13.718
   29    HB2  ALA   4           1HB      ALA   4  -5.789  -7.266  14.450
   30    HB3  ALA   4           2HB      ALA   4  -5.987  -7.916  12.812
   31    H    ASP   5           H        ASP   5  -5.035  -9.992  12.514
   32    HA   ASP   5           HA       ASP   5  -2.619 -10.304  14.086
   33    HB2  ASP   5           2HB      ASP   5  -3.519 -12.600  14.285
   34    HB3  ASP   5           3HB      ASP   5  -3.820 -12.657  12.547
   35    H    LEU   6           H        LEU   6  -0.801 -10.125  12.573
   36    HA   LEU   6           HA       LEU   6  -1.312  -8.333  10.489
   37    HG   LEU   6           HG       LEU   6   0.833  -8.690  12.898
   38    HB2  LEU   6           2HB      LEU   6   1.116 -10.122  10.924
   39    HB3  LEU   6           3HB      LEU   6   1.042  -8.726   9.865
   40   HD11  LEU   6          1HD1      LEU   6   2.940  -7.527  11.034
   41   HD12  LEU   6          2HD1      LEU   6   2.965  -7.528  12.805
   42   HD13  LEU   6          3HD1      LEU   6   3.103  -9.053  11.930
   43   HD21  LEU   6          3HD2      LEU   6   0.648  -6.375  10.920
   44   HD22  LEU   6          1HD2      LEU   6  -0.604  -6.906  12.070
   45   HD23  LEU   6          2HD2      LEU   6   0.888  -6.200  12.672
   46    H    ALA   7           H        ALA   7  -1.135 -11.908  10.308
   47    HA   ALA   7           HA       ALA   7  -0.863 -12.001   7.471
   48    HB1  ALA   7           3HB      ALA   7  -0.326 -13.905   8.956
   49    HB2  ALA   7           1HB      ALA   7  -2.048 -14.051   9.389
   50    HB3  ALA   7           2HB      ALA   7  -1.520 -14.358   7.724
   51    H    LEU   8           H        LEU   8  -3.605 -11.366   9.576
   52    HA   LEU   8           HA       LEU   8  -5.621 -12.200   7.600
   53    HG   LEU   8           HG       LEU   8  -5.042 -13.141  10.566
   54    HB2  LEU   8           2HB      LEU   8  -5.909 -10.803  10.293
   55    HB3  LEU   8           3HB      LEU   8  -7.228 -11.421   9.314
   56   HD11  LEU   8          1HD1      LEU   8  -7.959 -12.751  11.360
   57   HD12  LEU   8          2HD1      LEU   8  -6.812 -13.890  12.103
   58   HD13  LEU   8          3HD1      LEU   8  -6.541 -12.150  12.247
   59   HD21  LEU   8          3HD2      LEU   8  -7.581 -13.935   9.072
   60   HD22  LEU   8          1HD2      LEU   8  -5.907 -14.211   8.537
   61   HD23  LEU   8          2HD2      LEU   8  -6.519 -15.047   9.964
   62    H    ILE   9           H        ILE   9  -3.916  -9.254   8.509
   63    HA   ILE   9           HA       ILE   9  -5.904  -7.390   7.710
   64    HB   ILE   9           HB       ILE   9  -2.892  -7.037   7.635
   65   HG12  ILE   9          2HG1      ILE   9  -4.881  -6.399   9.875
   66   HG13  ILE   9          3HG1      ILE   9  -3.744  -7.749   9.886
   67   HG21  ILE   9          1HG2      ILE   9  -5.111  -4.953   7.793
   68   HG22  ILE   9          2HG2      ILE   9  -3.366  -4.620   7.799
   69   HG23  ILE   9          3HG2      ILE   9  -4.117  -5.289   6.362
   70   HD11  ILE   9          3HD1      ILE   9  -1.847  -6.107   9.760
   71   HD12  ILE   9          1HD1      ILE   9  -3.042  -4.813  10.030
   72   HD13  ILE   9          2HD1      ILE   9  -2.810  -6.066  11.253
   73    HA   PRO  10           HA       PRO  10  -5.953  -8.095   3.221
   74    HB2  PRO  10           2HB      PRO  10  -6.507  -5.118   3.415
   75    HB3  PRO  10           3HB      PRO  10  -7.242  -6.319   2.298
   76    HG2  PRO  10           2HG      PRO  10  -8.573  -5.575   4.524
   77    HG3  PRO  10           3HG      PRO  10  -8.467  -7.322   4.119
   78    HD2  PRO  10           2HD      PRO  10  -6.837  -5.748   6.121
   79    HD3  PRO  10           3HD      PRO  10  -7.556  -7.380   6.275
   80    H    ASP  11           H        ASP  11  -4.051  -8.341   2.175
   81    HA   ASP  11           HA       ASP  11  -1.759  -6.828   2.963
   82    HB2  ASP  11           2HB      ASP  11  -2.036  -9.317   2.186
   83    HB3  ASP  11           3HB      ASP  11  -1.827  -8.664   0.557
   84    H    VAL  12           H        VAL  12  -3.850  -6.758   0.108
   85    HA   VAL  12           HA       VAL  12  -2.703  -4.162  -0.716
   86    HB   VAL  12           HB       VAL  12  -3.367  -6.438  -2.635
   87   HG11  VAL  12          1HG1      VAL  12  -2.233  -3.658  -3.190
   88   HG12  VAL  12          2HG1      VAL  12  -2.473  -4.949  -4.382
   89   HG13  VAL  12          3HG1      VAL  12  -3.869  -4.220  -3.595
   90   HG21  VAL  12          3HG2      VAL  12  -0.646  -5.264  -1.928
   91   HG22  VAL  12          1HG2      VAL  12  -1.204  -6.910  -1.561
   92   HG23  VAL  12          2HG2      VAL  12  -0.971  -6.424  -3.236
   93    H    ASP  13           H        ASP  13  -4.389  -2.739  -1.159
   94    HA   ASP  13           HA       ASP  13  -6.917  -3.705  -2.120
   95    HB2  ASP  13           2HB      ASP  13  -7.260  -3.877   0.401
   96    HB3  ASP  13           3HB      ASP  13  -6.970  -2.149   0.508
   97    H    ILE  14           H        ILE  14  -6.979  -2.340  -3.836
   98    HA   ILE  14           HA       ILE  14  -6.345   0.498  -3.504
   99    HB   ILE  14           HB       ILE  14  -4.808   0.521  -5.380
  100   HG12  ILE  14          2HG1      ILE  14  -5.087  -2.507  -5.429
  101   HG13  ILE  14          3HG1      ILE  14  -5.479  -1.341  -6.697
  102   HG21  ILE  14          1HG2      ILE  14  -3.716  -1.475  -3.370
  103   HG22  ILE  14          2HG2      ILE  14  -2.833  -0.231  -4.288
  104   HG23  ILE  14          3HG2      ILE  14  -3.962   0.243  -3.024
  105   HD11  ILE  14          3HD1      ILE  14  -3.034  -0.792  -6.893
  106   HD12  ILE  14          1HD1      ILE  14  -2.697  -2.106  -5.742
  107   HD13  ILE  14          2HD1      ILE  14  -3.447  -2.469  -7.301
  108    H    ASP  15           H        ASP  15  -6.970   1.704  -5.512
  109    HA   ASP  15           HA       ASP  15  -9.662   1.176  -6.119
  110    HB2  ASP  15           2HB      ASP  15  -9.048   3.380  -6.253
  111    HB3  ASP  15           3HB      ASP  15  -7.577   3.055  -7.157
  112    H    SER  16           H        SER  16  -6.795   0.263  -8.001
  113    HA   SER  16           HA       SER  16  -6.472  -1.024  -9.813
  114    HG   SER  16           HG       SER  16  -7.533  -3.641  -7.597
  115    HB2  SER  16           2HB      SER  16  -8.980  -2.428  -8.820
  116    HB3  SER  16           3HB      SER  16  -7.722  -3.128  -9.847
  117    H    ASP  17           H        ASP  17  -8.499   1.344 -10.321
  118    HA   ASP  17           HA       ASP  17  -9.668   0.242 -12.853
  119    HB2  ASP  17           2HB      ASP  17 -11.415   0.372 -11.255
  120    HB3  ASP  17           3HB      ASP  17 -10.882   1.944 -10.672
  121    H    GLY  18           H        GLY  18  -8.022   2.986 -11.301
  122    HA2  GLY  18           2HA      GLY  18  -7.500   4.086 -14.020
  123    HA3  GLY  18           1HA      GLY  18  -8.208   5.141 -12.793
  124    H    VAL  19           H        VAL  19  -6.156   6.354 -13.265
  125    HA   VAL  19           HA       VAL  19  -3.710   5.356 -11.967
  126    HB   VAL  19           HB       VAL  19  -4.469   8.054 -13.182
  127   HG11  VAL  19          1HG1      VAL  19  -1.737   7.081 -12.237
  128   HG12  VAL  19          2HG1      VAL  19  -2.055   8.581 -13.131
  129   HG13  VAL  19          3HG1      VAL  19  -2.706   8.376 -11.502
  130   HG21  VAL  19          3HG2      VAL  19  -2.733   5.791 -14.265
  131   HG22  VAL  19          1HG2      VAL  19  -4.307   6.301 -14.903
  132   HG23  VAL  19          2HG2      VAL  19  -2.924   7.388 -15.020
  133    H    PHE  20           H        PHE  20  -3.081   5.994  -9.852
  134    HA   PHE  20           HA       PHE  20  -4.480   8.102  -8.418
  135    HD1  PHE  20           HD1      PHE  20  -3.521   4.669  -5.983
  136    HD2  PHE  20           HD2      PHE  20  -6.258   4.438  -9.298
  137    HE1  PHE  20           HE1      PHE  20  -3.141   2.235  -6.123
  138    HE2  PHE  20           HE2      PHE  20  -5.826   2.015  -9.486
  139    HZ   PHE  20           HZ       PHE  20  -4.262   0.896  -7.904
  140    HB2  PHE  20           2HB      PHE  20  -5.141   6.563  -6.530
  141    HB3  PHE  20           3HB      PHE  20  -6.135   6.458  -7.964
  142    H    LYS  21           H        LYS  21  -3.516   8.424  -6.240
  143    HA   LYS  21           HA       LYS  21  -0.656   7.704  -6.127
  144    HB2  LYS  21           2HB      LYS  21  -2.460   9.461  -4.401
  145    HB3  LYS  21           3HB      LYS  21  -0.830   9.002  -3.968
  146    HG2  LYS  21           2HG      LYS  21  -0.575  11.115  -4.834
  147    HG3  LYS  21           3HG      LYS  21  -0.001  10.054  -6.122
  148    HD2  LYS  21           2HD      LYS  21  -2.123  10.367  -7.347
  149    HD3  LYS  21           3HD      LYS  21  -2.787  11.320  -6.016
  150    HE2  LYS  21           2HE      LYS  21  -0.379  12.067  -7.745
  151    HE3  LYS  21           3HE      LYS  21  -2.014  12.708  -7.918
  152    HZ1  LYS  21           3HZ      LYS  21  -1.790  13.607  -5.628
  153    HZ2  LYS  21           1HZ      LYS  21  -0.222  13.144  -5.607
  154    HZ3  LYS  21           2HZ      LYS  21  -0.721  14.258  -6.687
  155    H    TYR  22           H        TYR  22   0.174   6.506  -4.304
  156    HA   TYR  22           HA       TYR  22  -1.750   4.989  -2.682
  157    HD1  TYR  22           HD1      TYR  22   0.148   1.815  -2.217
  158    HD2  TYR  22           HD2      TYR  22   1.631   4.261  -5.440
  159    HE1  TYR  22           HE1      TYR  22   2.452   1.173  -1.622
  160    HE2  TYR  22           HE2      TYR  22   3.958   3.602  -4.864
  161    HH   TYR  22           HH       TYR  22   4.674   1.679  -1.930
  162    HB2  TYR  22           2HB      TYR  22  -1.346   2.968  -3.651
  163    HB3  TYR  22           3HB      TYR  22  -0.848   3.882  -5.047
  164    H    VAL  23           H        VAL  23  -0.580   3.892  -0.842
  165    HA   VAL  23           HA       VAL  23   2.121   4.961  -0.287
  166    HB   VAL  23           HB       VAL  23   1.545   5.237   2.104
  167   HG11  VAL  23          1HG1      VAL  23   0.013   7.081   0.239
  168   HG12  VAL  23          2HG1      VAL  23   0.513   7.444   1.904
  169   HG13  VAL  23          3HG1      VAL  23   1.738   7.188   0.657
  170   HG21  VAL  23          3HG2      VAL  23  -1.352   5.029   1.194
  171   HG22  VAL  23          1HG2      VAL  23  -0.502   3.886   2.226
  172   HG23  VAL  23          2HG2      VAL  23  -0.794   5.537   2.803
  173    H    LEU  24           H        LEU  24   3.339   3.712   1.160
  174    HA   LEU  24           HA       LEU  24   2.585   0.825   1.235
  175    HG   LEU  24           HG       LEU  24   6.204   0.007   0.434
  176    HB2  LEU  24           2HB      LEU  24   4.585   1.714  -0.185
  177    HB3  LEU  24           3HB      LEU  24   5.375   2.072   1.322
  178   HD11  LEU  24          1HD1      LEU  24   4.369  -0.831   2.706
  179   HD12  LEU  24          2HD1      LEU  24   5.950  -1.496   2.243
  180   HD13  LEU  24          3HD1      LEU  24   5.843   0.135   2.928
  181   HD21  LEU  24          3HD2      LEU  24   3.401  -1.165   0.505
  182   HD22  LEU  24          1HD2      LEU  24   4.189  -0.527  -0.958
  183   HD23  LEU  24          2HD2      LEU  24   4.891  -1.907  -0.125
  184    H    ILE  25           H        ILE  25   1.993   0.345   3.382
  185    HA   ILE  25           HA       ILE  25   3.158   2.088   5.518
  186    HB   ILE  25           HB       ILE  25   0.450   0.794   5.754
  187   HG12  ILE  25          2HG1      ILE  25   0.981   3.574   4.617
  188   HG13  ILE  25          3HG1      ILE  25   0.231   2.213   3.772
  189   HG21  ILE  25          1HG2      ILE  25   1.626   3.272   7.075
  190   HG22  ILE  25          2HG2      ILE  25   0.155   2.393   7.549
  191   HG23  ILE  25          3HG2      ILE  25   1.723   1.644   7.764
  192   HD11  ILE  25          3HD1      ILE  25  -1.650   2.242   5.423
  193   HD12  ILE  25          1HD1      ILE  25  -0.958   3.720   6.136
  194   HD13  ILE  25          2HD1      ILE  25  -1.519   3.724   4.459
  195    H    ARG  26           H        ARG  26   4.348   1.092   6.961
  196    HA   ARG  26           HA       ARG  26   4.481  -1.841   7.115
  197    HE   ARG  26           HE       ARG  26   7.955  -2.849   7.570
  198    HB2  ARG  26           2HB      ARG  26   6.516  -0.489   7.330
  199    HB3  ARG  26           3HB      ARG  26   5.840   0.405   8.691
  200    HG2  ARG  26           2HG      ARG  26   5.954  -1.453  10.148
  201    HG3  ARG  26           3HG      ARG  26   6.101  -2.624   8.833
  202    HD2  ARG  26           2HD      ARG  26   8.242  -0.543   9.396
  203    HD3  ARG  26           3HD      ARG  26   8.224  -2.152  10.150
  204   HH11  ARG  26          1HH2      ARG  26  10.382  -0.709   9.076
  205   HH12  ARG  26          2HH2      ARG  26  11.603  -1.126   7.931
  206   HH21  ARG  26          1HH1      ARG  26   9.430  -3.383   6.192
  207   HH22  ARG  26          2HH1      ARG  26  11.062  -2.732   6.185
  208    H    VAL  27           H        VAL  27   3.785  -2.990   8.918
  209    HA   VAL  27           HA       VAL  27   2.062  -1.643  10.911
  210    HB   VAL  27           HB       VAL  27   1.427  -4.327   9.617
  211   HG11  VAL  27          1HG1      VAL  27  -0.283  -2.369  11.206
  212   HG12  VAL  27          2HG1      VAL  27  -0.814  -3.933  10.570
  213   HG13  VAL  27          3HG1      VAL  27   0.413  -3.874  11.836
  214   HG21  VAL  27          3HG2      VAL  27   0.282  -1.639   8.763
  215   HG22  VAL  27          1HG2      VAL  27   1.205  -2.778   7.757
  216   HG23  VAL  27          2HG2      VAL  27  -0.401  -3.220   8.331
  217    H    HIS  28           H        HIS  28   2.311  -2.677  12.980
  218    HA   HIS  28           HA       HIS  28   4.359  -4.862  13.176
  219    HD1  HIS  28           HD1      HIS  28   7.070  -3.711  13.272
  220    HD2  HIS  28           HD2      HIS  28   4.541  -0.394  13.857
  221    HE1  HIS  28           HE1      HIS  28   8.309  -1.685  12.347
  222    HB2  HIS  28           2HB      HIS  28   3.837  -2.580  15.122
  223    HB3  HIS  28           3HB      HIS  28   5.058  -3.841  15.276
  224    H    SER  29           H        SER  29   3.924  -6.410  14.889
  225    HA   SER  29           HA       SER  29   1.230  -7.023  15.399
  226    HG   SER  29           HG       SER  29   2.594  -9.672  15.120
  227    HB2  SER  29           2HB      SER  29   3.690  -7.949  16.904
  228    HB3  SER  29           3HB      SER  29   2.091  -8.719  16.918
  229    H    ALA  30           H        ALA  30   0.255  -5.119  16.233
  230    HA   ALA  30           HA       ALA  30   0.295  -5.141  19.193
  231    HB1  ALA  30           3HB      ALA  30   1.570  -3.144  18.462
  232    HB2  ALA  30           1HB      ALA  30   0.168  -2.600  17.515
  233    HB3  ALA  30           2HB      ALA  30   0.063  -2.709  19.282
  234    HA   PRO  31           HA       PRO  31  -4.084  -5.327  17.125
  235    HB2  PRO  31           2HB      PRO  31  -3.900  -8.105  18.327
  236    HB3  PRO  31           3HB      PRO  31  -4.901  -7.539  16.951
  237    HG2  PRO  31           2HG      PRO  31  -2.581  -8.902  16.532
  238    HG3  PRO  31           3HG      PRO  31  -3.033  -7.507  15.497
  239    HD2  PRO  31           2HD      PRO  31  -1.048  -7.617  17.760
  240    HD3  PRO  31           3HD      PRO  31  -0.997  -6.757  16.188
  241    H    ARG  32           H        ARG  32  -5.784  -4.873  18.509
  242    HA   ARG  32           HA       ARG  32  -6.431  -3.665  20.194
  243    HE   ARG  32           HE       ARG  32  -7.215  -2.152  22.320
  244    HB2  ARG  32           2HB      ARG  32  -7.446  -5.883  20.570
  245    HB3  ARG  32           3HB      ARG  32  -6.198  -6.241  21.762
  246    HG2  ARG  32           2HG      ARG  32  -8.305  -5.627  22.808
  247    HG3  ARG  32           3HG      ARG  32  -7.085  -4.465  23.249
  248    HD2  ARG  32           2HD      ARG  32  -9.200  -4.049  21.105
  249    HD3  ARG  32           3HD      ARG  32  -9.341  -3.495  22.774
  250   HH11  ARG  32          1HH1      ARG  32  -9.823  -2.593  19.964
  251   HH12  ARG  32          2HH1      ARG  32  -9.201  -1.440  18.830
  252   HH21  ARG  32          1HH2      ARG  32  -6.361  -0.615  20.803
  253   HH22  ARG  32          2HH2      ARG  32  -7.301  -0.168  19.417
  254    H    SER  33           H        SER  33  -3.821  -3.092  19.825
  255    HA   SER  33           HA       SER  33  -2.320  -1.726  20.641
  256    HG   SER  33           HG       SER  33  -4.892   0.205  22.238
  257    HB2  SER  33           2HB      SER  33  -3.770  -1.573  23.295
  258    HB3  SER  33           3HB      SER  33  -2.777  -0.347  22.503
  259    H    GLY  34           H        GLY  34  -2.417  -4.842  21.527
  260    HA2  GLY  34           2HA      GLY  34   0.286  -4.945  22.167
  261    HA3  GLY  34           1HA      GLY  34  -0.562  -4.977  23.720
  262    H    ALA  35           H        ALA  35   0.943  -7.025  21.916
  263    HA   ALA  35           HA       ALA  35  -0.833  -9.321  22.348
  264    HB1  ALA  35           3HB      ALA  35  -1.380  -8.569  20.045
  265    HB2  ALA  35           1HB      ALA  35   0.352  -8.549  19.628
  266    HB3  ALA  35           2HB      ALA  35  -0.464 -10.082  19.983
  267    HA   PRO  36           HA       PRO  36   3.165 -10.967  23.354
  268    HB2  PRO  36           2HB      PRO  36   2.997 -13.655  22.781
  269    HB3  PRO  36           3HB      PRO  36   2.140 -12.869  24.141
  270    HG2  PRO  36           2HG      PRO  36   1.055 -13.531  21.388
  271    HG3  PRO  36           3HG      PRO  36   0.303 -13.854  22.984
  272    HD2  PRO  36           2HD      PRO  36  -0.393 -11.695  21.492
  273    HD3  PRO  36           3HD      PRO  36  -0.281 -11.583  23.271
  274    H    ALA  37           H        ALA  37   2.022 -11.462  20.065
  275    HA   ALA  37           HA       ALA  37   4.551 -12.233  18.884
  276    HB1  ALA  37           3HB      ALA  37   2.403 -12.666  17.757
  277    HB2  ALA  37           1HB      ALA  37   2.071 -10.921  17.675
  278    HB3  ALA  37           2HB      ALA  37   3.425 -11.616  16.759
  279    H    ALA  38           H        ALA  38   5.901 -10.855  17.563
  280    HA   ALA  38           HA       ALA  38   5.729  -7.931  17.909
  281    HB1  ALA  38           3HB      ALA  38   7.057  -8.744  19.852
  282    HB2  ALA  38           1HB      ALA  38   8.170  -9.570  18.734
  283    HB3  ALA  38           2HB      ALA  38   8.042  -7.796  18.726
  284    H    GLU  39           H        GLU  39   5.142  -9.487  15.653
  285    HA   GLU  39           HA       GLU  39   7.513  -9.492  13.904
  286    HB2  GLU  39           2HB      GLU  39   4.617 -10.273  13.339
  287    HB3  GLU  39           3HB      GLU  39   5.993 -10.533  12.275
  288    HG2  GLU  39           2HG      GLU  39   5.461 -11.884  14.950
  289    HG3  GLU  39           3HG      GLU  39   5.378 -12.610  13.354
  290    H    SER  40           H        SER  40   6.789  -8.615  11.580
  291    HA   SER  40           HA       SER  40   5.126  -6.221  11.718
  292    HG   SER  40           HG       SER  40   8.626  -5.153  12.282
  293    HB2  SER  40           2HB      SER  40   7.908  -6.111  10.534
  294    HB3  SER  40           3HB      SER  40   6.758  -4.780  10.654
  295    H    LYS  41           H        LYS  41   4.606  -5.465   9.541
  296    HA   LYS  41           HA       LYS  41   4.762  -7.354   7.290
  297    HB2  LYS  41           2HB      LYS  41   2.984  -8.245   8.709
  298    HB3  LYS  41           3HB      LYS  41   2.235  -6.668   8.867
  299    HG2  LYS  41           2HG      LYS  41   2.347  -7.555   6.043
  300    HG3  LYS  41           3HG      LYS  41   1.584  -8.745   7.090
  301    HD2  LYS  41           2HD      LYS  41   0.010  -7.088   7.968
  302    HD3  LYS  41           3HD      LYS  41   0.801  -5.810   7.052
  303    HE2  LYS  41           2HE      LYS  41  -1.301  -6.474   6.020
  304    HE3  LYS  41           3HE      LYS  41   0.061  -6.764   4.932
  305    HZ1  LYS  41           3HZ      LYS  41  -0.226  -8.982   5.065
  306    HZ2  LYS  41           1HZ      LYS  41  -0.960  -8.975   6.576
  307    HZ3  LYS  41           2HZ      LYS  41  -1.784  -8.520   5.240
  308    H    GLU  42           H        GLU  42   3.419  -6.176   5.418
  309    HA   GLU  42           HA       GLU  42   3.339  -3.254   5.793
  310    HB2  GLU  42           2HB      GLU  42   4.797  -4.703   3.536
  311    HB3  GLU  42           3HB      GLU  42   4.278  -3.035   3.465
  312    HG2  GLU  42           2HG      GLU  42   6.521  -2.884   3.986
  313    HG3  GLU  42           3HG      GLU  42   5.714  -2.567   5.503
  314    H    ILE  43           H        ILE  43   1.812  -2.264   4.383
  315    HA   ILE  43           HA       ILE  43   0.077  -4.061   2.790
  316    HB   ILE  43           HB       ILE  43  -1.876  -2.706   3.522
  317   HG12  ILE  43          2HG1      ILE  43  -0.128  -1.685   5.789
  318   HG13  ILE  43          3HG1      ILE  43  -0.680  -0.722   4.415
  319   HG21  ILE  43          1HG2      ILE  43  -0.530  -4.191   5.795
  320   HG22  ILE  43          2HG2      ILE  43  -2.276  -3.974   5.535
  321   HG23  ILE  43          3HG2      ILE  43  -1.350  -4.949   4.399
  322   HD11  ILE  43          3HD1      ILE  43  -3.045  -1.087   5.116
  323   HD12  ILE  43          1HD1      ILE  43  -2.483  -1.963   6.555
  324   HD13  ILE  43          2HD1      ILE  43  -2.077  -0.260   6.345
  325    H    VAL  44           H        VAL  44  -0.968  -3.067   1.065
  326    HA   VAL  44           HA       VAL  44   0.263  -0.526   0.072
  327    HB   VAL  44           HB       VAL  44  -0.876  -2.906  -1.460
  328   HG11  VAL  44          1HG1      VAL  44   0.812  -0.594  -2.487
  329   HG12  VAL  44          2HG1      VAL  44   0.142  -1.928  -3.440
  330   HG13  VAL  44          3HG1      VAL  44  -0.946  -0.743  -2.712
  331   HG21  VAL  44          3HG2      VAL  44   2.049  -2.225  -1.014
  332   HG22  VAL  44          1HG2      VAL  44   1.187  -3.634  -0.357
  333   HG23  VAL  44          2HG2      VAL  44   1.426  -3.483  -2.098
  334    H    ARG  45           H        ARG  45  -1.197   1.134  -0.001
  335    HA   ARG  45           HA       ARG  45  -4.117   0.580  -0.402
  336    HE   ARG  45           HE       ARG  45  -4.335  -1.093   0.883
  337    HB2  ARG  45           2HB      ARG  45  -2.829   2.688   1.400
  338    HB3  ARG  45           3HB      ARG  45  -4.548   2.553   1.081
  339    HG2  ARG  45           2HG      ARG  45  -2.864   0.537   2.637
  340    HG3  ARG  45           3HG      ARG  45  -3.888   1.802   3.282
  341    HD2  ARG  45           2HD      ARG  45  -5.358   0.021   3.453
  342    HD3  ARG  45           3HD      ARG  45  -5.799   0.608   1.854
  343   HH11  ARG  45          1HH2      ARG  45  -5.562  -1.798   4.175
  344   HH12  ARG  45          2HH2      ARG  45  -4.903  -3.403   4.170
  345   HH21  ARG  45          1HH1      ARG  45  -3.444  -3.106   0.985
  346   HH22  ARG  45          2HH1      ARG  45  -3.760  -4.185   2.338
  347    H    GLY  46           H        GLY  46  -5.084   2.127  -1.883
  348    HA2  GLY  46           2HA      GLY  46  -4.024   4.686  -2.364
  349    HA3  GLY  46           1HA      GLY  46  -3.377   3.612  -3.612
  350    H    TYR  47           H        TYR  47  -5.544   5.865  -3.460
  351    HA   TYR  47           HA       TYR  47  -7.494   4.529  -5.191
  352    HD1  TYR  47           HD1      TYR  47  -7.078   5.035  -1.014
  353    HD2  TYR  47           HD2      TYR  47  -9.491   2.513  -3.538
  354    HE1  TYR  47           HE1      TYR  47  -6.902   3.213   0.662
  355    HE2  TYR  47           HE2      TYR  47  -9.313   0.674  -1.879
  356    HH   TYR  47           HH       TYR  47  -7.669   1.108   1.281
  357    HB2  TYR  47           2HB      TYR  47  -8.510   5.976  -2.731
  358    HB3  TYR  47           3HB      TYR  47  -9.420   4.976  -3.845
  359    H    LYS  48           H        LYS  48  -8.945   6.119  -6.207
  360    HA   LYS  48           HA       LYS  48  -7.596   8.466  -6.998
  361    HB2  LYS  48           2HB      LYS  48 -10.605   7.992  -7.131
  362    HB3  LYS  48           3HB      LYS  48  -9.659   9.132  -8.088
  363    HG2  LYS  48           2HG      LYS  48  -8.398   7.112  -9.047
  364    HG3  LYS  48           3HG      LYS  48  -9.616   6.095  -8.250
  365    HD2  LYS  48           2HD      LYS  48 -11.395   7.494  -9.494
  366    HD3  LYS  48           3HD      LYS  48 -10.057   8.224 -10.379
  367    HE2  LYS  48           2HE      LYS  48 -10.763   6.563 -11.831
  368    HE3  LYS  48           3HE      LYS  48  -9.381   5.802 -11.032
  369    HZ1  LYS  48           3HZ      LYS  48 -10.893   4.529  -9.684
  370    HZ2  LYS  48           1HZ      LYS  48 -12.197   5.382 -10.214
  371    HZ3  LYS  48           2HZ      LYS  48 -11.413   4.395 -11.242
  372    H    TRP  49           H        TRP  49  -9.969   8.011  -4.345
  373    HA   TRP  49           HA       TRP  49 -10.464  10.782  -3.971
  374    HD1  TRP  49           HD1      TRP  49 -12.444   6.915  -3.185
  375    HE1  TRP  49           HE1      TRP  49 -11.849   4.903  -1.741
  376    HE3  TRP  49           HE3      TRP  49  -9.019   9.129  -0.088
  377    HZ2  TRP  49           HZ2      TRP  49 -10.114   4.320   0.532
  378    HZ3  TRP  49           HZ3      TRP  49  -7.837   7.806   1.613
  379    HH2  TRP  49           HH2      TRP  49  -8.352   5.379   1.923
  380    HB2  TRP  49           2HB      TRP  49 -11.266  10.062  -1.685
  381    HB3  TRP  49           3HB      TRP  49 -12.069   9.411  -3.091
  382    H    ALA  50           H        ALA  50  -7.749   8.774  -2.828
  383    HA   ALA  50           HA       ALA  50  -6.827  10.931  -1.055
  384    HB1  ALA  50           3HB      ALA  50  -6.457   8.729  -0.244
  385    HB2  ALA  50           1HB      ALA  50  -5.608   8.244  -1.746
  386    HB3  ALA  50           2HB      ALA  50  -4.911   9.474  -0.656
  387    H    GLU  51           H        GLU  51  -6.929  12.445  -2.902
  388    HA   GLU  51           HA       GLU  51  -5.069  12.303  -5.054
  389    HB2  GLU  51           2HB      GLU  51  -7.090  13.752  -4.912
  390    HB3  GLU  51           3HB      GLU  51  -6.303  14.739  -3.679
  391    HG2  GLU  51           2HG      GLU  51  -4.599  15.458  -5.295
  392    HG3  GLU  51           3HG      GLU  51  -5.228  14.334  -6.505
  393    H    TYR  52           H        TYR  52  -4.521  12.810  -1.670
  394    HA   TYR  52           HA       TYR  52  -1.731  13.666  -2.145
  395    HD1  TYR  52           HD1      TYR  52  -4.682  15.876  -2.085
  396    HD2  TYR  52           HD2      TYR  52  -3.790  14.536   1.905
  397    HE1  TYR  52           HE1      TYR  52  -6.978  16.520  -1.372
  398    HE2  TYR  52           HE2      TYR  52  -6.067  15.182   2.645
  399    HH   TYR  52           HH       TYR  52  -8.490  16.615   0.402
  400    HB2  TYR  52           2HB      TYR  52  -2.054  14.695   0.265
  401    HB3  TYR  52           3HB      TYR  52  -2.325  15.614  -1.206
  402    H    HIS  53           H        HIS  53  -0.209  12.681  -0.643
  403    HA   HIS  53           HA       HIS  53  -0.996   9.921  -0.282
  404    HD2  HIS  53           HD2      HIS  53   1.052   8.151  -1.526
  405    HE1  HIS  53           HE1      HIS  53   2.459  10.962  -4.392
  406    HE2  HIS  53           HE2      HIS  53   1.862   8.514  -3.985
  407    HB2  HIS  53           2HB      HIS  53   1.547  11.444   0.397
  408    HB3  HIS  53           3HB      HIS  53   1.345   9.719   0.638
  409    H    ALA  54           H        ALA  54  -0.395  12.639   2.001
  410    HA   ALA  54           HA       ALA  54  -0.650  11.249   4.390
  411    HB1  ALA  54           3HB      ALA  54  -0.185  13.668   4.278
  412    HB2  ALA  54           1HB      ALA  54  -1.856  13.973   3.737
  413    HB3  ALA  54           2HB      ALA  54  -1.542  13.333   5.362
  414    H    ASP  55           H        ASP  55  -3.289  11.826   2.043
  415    HA   ASP  55           HA       ASP  55  -5.385  11.701   3.973
  416    HB2  ASP  55           2HB      ASP  55  -5.546  12.540   1.550
  417    HB3  ASP  55           3HB      ASP  55  -5.638  10.874   1.062
  418    H    ILE  56           H        ILE  56  -4.041   9.160   1.804
  419    HA   ILE  56           HA       ILE  56  -5.696   7.069   2.900
  420    HB   ILE  56           HB       ILE  56  -3.556   5.680   1.947
  421   HG12  ILE  56          2HG1      ILE  56  -3.397   8.293   0.433
  422   HG13  ILE  56          3HG1      ILE  56  -2.127   7.326   1.179
  423   HG21  ILE  56          1HG2      ILE  56  -5.872   6.657   0.292
  424   HG22  ILE  56          2HG2      ILE  56  -4.913   5.177   0.047
  425   HG23  ILE  56          3HG2      ILE  56  -5.898   5.346   1.491
  426   HD11  ILE  56          3HD1      ILE  56  -2.569   5.590  -0.618
  427   HD12  ILE  56          1HD1      ILE  56  -3.732   6.718  -1.350
  428   HD13  ILE  56          2HD1      ILE  56  -2.021   7.164  -1.241
  429    H    TYR  57           H        TYR  57  -2.405   8.294   3.650
  430    HA   TYR  57           HA       TYR  57  -1.779   6.130   5.381
  431    HD1  TYR  57           HD1      TYR  57   0.206   5.583   6.486
  432    HD2  TYR  57           HD2      TYR  57   0.383   9.842   7.134
  433    HE1  TYR  57           HE1      TYR  57   1.399   5.188   8.591
  434    HE2  TYR  57           HE2      TYR  57   1.639   9.470   9.235
  435    HH   TYR  57           HH       TYR  57   2.298   6.196  10.543
  436    HB2  TYR  57           2HB      TYR  57  -0.041   7.621   4.550
  437    HB3  TYR  57           3HB      TYR  57  -0.814   9.020   5.293
  438    H    ASP  58           H        ASP  58  -3.233   9.377   6.155
  439    HA   ASP  58           HA       ASP  58  -3.478   8.852   8.932
  440    HB2  ASP  58           2HB      ASP  58  -3.644  11.105   8.013
  441    HB3  ASP  58           3HB      ASP  58  -5.104  10.668   7.115
  442    H    LYS  59           H        LYS  59  -5.805   8.371   6.227
  443    HA   LYS  59           HA       LYS  59  -8.019   7.486   7.739
  444    HB2  LYS  59           2HB      LYS  59  -8.235   8.119   5.468
  445    HB3  LYS  59           3HB      LYS  59  -7.070   6.922   4.909
  446    HG2  LYS  59           2HG      LYS  59  -8.554   5.206   4.884
  447    HG3  LYS  59           3HG      LYS  59  -9.458   5.787   6.305
  448    HD2  LYS  59           2HD      LYS  59 -10.560   7.500   5.017
  449    HD3  LYS  59           3HD      LYS  59  -9.564   7.152   3.595
  450    HE2  LYS  59           2HE      LYS  59 -10.537   4.829   3.535
  451    HE3  LYS  59           3HE      LYS  59 -11.600   5.272   4.877
  452    HZ1  LYS  59           3HZ      LYS  59 -12.571   6.980   3.443
  453    HZ2  LYS  59           1HZ      LYS  59 -11.581   6.558   2.205
  454    HZ3  LYS  59           2HZ      LYS  59 -12.711   5.513   2.750
  455    H    VAL  60           H        VAL  60  -5.441   5.487   6.163
  456    HA   VAL  60           HA       VAL  60  -6.707   3.122   7.242
  457    HB   VAL  60           HB       VAL  60  -4.176   3.477   5.597
  458   HG11  VAL  60          1HG1      VAL  60  -5.774   0.966   6.369
  459   HG12  VAL  60          2HG1      VAL  60  -4.420   1.004   5.223
  460   HG13  VAL  60          3HG1      VAL  60  -4.130   1.351   6.911
  461   HG21  VAL  60          3HG2      VAL  60  -7.084   2.713   4.947
  462   HG22  VAL  60          1HG2      VAL  60  -6.247   4.190   4.428
  463   HG23  VAL  60          2HG2      VAL  60  -5.766   2.641   3.781
  464    H    SER  61           H        SER  61  -3.618   4.911   8.112
  465    HA   SER  61           HA       SER  61  -2.952   2.986  10.117
  466    HG   SER  61           HG       SER  61  -0.775   5.309   8.691
  467    HB2  SER  61           2HB      SER  61  -2.316   5.951   9.964
  468    HB3  SER  61           3HB      SER  61  -1.562   4.784  11.070
  469    H    GLY  62           H        GLY  62  -5.380   5.591  10.038
  470    HA2  GLY  62           2HA      GLY  62  -6.020   5.642  12.815
  471    HA3  GLY  62           1HA      GLY  62  -7.119   5.974  11.457
  472    H    ASP  63           H        ASP  63  -7.447   3.671  10.092
  473    HA   ASP  63           HA       ASP  63  -9.052   2.064  11.783
  474    HB2  ASP  63           2HB      ASP  63  -9.420   2.220   9.371
  475    HB3  ASP  63           3HB      ASP  63  -7.900   1.389   9.068
  476    H    MET  64           H        MET  64  -5.680   1.504  10.640
  477    HA   MET  64           HA       MET  64  -5.352  -1.073  11.793
  478    HB2  MET  64           2HB      MET  64  -3.317   1.181  11.537
  479    HB3  MET  64           3HB      MET  64  -2.930  -0.476  11.943
  480    HG2  MET  64           2HG      MET  64  -4.265   0.327   9.332
  481    HG3  MET  64           3HG      MET  64  -2.555   0.054   9.529
  482    HE1  MET  64           3HE      MET  64  -6.104  -1.491   9.713
  483    HE2  MET  64           1HE      MET  64  -5.468  -1.348   8.040
  484    HE3  MET  64           2HE      MET  64  -5.788  -2.951   8.743
  485    H    GLN  65           H        GLN  65  -4.864   2.185  13.289
  486    HA   GLN  65           HA       GLN  65  -4.218   1.122  15.852
  487    HB2  GLN  65           2HB      GLN  65  -5.115   3.810  14.787
  488    HB3  GLN  65           3HB      GLN  65  -4.897   3.545  16.514
  489    HG2  GLN  65           2HG      GLN  65  -2.534   2.938  16.169
  490    HG3  GLN  65           3HG      GLN  65  -2.721   2.980  14.415
  491   HE21  GLN  65          2HE2      GLN  65  -3.374   5.064  13.435
  492   HE22  GLN  65          1HE2      GLN  65  -2.764   6.562  14.139
  493    H    LYS  66           H        LYS  66  -7.382   1.845  14.328
  494    HA   LYS  66           HA       LYS  66  -8.928   1.513  16.741
  495    HB2  LYS  66           2HB      LYS  66  -9.643   0.861  13.868
  496    HB3  LYS  66           3HB      LYS  66 -10.778   0.833  15.213
  497    HG2  LYS  66           2HG      LYS  66 -10.551   3.236  15.545
  498    HG3  LYS  66           3HG      LYS  66  -9.272   3.317  14.338
  499    HD2  LYS  66           2HD      LYS  66 -11.165   2.176  12.785
  500    HD3  LYS  66           3HD      LYS  66 -12.236   2.959  13.938
  501    HE2  LYS  66           2HE      LYS  66 -10.034   4.303  12.288
  502    HE3  LYS  66           3HE      LYS  66 -11.747   4.306  11.884
  503    HZ1  LYS  66           3HZ      LYS  66 -12.186   5.538  13.928
  504    HZ2  LYS  66           1HZ      LYS  66 -10.595   5.564  14.311
  505    HZ3  LYS  66           2HZ      LYS  66 -11.135   6.350  12.990
  506    H    GLN  67           H        GLN  67  -7.736  -0.884  14.252
  507    HA   GLN  67           HA       GLN  67  -8.702  -3.153  15.760
  508    HB2  GLN  67           2HB      GLN  67  -6.387  -3.006  13.777
  509    HB3  GLN  67           3HB      GLN  67  -7.158  -4.472  14.391
  510    HG2  GLN  67           2HG      GLN  67  -9.307  -3.786  13.339
  511    HG3  GLN  67           3HG      GLN  67  -8.555  -2.314  12.735
  512   HE21  GLN  67          2HE2      GLN  67  -8.322  -2.529  10.477
  513   HE22  GLN  67          1HE2      GLN  67  -7.718  -3.992   9.733
  514    H    GLY  68           H        GLY  68  -5.878  -1.100  16.030
  515    HA2  GLY  68           2HA      GLY  68  -5.085  -0.869  18.392
  516    HA3  GLY  68           1HA      GLY  68  -4.862  -2.625  18.372
  517    H    CYS  69           H        CYS  69  -4.075  -2.372  15.445
  518    HA   CYS  69           HA       CYS  69  -1.352  -2.839  15.775
  519    HG   CYS  69           HG       CYS  69  -2.959  -4.672  12.685
  520    HB2  CYS  69           2HB      CYS  69  -3.082  -2.154  13.368
  521    HB3  CYS  69           3HB      CYS  69  -1.388  -2.619  13.223
  522    H    ASP  70           H        ASP  70   0.495  -1.744  15.100
  523    HA   ASP  70           HA       ASP  70   0.339   1.233  15.269
  524    HB2  ASP  70           2HB      ASP  70   1.445   0.163  17.166
  525    HB3  ASP  70           3HB      ASP  70   2.474  -0.774  16.084
  526    H    CYS  71           H        CYS  71   1.423   2.408  13.627
  527    HA   CYS  71           HA       CYS  71   2.496   0.825  11.357
  528    HG   CYS  71           HG       CYS  71  -1.162   0.915  10.008
  529    HB2  CYS  71           2HB      CYS  71   0.136   2.769  11.404
  530    HB3  CYS  71           3HB      CYS  71   0.925   2.274   9.920
  531    H    GLU  72           H        GLU  72   3.523   2.068   9.645
  532    HA   GLU  72           HA       GLU  72   3.931   4.945   9.963
  533    HB2  GLU  72           2HB      GLU  72   5.772   4.048  11.294
  534    HB3  GLU  72           3HB      GLU  72   6.195   2.891  10.019
  535    HG2  GLU  72           2HG      GLU  72   6.877   4.648   8.534
  536    HG3  GLU  72           3HG      GLU  72   6.210   5.898   9.591
  537    H    CYS  73           H        CYS  73   3.872   5.815   7.816
  538    HA   CYS  73           HA       CYS  73   3.774   3.990   5.544
  539    HG   CYS  73           HG       CYS  73   3.093   8.427   5.297
  540    HB2  CYS  73           2HB      CYS  73   3.831   6.164   4.217
  541    HB3  CYS  73           3HB      CYS  73   2.415   5.892   5.217
  542    H    LEU  74           H        LEU  74   5.563   3.108   4.659
  543    HA   LEU  74           HA       LEU  74   8.248   4.027   5.369
  544    HG   LEU  74           HG       LEU  74   6.798   1.063   5.358
  545    HB2  LEU  74           2HB      LEU  74   7.331   2.072   3.215
  546    HB3  LEU  74           3HB      LEU  74   8.992   2.367   3.710
  547   HD11  LEU  74          1HD1      LEU  74   9.514   0.014   4.449
  548   HD12  LEU  74          2HD1      LEU  74   8.239  -0.893   5.294
  549   HD13  LEU  74          3HD1      LEU  74   7.979  -0.337   3.639
  550   HD21  LEU  74          3HD2      LEU  74   9.607   1.863   6.240
  551   HD22  LEU  74          1HD2      LEU  74   8.063   2.408   6.940
  552   HD23  LEU  74          2HD2      LEU  74   8.564   0.729   7.119
  553    H    GLY  75           H        GLY  75   5.873   4.673   2.858
  554    HA2  GLY  75           2HA      GLY  75   6.748   7.163   2.177
  555    HA3  GLY  75           1HA      GLY  75   7.592   6.101   1.036
  556    H    GLY  76           H        GLY  76   6.161   7.283  -0.559
  557    HA2  GLY  76           2HA      GLY  76   3.934   5.492  -1.156
  558    HA3  GLY  76           1HA      GLY  76   3.484   7.201  -0.969
  559    H    GLY  77           H        GLY  77   2.884   6.394  -3.279
  560    HA2  GLY  77           2HA      GLY  77   4.628   7.626  -5.226
  561    HA3  GLY  77           1HA      GLY  77   4.623   5.856  -5.328
  562    H    ARG  78           H        ARG  78   3.533   6.060  -7.409
  563    HA   ARG  78           HA       ARG  78   0.607   6.493  -7.224
  564    HE   ARG  78           HE       ARG  78  -1.315   9.834 -10.546
  565    HB2  ARG  78           2HB      ARG  78   1.771   8.635  -7.822
  566    HB3  ARG  78           3HB      ARG  78   2.504   7.826  -9.213
  567    HG2  ARG  78           2HG      ARG  78   0.153   7.489 -10.132
  568    HG3  ARG  78           3HG      ARG  78  -0.442   8.448  -8.751
  569    HD2  ARG  78           2HD      ARG  78   1.136  10.299  -9.451
  570    HD3  ARG  78           3HD      ARG  78   1.534   9.337 -10.884
  571   HH11  ARG  78          1HH2      ARG  78   1.714  11.160 -11.879
  572   HH12  ARG  78          2HH2      ARG  78   0.912  12.218 -12.986
  573   HH21  ARG  78          1HH1      ARG  78  -2.367  11.251 -12.044
  574   HH22  ARG  78          2HH1      ARG  78  -1.441  12.251 -13.090
  575    H    ILE  79           H        ILE  79  -0.521   5.299  -8.828
  576    HA   ILE  79           HA       ILE  79   1.121   3.156 -10.091
  577    HB   ILE  79           HB       ILE  79  -1.566   2.898  -8.685
  578   HG12  ILE  79          2HG1      ILE  79   1.276   2.168  -7.899
  579   HG13  ILE  79          3HG1      ILE  79   0.121   3.161  -7.029
  580   HG21  ILE  79          1HG2      ILE  79   0.161   0.735  -9.988
  581   HG22  ILE  79          2HG2      ILE  79  -1.379   0.482  -9.136
  582   HG23  ILE  79          3HG2      ILE  79  -1.361   1.362 -10.647
  583   HD11  ILE  79          3HD1      ILE  79  -1.246   1.109  -6.557
  584   HD12  ILE  79          1HD1      ILE  79   0.031   0.140  -7.329
  585   HD13  ILE  79          2HD1      ILE  79   0.388   1.066  -5.871
  586    H    SER  80           H        SER  80   0.582   2.595 -12.111
  587    HA   SER  80           HA       SER  80  -1.673   3.697 -13.592
  588    HG   SER  80           HG       SER  80   1.918   5.510 -14.280
  589    HB2  SER  80           2HB      SER  80  -0.153   5.003 -15.102
  590    HB3  SER  80           3HB      SER  80  -0.218   5.653 -13.465
  591    H    HIS  81           H        HIS  81   0.060   3.368 -16.074
  592    HA   HIS  81           HA       HIS  81   0.754   0.510 -16.011
  593    HD1  HIS  81           HD1      HIS  81  -3.163   2.378 -17.162
  594    HD2  HIS  81           HD2      HIS  81  -1.633  -1.417 -16.182
  595    HE1  HIS  81           HE1      HIS  81  -5.003   1.172 -15.883
  596    HB2  HIS  81           2HB      HIS  81  -0.830   1.777 -18.277
  597    HB3  HIS  81           3HB      HIS  81  -0.319   0.099 -18.142
  598    H    GLN  82           H        GLN  82   2.196   0.052 -17.962
  599    HA   GLN  82           HA       GLN  82   4.276   2.019 -18.163
  600    HB2  GLN  82           2HB      GLN  82   3.661  -0.427 -19.873
  601    HB3  GLN  82           3HB      GLN  82   5.112   0.570 -20.027
  602    HG2  GLN  82           2HG      GLN  82   5.642   0.076 -17.613
  603    HG3  GLN  82           3HG      GLN  82   4.308  -1.078 -17.588
  604   HE21  GLN  82          2HE2      GLN  82   6.834  -2.027 -16.978
  605   HE22  GLN  82          1HE2      GLN  82   7.529  -2.902 -18.326
  606    H    SER  83           H        SER  83   4.935   3.253 -20.022
  607    HA   SER  83           HA       SER  83   2.949   4.918 -20.904
  608    HG   SER  83           HG       SER  83   6.416   5.918 -20.611
  609    HB2  SER  83           2HB      SER  83   5.630   4.534 -22.280
  610    HB3  SER  83           3HB      SER  83   4.691   6.030 -22.121
  611    H    GLN  84           H        GLN  84   3.937   1.943 -22.495
  612    HA   GLN  84           HA       GLN  84   2.119   2.506 -24.778
  613    HB2  GLN  84           2HB      GLN  84   5.014   1.548 -24.907
  614    HB3  GLN  84           3HB      GLN  84   3.908   1.471 -26.272
  615    HG2  GLN  84           2HG      GLN  84   4.715   4.082 -24.930
  616    HG3  GLN  84           3HG      GLN  84   5.504   3.382 -26.328
  617   HE21  GLN  84          2HE2      GLN  84   2.446   4.849 -25.198
  618   HE22  GLN  84          1HE2      GLN  84   1.842   5.224 -26.803
  619    H    ASP  85           H        ASP  85   2.190   0.639 -22.187
  620    HA   ASP  85           HA       ASP  85   1.247  -1.747 -23.595
  621    HB2  ASP  85           2HB      ASP  85   3.724  -2.105 -23.429
  622    HB3  ASP  85           3HB      ASP  85   3.606  -1.950 -21.677
  623    H    LYS  86           H        LYS  86  -0.081  -3.052 -22.259
  624    HA   LYS  86           HA       LYS  86  -1.431  -1.586 -20.215
  625    HB2  LYS  86           2HB      LYS  86  -2.895  -3.519 -20.057
  626    HB3  LYS  86           3HB      LYS  86  -2.601  -3.086 -21.738
  627    HG2  LYS  86           2HG      LYS  86  -1.014  -4.970 -21.979
  628    HG3  LYS  86           3HG      LYS  86  -1.150  -5.336 -20.260
  629    HD2  LYS  86           2HD      LYS  86  -2.496  -6.918 -21.497
  630    HD3  LYS  86           3HD      LYS  86  -3.523  -5.890 -20.511
  631    HE2  LYS  86           2HE      LYS  86  -4.624  -6.174 -22.603
  632    HE3  LYS  86           3HE      LYS  86  -4.058  -4.507 -22.543
  633    HZ1  LYS  86           3HZ      LYS  86  -2.203  -5.175 -23.987
  634    HZ2  LYS  86           1HZ      LYS  86  -2.733  -6.723 -24.010
  635    HZ3  LYS  86           2HZ      LYS  86  -3.626  -5.544 -24.684
  636    H    LYS  87           H        LYS  87   1.404  -3.542 -19.877
  637    HA   LYS  87           HA       LYS  87   0.995  -4.770 -17.397
  638    HB2  LYS  87           2HB      LYS  87   2.980  -4.917 -18.938
  639    HB3  LYS  87           3HB      LYS  87   3.566  -3.379 -18.281
  640    HG2  LYS  87           2HG      LYS  87   3.766  -4.393 -16.055
  641    HG3  LYS  87           3HG      LYS  87   3.025  -5.891 -16.643
  642    HD2  LYS  87           2HD      LYS  87   5.688  -4.743 -17.588
  643    HD3  LYS  87           3HD      LYS  87   5.472  -6.095 -16.476
  644    HE2  LYS  87           2HE      LYS  87   4.143  -7.254 -18.351
  645    HE3  LYS  87           3HE      LYS  87   4.752  -5.992 -19.431
  646    HZ1  LYS  87           3HZ      LYS  87   7.023  -6.730 -18.784
  647    HZ2  LYS  87           1HZ      LYS  87   6.347  -7.953 -17.897
  648    HZ3  LYS  87           2HZ      LYS  87   6.165  -7.910 -19.520
  649    H    ILE  88           H        ILE  88   0.922  -4.078 -15.276
  650    HA   ILE  88           HA       ILE  88   0.155  -1.315 -14.831
  651    HB   ILE  88           HB       ILE  88   0.702  -3.559 -12.871
  652   HG12  ILE  88          2HG1      ILE  88  -1.944  -2.743 -14.152
  653   HG13  ILE  88          3HG1      ILE  88  -1.044  -4.209 -14.530
  654   HG21  ILE  88          1HG2      ILE  88  -1.016  -1.060 -12.502
  655   HG22  ILE  88          2HG2      ILE  88  -0.696  -2.310 -11.281
  656   HG23  ILE  88          3HG2      ILE  88   0.603  -1.269 -11.811
  657   HD11  ILE  88          3HD1      ILE  88  -1.351  -5.004 -12.191
  658   HD12  ILE  88          1HD1      ILE  88  -2.415  -3.604 -11.895
  659   HD13  ILE  88          2HD1      ILE  88  -2.854  -4.807 -13.109
  660    H    HIS  89           H        HIS  89   1.342   0.196 -13.456
  661    HA   HIS  89           HA       HIS  89   4.207  -0.410 -13.101
  662    HD1  HIS  89           HD1      HIS  89   6.232  -0.349 -14.979
  663    HD2  HIS  89           HD2      HIS  89   5.504   3.586 -13.657
  664    HE1  HIS  89           HE1      HIS  89   8.506   0.763 -14.751
  665    HB2  HIS  89           2HB      HIS  89   3.681   0.772 -15.354
  666    HB3  HIS  89           3HB      HIS  89   3.348   2.200 -14.366
  667    H    VAL  90           H        VAL  90   5.200   0.873 -11.500
  668    HA   VAL  90           HA       VAL  90   3.459   2.554  -9.775
  669    HB   VAL  90           HB       VAL  90   5.400   0.363  -8.902
  670   HG11  VAL  90          1HG1      VAL  90   3.557   2.100  -7.203
  671   HG12  VAL  90          2HG1      VAL  90   4.613   0.792  -6.617
  672   HG13  VAL  90          3HG1      VAL  90   5.320   2.254  -7.315
  673   HG21  VAL  90          3HG2      VAL  90   2.356   0.394  -8.779
  674   HG22  VAL  90          1HG2      VAL  90   3.373  -0.705  -9.721
  675   HG23  VAL  90          2HG2      VAL  90   3.395  -0.790  -7.958
  676    H    TYR  91           H        TYR  91   4.539   4.466  -9.238
  677    HA   TYR  91           HA       TYR  91   7.428   4.681  -9.284
  678    HD1  TYR  91           HD1      TYR  91   4.172   6.450 -10.358
  679    HD2  TYR  91           HD2      TYR  91   6.768   5.960 -13.775
  680    HE1  TYR  91           HE1      TYR  91   2.421   7.351 -11.810
  681    HE2  TYR  91           HE2      TYR  91   5.017   6.915 -15.237
  682    HH   TYR  91           HH       TYR  91   1.820   7.980 -13.978
  683    HB2  TYR  91           2HB      TYR  91   7.588   6.254 -11.140
  684    HB3  TYR  91           3HB      TYR  91   7.108   4.677 -11.655
  685    H    GLY  92           H        GLY  92   7.567   7.537  -9.573
  686    HA2  GLY  92           2HA      GLY  92   6.980   9.512  -8.612
  687    HA3  GLY  92           1HA      GLY  92   5.433   8.800  -8.138
  688    H    TYR  93           H        TYR  93   5.962  10.315  -6.292
  689    HA   TYR  93           HA       TYR  93   7.052   8.867  -4.016
  690    HD1  TYR  93           HD2      TYR  93   8.015  13.112  -4.023
  691    HD2  TYR  93           HD1      TYR  93   9.341  10.417  -7.122
  692    HE1  TYR  93           HE2      TYR  93   8.338  15.032  -5.548
  693    HE2  TYR  93           HE1      TYR  93   9.658  12.325  -8.658
  694    HH   TYR  93           HH       TYR  93   9.512  14.637  -8.927
  695    HB2  TYR  93           2HB      TYR  93   8.687  10.739  -3.520
  696    HB3  TYR  93           3HB      TYR  93   9.141   9.668  -4.825
  697    H    SER  94           H        SER  94   6.463   9.866  -2.033
  698    HA   SER  94           HA       SER  94   4.374  11.961  -2.134
  699    HG   SER  94           HG       SER  94   3.921  12.411   0.475
  700    HB2  SER  94           2HB      SER  94   3.933  10.267  -0.519
  701    HB3  SER  94           3HB      SER  94   5.616  10.177  -0.020
  702    H    MET  95           H        MET  95   4.830  13.930  -0.624
  703    HA   MET  95           HA       MET  95   7.740  14.660  -0.773
  704    HB2  MET  95           2HB      MET  95   7.110  16.989  -0.822
  705    HB3  MET  95           3HB      MET  95   6.521  16.111  -2.237
  706    HG2  MET  95           2HG      MET  95   4.266  16.053  -1.333
  707    HG3  MET  95           3HG      MET  95   4.810  16.709   0.203
  708    HE1  MET  95           3HE      MET  95   5.771  17.902  -3.535
  709    HE2  MET  95           1HE      MET  95   4.052  17.445  -3.581
  710    HE3  MET  95           2HE      MET  95   4.528  19.147  -3.758
  711    H    ALA  96           H        ALA  96   4.798  14.420   1.287
  712    HA   ALA  96           HA       ALA  96   6.246  15.482   3.599
  713    HB1  ALA  96           3HB      ALA  96   3.821  15.615   3.533
  714    HB2  ALA  96           1HB      ALA  96   3.696  13.849   3.377
  715    HB3  ALA  96           2HB      ALA  96   4.324  14.569   4.875
  716    H    TYR  97           H        TYR  97   5.921  12.320   2.037
  717    HA   TYR  97           HA       TYR  97   7.486  11.062   4.246
  718    HD1  TYR  97           HD1      TYR  97   5.725  10.441   6.258
  719    HD2  TYR  97           HD2      TYR  97   3.336  11.134   2.729
  720    HE1  TYR  97           HE1      TYR  97   3.927  11.397   7.664
  721    HE2  TYR  97           HE2      TYR  97   1.517  11.999   4.120
  722    HH   TYR  97           HH       TYR  97   1.785  12.341   7.694
  723    HB2  TYR  97           2HB      TYR  97   5.314   9.766   2.581
  724    HB3  TYR  97           3HB      TYR  97   6.082   9.136   4.025
  725    H    GLY  98           H        GLY  98   7.641  11.756   0.899
  726    HA2  GLY  98           2HA      GLY  98   9.382  11.266  -0.525
  727    HA3  GLY  98           1HA      GLY  98  10.071  10.212   0.704
  728    HA   PRO  99           HA       PRO  99   8.354   7.547  -2.770
  729    HB2  PRO  99           2HB      PRO  99  10.713   6.306  -3.456
  730    HB3  PRO  99           3HB      PRO  99  10.130   7.804  -4.220
  731    HG2  PRO  99           2HG      PRO  99  12.164   7.489  -2.008
  732    HG3  PRO  99           3HG      PRO  99  12.235   8.565  -3.438
  733    HD2  PRO  99           2HD      PRO  99  11.479   9.433  -0.948
  734    HD3  PRO  99           3HD      PRO  99  10.790  10.128  -2.444
  735    H    ALA 100           H        ALA 100   7.754   5.451  -2.339
  736    HA   ALA 100           HA       ALA 100   8.561   4.142   0.158
  737    HB1  ALA 100           3HB      ALA 100   6.254   3.938  -0.772
  738    HB2  ALA 100           1HB      ALA 100   6.932   3.205  -2.236
  739    HB3  ALA 100           2HB      ALA 100   7.046   2.357  -0.679
  740    H    GLN 101           H        GLN 101   9.193   1.674  -0.161
  741    HA   GLN 101           HA       GLN 101  11.684   1.461  -1.567
  742    HB2  GLN 101           2HB      GLN 101   9.798  -0.722  -0.566
  743    HB3  GLN 101           3HB      GLN 101  11.452  -0.984  -1.110
  744    HG2  GLN 101           2HG      GLN 101  10.605   0.625   1.335
  745    HG3  GLN 101           3HG      GLN 101  11.335  -0.978   1.313
  746   HE21  GLN 101          2HE2      GLN 101  13.610  -1.171   0.435
  747   HE22  GLN 101          1HE2      GLN 101  14.678   0.197   0.606
  748    H    HIS 102           H        HIS 102   8.368   0.963  -2.565
  749    HA   HIS 102           HA       HIS 102   7.296   0.235  -4.303
  750    HD1  HIS 102           HD1      HIS 102   9.628   3.892  -5.530
  751    HD2  HIS 102           HD2      HIS 102   5.950   1.942  -4.854
  752    HE1  HIS 102           HE1      HIS 102   7.972   5.671  -4.827
  753    HB2  HIS 102           2HB      HIS 102   9.700   1.229  -5.799
  754    HB3  HIS 102           3HB      HIS 102   8.188   0.720  -6.561
  755    H    ALA 103           H        ALA 103  10.343  -1.443  -3.978
  756    HA   ALA 103           HA       ALA 103   9.738  -3.672  -5.660
  757    HB1  ALA 103           3HB      ALA 103  11.986  -3.262  -4.706
  758    HB2  ALA 103           1HB      ALA 103  11.356  -3.509  -3.060
  759    HB3  ALA 103           2HB      ALA 103  11.387  -4.858  -4.214
  760    H    ILE 104           H        ILE 104   8.989  -2.955  -2.224
  761    HA   ILE 104           HA       ILE 104   7.674  -5.402  -1.625
  762    HB   ILE 104           HB       ILE 104   7.174  -2.618  -0.473
  763   HG12  ILE 104          2HG1      ILE 104   9.124  -4.767   0.481
  764   HG13  ILE 104          3HG1      ILE 104   9.577  -3.269  -0.333
  765   HG21  ILE 104          1HG2      ILE 104   6.651  -5.376   0.734
  766   HG22  ILE 104          2HG2      ILE 104   6.317  -3.812   1.511
  767   HG23  ILE 104          3HG2      ILE 104   5.412  -4.281   0.084
  768   HD11  ILE 104          3HD1      ILE 104   8.586  -1.952   1.534
  769   HD12  ILE 104          1HD1      ILE 104   8.336  -3.479   2.424
  770   HD13  ILE 104          2HD1      ILE 104   9.969  -2.966   1.992
  771    H    SER 105           H        SER 105   6.430  -2.233  -2.902
  772    HA   SER 105           HA       SER 105   3.744  -2.844  -2.855
  773    HG   SER 105           HG       SER 105   5.186   0.481  -3.260
  774    HB2  SER 105           2HB      SER 105   4.916  -1.094  -5.014
  775    HB3  SER 105           3HB      SER 105   3.517  -0.815  -3.961
  776    H    THR 106           H        THR 106   6.087  -3.172  -5.645
  777    HA   THR 106           HA       THR 106   4.050  -4.082  -7.416
  778    HB   THR 106           HB       THR 106   6.013  -4.820  -8.812
  779    HG1  THR 106           1HG      THR 106   8.055  -4.423  -8.055
  780   HG21  THR 106          3HG2      THR 106   5.037  -2.474  -8.819
  781   HG22  THR 106          1HG2      THR 106   6.322  -1.989  -7.709
  782   HG23  THR 106          2HG2      THR 106   6.717  -2.585  -9.337
  783    H    GLU 107           H        GLU 107   6.525  -5.912  -5.488
  784    HA   GLU 107           HA       GLU 107   5.724  -8.441  -6.426
  785    HB2  GLU 107           2HB      GLU 107   6.999  -7.591  -3.803
  786    HB3  GLU 107           3HB      GLU 107   6.751  -9.278  -4.245
  787    HG2  GLU 107           2HG      GLU 107   8.363  -7.306  -5.927
  788    HG3  GLU 107           3HG      GLU 107   9.052  -8.419  -4.753
  789    H    LYS 108           H        LYS 108   4.381  -6.556  -3.648
  790    HA   LYS 108           HA       LYS 108   2.602  -8.663  -2.828
  791    HB2  LYS 108           2HB      LYS 108   2.562  -5.644  -2.447
  792    HB3  LYS 108           3HB      LYS 108   1.287  -6.707  -1.832
  793    HG2  LYS 108           2HG      LYS 108   2.893  -8.008  -0.533
  794    HG3  LYS 108           3HG      LYS 108   4.222  -6.994  -1.101
  795    HD2  LYS 108           2HD      LYS 108   3.251  -5.020  -0.050
  796    HD3  LYS 108           3HD      LYS 108   1.804  -5.912   0.439
  797    HE2  LYS 108           2HE      LYS 108   4.573  -6.833   1.285
  798    HE3  LYS 108           3HE      LYS 108   3.734  -5.546   2.166
  799    HZ1  LYS 108           3HZ      LYS 108   2.120  -6.960   2.897
  800    HZ2  LYS 108           1HZ      LYS 108   2.255  -8.021   1.696
  801    HZ3  LYS 108           2HZ      LYS 108   3.396  -7.995   2.897
  802    H    ILE 109           H        ILE 109   2.099  -5.885  -5.127
  803    HA   ILE 109           HA       ILE 109  -0.645  -6.568  -5.593
  804    HB   ILE 109           HB       ILE 109   1.341  -5.090  -7.357
  805   HG12  ILE 109          2HG1      ILE 109  -0.887  -3.852  -5.684
  806   HG13  ILE 109          3HG1      ILE 109   0.699  -4.116  -4.998
  807   HG21  ILE 109          1HG2      ILE 109  -1.721  -5.115  -7.518
  808   HG22  ILE 109          2HG2      ILE 109  -0.628  -4.183  -8.556
  809   HG23  ILE 109          3HG2      ILE 109  -0.650  -5.937  -8.662
  810   HD11  ILE 109          3HD1      ILE 109   1.719  -2.725  -6.808
  811   HD12  ILE 109          1HD1      ILE 109   0.086  -2.375  -7.421
  812   HD13  ILE 109          2HD1      ILE 109   0.558  -1.842  -5.802
  813    H    LYS 110           H        LYS 110   2.404  -7.569  -7.252
  814    HA   LYS 110           HA       LYS 110   1.184  -9.144  -9.280
  815    HB2  LYS 110           2HB      LYS 110   3.881  -9.402  -7.881
  816    HB3  LYS 110           3HB      LYS 110   3.435 -10.324  -9.321
  817    HG2  LYS 110           2HG      LYS 110   3.356  -8.393 -10.708
  818    HG3  LYS 110           3HG      LYS 110   3.234  -7.310  -9.334
  819    HD2  LYS 110           2HD      LYS 110   5.412  -6.955 -10.044
  820    HD3  LYS 110           3HD      LYS 110   5.596  -8.036  -8.669
  821    HE2  LYS 110           2HE      LYS 110   5.654  -9.964 -10.352
  822    HE3  LYS 110           3HE      LYS 110   5.697  -8.732 -11.630
  823    HZ1  LYS 110           3HZ      LYS 110   7.772  -7.920 -10.689
  824    HZ2  LYS 110           1HZ      LYS 110   7.689  -8.976  -9.432
  825    HZ3  LYS 110           2HZ      LYS 110   7.927  -9.523 -10.962
  826    H    ALA 111           H        ALA 111   2.253 -10.063  -5.952
  827    HA   ALA 111           HA       ALA 111   1.559 -12.800  -6.181
  828    HB1  ALA 111           3HB      ALA 111   2.995 -11.900  -4.388
  829    HB2  ALA 111           1HB      ALA 111   1.612 -11.012  -3.706
  830    HB3  ALA 111           2HB      ALA 111   1.616 -12.787  -3.713
  831    H    LYS 112           H        LYS 112  -0.407  -9.967  -5.094
  832    HA   LYS 112           HA       LYS 112  -2.676 -11.641  -4.432
  833    HB2  LYS 112           2HB      LYS 112  -2.330  -8.638  -4.723
  834    HB3  LYS 112           3HB      LYS 112  -3.865  -9.376  -4.290
  835    HG2  LYS 112           2HG      LYS 112  -1.263  -9.635  -2.732
  836    HG3  LYS 112           3HG      LYS 112  -2.633  -8.611  -2.307
  837    HD2  LYS 112           2HD      LYS 112  -2.532 -11.642  -2.249
  838    HD3  LYS 112           3HD      LYS 112  -2.596 -10.528  -0.886
  839    HE2  LYS 112           2HE      LYS 112  -4.851  -9.758  -1.592
  840    HE3  LYS 112           3HE      LYS 112  -4.804 -10.865  -2.969
  841    HZ1  LYS 112           3HZ      LYS 112  -4.710 -12.716  -1.405
  842    HZ2  LYS 112           1HZ      LYS 112  -4.750 -11.700  -0.125
  843    HZ3  LYS 112           2HZ      LYS 112  -6.032 -11.809  -1.123
  844    H    TYR 113           H        TYR 113  -1.652 -10.047  -7.406
  845    HA   TYR 113           HA       TYR 113  -4.182 -10.911  -8.726
  846    HD1  TYR 113           HD1      TYR 113  -6.333  -9.141  -8.708
  847    HD2  TYR 113           HD2      TYR 113  -2.890  -7.216  -6.965
  848    HE1  TYR 113           HE1      TYR 113  -7.780  -8.150  -6.964
  849    HE2  TYR 113           HE2      TYR 113  -4.333  -6.217  -5.213
  850    HH   TYR 113           HH       TYR 113  -7.872  -6.792  -5.065
  851    HB2  TYR 113           2HB      TYR 113  -2.708  -8.281  -9.111
  852    HB3  TYR 113           3HB      TYR 113  -4.142  -8.810  -9.976
  853    HA   PRO 114           HA       PRO 114  -0.243 -12.390 -10.781
  854    HB2  PRO 114           2HB      PRO 114  -0.757 -15.079 -10.954
  855    HB3  PRO 114           3HB      PRO 114  -0.116 -14.292  -9.481
  856    HG2  PRO 114           2HG      PRO 114  -3.006 -14.972 -10.116
  857    HG3  PRO 114           3HG      PRO 114  -2.085 -15.347  -8.622
  858    HD2  PRO 114           2HD      PRO 114  -3.710 -13.174  -8.780
  859    HD3  PRO 114           3HD      PRO 114  -2.149 -13.103  -7.909
  860    H    ASP 115           H        ASP 115  -3.591 -12.422 -11.627
  861    HA   ASP 115           HA       ASP 115  -3.389 -13.364 -14.339
  862    HB2  ASP 115           2HB      ASP 115  -5.508 -13.160 -13.042
  863    HB3  ASP 115           3HB      ASP 115  -5.344 -11.403 -13.081
  864    H    TYR 116           H        TYR 116  -2.050 -10.620 -12.816
  865    HA   TYR 116           HA       TYR 116  -1.639  -9.199 -15.398
  866    HD1  TYR 116           HD1      TYR 116  -3.294  -6.739 -15.931
  867    HD2  TYR 116           HD2      TYR 116  -4.394  -8.789 -12.299
  868    HE1  TYR 116           HE1      TYR 116  -5.684  -6.419 -16.484
  869    HE2  TYR 116           HE2      TYR 116  -6.792  -8.471 -12.836
  870    HH   TYR 116           HH       TYR 116  -7.889  -6.777 -15.817
  871    HB2  TYR 116           2HB      TYR 116  -2.100  -7.975 -12.645
  872    HB3  TYR 116           3HB      TYR 116  -1.672  -7.089 -14.096
  873    H    GLU 117           H        GLU 117   0.299  -7.576 -14.951
  874    HA   GLU 117           HA       GLU 117   2.298  -8.630 -13.090
  875    HB2  GLU 117           2HB      GLU 117   2.809  -9.803 -15.159
  876    HB3  GLU 117           3HB      GLU 117   2.837  -8.286 -16.072
  877    HG2  GLU 117           2HG      GLU 117   4.798  -7.533 -14.931
  878    HG3  GLU 117           3HG      GLU 117   4.664  -8.784 -13.691
  879    H    VAL 118           H        VAL 118   3.943  -6.984 -12.686
  880    HA   VAL 118           HA       VAL 118   2.976  -4.231 -13.081
  881    HB   VAL 118           HB       VAL 118   3.744  -5.369 -10.374
  882   HG11  VAL 118          1HG1      VAL 118   2.147  -2.882 -11.117
  883   HG12  VAL 118          2HG1      VAL 118   2.633  -3.370  -9.484
  884   HG13  VAL 118          3HG1      VAL 118   3.855  -2.896 -10.675
  885   HG21  VAL 118          3HG2      VAL 118   0.863  -5.059 -11.327
  886   HG22  VAL 118          1HG2      VAL 118   1.672  -6.594 -10.994
  887   HG23  VAL 118          2HG2      VAL 118   1.411  -5.451  -9.691
  888    H    THR 119           H        THR 119   4.733  -2.727 -12.946
  889    HA   THR 119           HA       THR 119   7.445  -3.767 -12.328
  890    HB   THR 119           HB       THR 119   8.219  -2.378 -14.348
  891    HG1  THR 119           1HG      THR 119   5.463  -2.690 -15.011
  892   HG21  THR 119          3HG2      THR 119   8.305  -4.816 -14.325
  893   HG22  THR 119          1HG2      THR 119   6.619  -4.915 -14.864
  894   HG23  THR 119          2HG2      THR 119   7.861  -4.217 -15.933
  895    H    TRP 120           H        TRP 120   9.016  -1.762 -12.175
  896    HA   TRP 120           HA       TRP 120   7.633   0.713 -11.599
  897    HD1  TRP 120           HD1      TRP 120   8.997  -2.756  -9.309
  898    HE1  TRP 120           HE1      TRP 120  11.126  -3.287  -8.017
  899    HE3  TRP 120           HE3      TRP 120  10.692   2.034  -8.588
  900    HZ2  TRP 120           HZ2      TRP 120  13.301  -1.818  -6.780
  901    HZ3  TRP 120           HZ3      TRP 120  12.814   2.415  -7.370
  902    HH2  TRP 120           HH2      TRP 120  14.117   0.515  -6.455
  903    HB2  TRP 120           2HB      TRP 120   8.496   1.059  -9.380
  904    HB3  TRP 120           3HB      TRP 120   7.523  -0.387  -9.392
  905    H    ALA 121           H        ALA 121   9.032   2.511 -11.421
  906    HA   ALA 121           HA       ALA 121  11.896   2.320 -11.723
  907    HB1  ALA 121           3HB      ALA 121  11.292   2.011 -14.105
  908    HB2  ALA 121           1HB      ALA 121  10.212   3.420 -14.038
  909    HB3  ALA 121           2HB      ALA 121  11.965   3.632 -13.851
  910    H    ASN 122           H        ASN 122  12.213   3.753 -10.029
  911    HA   ASN 122           HA       ASN 122  10.122   5.470  -9.229
  912    HB2  ASN 122           2HB      ASN 122  12.262   4.454  -7.926
  913    HB3  ASN 122           3HB      ASN 122  12.851   6.096  -8.167
  914   HD21  ASN 122          2HD2      ASN 122  10.590   7.676  -7.857
  915   HD22  ASN 122          1HD2      ASN 122   9.693   7.314  -6.396
  916    H    ASP 123           H        ASP 123  12.505   6.035 -11.626
  917    HA   ASP 123           HA       ASP 123  12.945   8.838 -11.415
  918    HB2  ASP 123           2HB      ASP 123  14.267   7.356 -12.860
  919    HB3  ASP 123           3HB      ASP 123  12.831   6.995 -13.828
  920    H    GLY 124           H        GLY 124  10.217   6.968 -12.657
  921    HA2  GLY 124           2HA      GLY 124   8.966   9.240 -14.039
  922    HA3  GLY 124           1HA      GLY 124   8.304   7.620 -13.831
  923    H    TYR 125           H        TYR 125   6.635   9.725 -13.486
  924    HA   TYR 125           HA       TYR 125   5.732   9.385 -10.738
  925    HD1  TYR 125           HD1      TYR 125   8.639  12.027 -12.299
  926    HD2  TYR 125           HD2      TYR 125   4.542  13.328 -11.894
  927    HE1  TYR 125           HE1      TYR 125   9.048  13.809 -13.964
  928    HE2  TYR 125           HE2      TYR 125   4.941  15.115 -13.561
  929    HH   TYR 125           HH       TYR 125   8.134  15.598 -15.149
  930    HB2  TYR 125           2HB      TYR 125   5.568  11.791 -10.250
  931    HB3  TYR 125           3HB      TYR 125   7.235  11.284 -10.404
  Start of MODEL   10
    1    HA   MET   1           HA       MET   1 -13.940 -10.354  23.449
    2    H1   MET   1           H1       MET   1 -13.990  -8.155  21.597
    3    H2   MET   1           H2       MET   1 -13.604  -8.200  23.184
    4    H3   MET   1           H3       MET   1 -15.177  -8.191  22.730
    5    HB2  MET   1           2HB      MET   1 -16.339 -10.207  22.936
    6    HB3  MET   1           3HB      MET   1 -16.001 -10.321  21.206
    7    HG2  MET   1           2HG      MET   1 -14.997 -12.567  21.564
    8    HG3  MET   1           3HG      MET   1 -15.287 -12.418  23.302
    9    HE1  MET   1           3HE      MET   1 -16.156 -14.929  21.557
   10    HE2  MET   1           1HE      MET   1 -16.445 -14.785  23.306
   11    HE3  MET   1           2HE      MET   1 -17.776 -15.240  22.219
   12    H    ALA   2           H        ALA   2 -14.382 -10.204  19.853
   13    HA   ALA   2           HA       ALA   2 -12.018 -11.763  19.334
   14    HB1  ALA   2           3HB      ALA   2 -13.974 -11.690  17.809
   15    HB2  ALA   2           1HB      ALA   2 -13.672  -9.962  17.501
   16    HB3  ALA   2           2HB      ALA   2 -12.492 -11.181  16.982
   17    H    VAL   3           H        VAL   3 -10.198 -10.920  17.956
   18    HA   VAL   3           HA       VAL   3  -9.568  -8.088  18.114
   19    HB   VAL   3           HB       VAL   3  -8.859  -8.886  20.320
   20   HG11  VAL   3          1HG1      VAL   3  -7.009 -10.845  18.903
   21   HG12  VAL   3          2HG1      VAL   3  -7.045 -10.497  20.642
   22   HG13  VAL   3          3HG1      VAL   3  -8.435 -11.271  19.876
   23   HG21  VAL   3          3HG2      VAL   3  -6.413  -8.393  18.611
   24   HG22  VAL   3          1HG2      VAL   3  -7.538  -7.124  19.162
   25   HG23  VAL   3          2HG2      VAL   3  -6.604  -8.060  20.341
   26    H    ALA   4           H        ALA   4  -7.881  -7.557  16.601
   27    HA   ALA   4           HA       ALA   4  -7.844  -9.273  14.277
   28    HB1  ALA   4           3HB      ALA   4  -7.956  -6.794  14.154
   29    HB2  ALA   4           1HB      ALA   4  -6.325  -6.688  14.858
   30    HB3  ALA   4           2HB      ALA   4  -6.566  -7.434  13.269
   31    H    ASP   5           H        ASP   5  -5.600  -9.430  13.104
   32    HA   ASP   5           HA       ASP   5  -3.217  -9.781  14.704
   33    HB2  ASP   5           2HB      ASP   5  -4.203 -12.040  14.970
   34    HB3  ASP   5           3HB      ASP   5  -4.452 -12.154  13.226
   35    H    LEU   6           H        LEU   6  -1.377  -9.679  13.212
   36    HA   LEU   6           HA       LEU   6  -1.778  -7.989  11.028
   37    HG   LEU   6           HG       LEU   6   0.365  -8.277  13.439
   38    HB2  LEU   6           2HB      LEU   6   0.546  -9.882  11.588
   39    HB3  LEU   6           3HB      LEU   6   0.560  -8.574  10.421
   40   HD11  LEU   6          1HD1      LEU   6   2.548  -7.474  11.464
   41   HD12  LEU   6          2HD1      LEU   6   2.582  -7.246  13.217
   42   HD13  LEU   6          3HD1      LEU   6   2.604  -8.879  12.551
   43   HD21  LEU   6          3HD2      LEU   6   0.348  -6.134  11.272
   44   HD22  LEU   6          1HD2      LEU   6  -0.946  -6.473  12.448
   45   HD23  LEU   6          2HD2      LEU   6   0.592  -5.826  13.007
   46    H    ALA   7           H        ALA   7  -1.717 -11.576  11.043
   47    HA   ALA   7           HA       ALA   7  -1.347 -11.843   8.237
   48    HB1  ALA   7           3HB      ALA   7  -0.908 -13.654   9.866
   49    HB2  ALA   7           1HB      ALA   7  -2.651 -13.758  10.216
   50    HB3  ALA   7           2HB      ALA   7  -2.040 -14.172   8.602
   51    H    LEU   8           H        LEU   8  -4.185 -11.027  10.150
   52    HA   LEU   8           HA       LEU   8  -6.124 -12.011   8.186
   53    HG   LEU   8           HG       LEU   8  -5.777 -12.449  11.307
   54    HB2  LEU   8           2HB      LEU   8  -6.469 -10.161  10.584
   55    HB3  LEU   8           3HB      LEU   8  -7.773 -10.862   9.637
   56   HD11  LEU   8          1HD1      LEU   8  -8.722 -11.831  11.792
   57   HD12  LEU   8          2HD1      LEU   8  -7.678 -12.852  12.809
   58   HD13  LEU   8          3HD1      LEU   8  -7.349 -11.122  12.667
   59   HD21  LEU   8          3HD2      LEU   8  -8.236 -13.377   9.760
   60   HD22  LEU   8          1HD2      LEU   8  -6.545 -13.819   9.431
   61   HD23  LEU   8          2HD2      LEU   8  -7.318 -14.366  10.917
   62    H    ILE   9           H        ILE   9  -4.301  -9.057   8.700
   63    HA   ILE   9           HA       ILE   9  -6.166  -7.273   7.449
   64    HB   ILE   9           HB       ILE   9  -3.162  -6.889   7.650
   65   HG12  ILE   9          2HG1      ILE   9  -5.225  -6.212   9.806
   66   HG13  ILE   9          3HG1      ILE   9  -4.072  -7.542   9.905
   67   HG21  ILE   9          1HG2      ILE   9  -5.472  -4.898   7.618
   68   HG22  ILE   9          2HG2      ILE   9  -3.746  -4.487   7.698
   69   HG23  ILE   9          3HG2      ILE   9  -4.391  -5.255   6.256
   70   HD11  ILE   9          3HD1      ILE   9  -2.186  -5.904   9.741
   71   HD12  ILE   9          1HD1      ILE   9  -3.387  -4.600   9.920
   72   HD13  ILE   9          2HD1      ILE   9  -3.182  -5.796  11.206
   73    HA   PRO  10           HA       PRO  10  -5.241  -8.569   3.154
   74    HB2  PRO  10           2HB      PRO  10  -6.122  -5.715   2.681
   75    HB3  PRO  10           3HB      PRO  10  -6.549  -7.188   1.755
   76    HG2  PRO  10           2HG      PRO  10  -8.306  -6.128   3.532
   77    HG3  PRO  10           3HG      PRO  10  -8.051  -7.905   3.491
   78    HD2  PRO  10           2HD      PRO  10  -6.861  -5.880   5.404
   79    HD3  PRO  10           3HD      PRO  10  -7.564  -7.490   5.750
   80    H    ASP  11           H        ASP  11  -3.180  -8.472   2.259
   81    HA   ASP  11           HA       ASP  11  -1.370  -6.329   3.081
   82    HB2  ASP  11           2HB      ASP  11   0.357  -7.544   2.223
   83    HB3  ASP  11           3HB      ASP  11  -0.721  -8.753   2.921
   84    H    VAL  12           H        VAL  12  -3.332  -7.084   0.274
   85    HA   VAL  12           HA       VAL  12  -2.557  -4.435  -0.862
   86    HB   VAL  12           HB       VAL  12  -3.039  -6.975  -2.456
   87   HG11  VAL  12          1HG1      VAL  12  -2.271  -4.175  -3.406
   88   HG12  VAL  12          2HG1      VAL  12  -2.425  -5.627  -4.424
   89   HG13  VAL  12          3HG1      VAL  12  -3.851  -4.961  -3.643
   90   HG21  VAL  12          3HG2      VAL  12  -0.461  -5.403  -2.021
   91   HG22  VAL  12          1HG2      VAL  12  -0.793  -7.068  -1.501
   92   HG23  VAL  12          2HG2      VAL  12  -0.679  -6.695  -3.222
   93    H    ASP  13           H        ASP  13  -4.295  -3.179  -1.239
   94    HA   ASP  13           HA       ASP  13  -6.756  -4.150  -2.277
   95    HB2  ASP  13           2HB      ASP  13  -7.334  -4.646   0.075
   96    HB3  ASP  13           3HB      ASP  13  -6.829  -3.033   0.565
   97    H    ILE  14           H        ILE  14  -7.039  -2.524  -3.787
   98    HA   ILE  14           HA       ILE  14  -6.445   0.256  -3.084
   99    HB   ILE  14           HB       ILE  14  -5.056   0.613  -5.006
  100   HG12  ILE  14          2HG1      ILE  14  -5.936  -1.187  -6.500
  101   HG13  ILE  14          3HG1      ILE  14  -4.208  -0.911  -6.534
  102   HG21  ILE  14          1HG2      ILE  14  -3.832  -1.624  -3.351
  103   HG22  ILE  14          2HG2      ILE  14  -2.968  -0.421  -4.328
  104   HG23  ILE  14          3HG2      ILE  14  -3.911   0.086  -2.920
  105   HD11  ILE  14          3HD1      ILE  14  -3.803  -2.962  -5.243
  106   HD12  ILE  14          1HD1      ILE  14  -5.559  -3.258  -5.136
  107   HD13  ILE  14          2HD1      ILE  14  -4.742  -3.285  -6.702
  108    H    ASP  15           H        ASP  15  -7.242   1.726  -4.753
  109    HA   ASP  15           HA       ASP  15  -9.290   0.612  -6.621
  110    HB2  ASP  15           2HB      ASP  15 -10.331   1.515  -4.536
  111    HB3  ASP  15           3HB      ASP  15  -9.588   3.082  -4.884
  112    H    SER  16           H        SER  16  -6.375   1.859  -6.623
  113    HA   SER  16           HA       SER  16  -6.539   4.093  -8.408
  114    HG   SER  16           HG       SER  16  -3.734   4.042  -6.359
  115    HB2  SER  16           2HB      SER  16  -4.201   2.226  -7.878
  116    HB3  SER  16           3HB      SER  16  -4.148   3.877  -8.533
  117    H    ASP  17           H        ASP  17  -8.255   2.846  -9.702
  118    HA   ASP  17           HA       ASP  17  -7.434   0.898 -11.677
  119    HB2  ASP  17           2HB      ASP  17  -9.754   1.202 -10.860
  120    HB3  ASP  17           3HB      ASP  17  -9.797   2.813 -11.579
  121    H    GLY  18           H        GLY  18  -6.598   4.108 -11.363
  122    HA2  GLY  18           2HA      GLY  18  -5.531   4.308 -14.054
  123    HA3  GLY  18           1HA      GLY  18  -6.659   5.603 -13.586
  124    H    VAL  19           H        VAL  19  -4.435   6.763 -13.887
  125    HA   VAL  19           HA       VAL  19  -2.311   6.432 -12.048
  126    HB   VAL  19           HB       VAL  19  -3.136   8.898 -13.622
  127   HG11  VAL  19          1HG1      VAL  19  -0.454   8.086 -12.418
  128   HG12  VAL  19          2HG1      VAL  19  -0.717   9.476 -13.497
  129   HG13  VAL  19          3HG1      VAL  19  -1.468   9.449 -11.900
  130   HG21  VAL  19          3HG2      VAL  19  -1.297   6.590 -14.383
  131   HG22  VAL  19          1HG2      VAL  19  -2.840   7.002 -15.157
  132   HG23  VAL  19          2HG2      VAL  19  -1.471   8.099 -15.299
  133    H    PHE  20           H        PHE  20  -2.963   6.302  -9.915
  134    HA   PHE  20           HA       PHE  20  -3.715   8.828  -8.590
  135    HD1  PHE  20           HD1      PHE  20  -6.135   9.860  -8.552
  136    HD2  PHE  20           HD2      PHE  20  -6.729   5.814  -9.916
  137    HE1  PHE  20           HE1      PHE  20  -7.937  10.630 -10.072
  138    HE2  PHE  20           HE2      PHE  20  -8.521   6.589 -11.445
  139    HZ   PHE  20           HZ       PHE  20  -9.129   9.001 -11.526
  140    HB2  PHE  20           2HB      PHE  20  -5.224   6.217  -8.133
  141    HB3  PHE  20           3HB      PHE  20  -5.415   7.696  -7.206
  142    H    LYS  21           H        LYS  21  -3.360   8.715  -6.274
  143    HA   LYS  21           HA       LYS  21  -0.741   7.655  -5.833
  144    HB2  LYS  21           2HB      LYS  21  -2.756   9.188  -4.133
  145    HB3  LYS  21           3HB      LYS  21  -1.204   8.687  -3.490
  146    HG2  LYS  21           2HG      LYS  21  -0.019   9.938  -5.265
  147    HG3  LYS  21           3HG      LYS  21  -1.568  10.475  -5.933
  148    HD2  LYS  21           2HD      LYS  21  -2.095  11.711  -3.911
  149    HD3  LYS  21           3HD      LYS  21  -0.665  11.075  -3.077
  150    HE2  LYS  21           2HE      LYS  21   0.823  12.177  -4.693
  151    HE3  LYS  21           3HE      LYS  21  -0.575  12.749  -5.617
  152    HZ1  LYS  21           3HZ      LYS  21  -1.214  14.070  -3.687
  153    HZ2  LYS  21           1HZ      LYS  21   0.156  13.617  -2.842
  154    HZ3  LYS  21           2HZ      LYS  21   0.276  14.482  -4.220
  155    H    TYR  22           H        TYR  22  -0.010   6.401  -4.083
  156    HA   TYR  22           HA       TYR  22  -1.885   4.863  -2.487
  157    HD1  TYR  22           HD2      TYR  22   1.477   4.247  -5.169
  158    HD2  TYR  22           HD1      TYR  22   0.170   1.655  -1.989
  159    HE1  TYR  22           HE2      TYR  22   3.825   3.604  -4.730
  160    HE2  TYR  22           HE1      TYR  22   2.499   1.007  -1.534
  161    HH   TYR  22           HH       TYR  22   4.709   1.236  -2.166
  162    HB2  TYR  22           2HB      TYR  22  -1.411   2.791  -3.311
  163    HB3  TYR  22           3HB      TYR  22  -1.001   3.632  -4.782
  164    H    VAL  23           H        VAL  23  -0.579   3.772  -0.678
  165    HA   VAL  23           HA       VAL  23   2.099   4.930  -0.256
  166    HB   VAL  23           HB       VAL  23   1.605   5.187   2.186
  167   HG11  VAL  23          1HG1      VAL  23   0.052   7.050   0.372
  168   HG12  VAL  23          2HG1      VAL  23   0.616   7.419   2.017
  169   HG13  VAL  23          3HG1      VAL  23   1.788   7.139   0.719
  170   HG21  VAL  23          3HG2      VAL  23  -1.310   5.001   1.318
  171   HG22  VAL  23          1HG2      VAL  23  -0.454   3.880   2.374
  172   HG23  VAL  23          2HG2      VAL  23  -0.738   5.554   2.902
  173    H    LEU  24           H        LEU  24   3.426   3.700   1.034
  174    HA   LEU  24           HA       LEU  24   2.688   0.821   1.236
  175    HG   LEU  24           HG       LEU  24   6.346  -0.025   0.882
  176    HB2  LEU  24           2HB      LEU  24   4.789   1.729  -0.065
  177    HB3  LEU  24           3HB      LEU  24   5.462   2.050   1.510
  178   HD11  LEU  24          1HD1      LEU  24   3.944  -0.988   2.480
  179   HD12  LEU  24          2HD1      LEU  24   5.562  -1.696   2.387
  180   HD13  LEU  24          3HD1      LEU  24   5.338  -0.143   3.201
  181   HD21  LEU  24          3HD2      LEU  24   3.566  -0.764  -0.094
  182   HD22  LEU  24          1HD2      LEU  24   5.022  -0.465  -1.064
  183   HD23  LEU  24          2HD2      LEU  24   4.923  -1.896  -0.030
  184    H    ILE  25           H        ILE  25   2.093   0.320   3.390
  185    HA   ILE  25           HA       ILE  25   3.183   2.073   5.558
  186    HB   ILE  25           HB       ILE  25   0.360   1.080   5.125
  187   HG12  ILE  25          2HG1      ILE  25   1.546   3.818   5.768
  188   HG13  ILE  25          3HG1      ILE  25   1.042   3.279   4.167
  189   HG21  ILE  25          1HG2      ILE  25   1.542   2.149   7.723
  190   HG22  ILE  25          2HG2      ILE  25  -0.185   1.836   7.426
  191   HG23  ILE  25          3HG2      ILE  25   0.939   0.498   7.453
  192   HD11  ILE  25          3HD1      ILE  25  -1.305   3.025   5.063
  193   HD12  ILE  25          1HD1      ILE  25  -0.746   3.809   6.570
  194   HD13  ILE  25          2HD1      ILE  25  -0.678   4.683   5.043
  195    H    ARG  26           H        ARG  26   4.281   1.087   7.021
  196    HA   ARG  26           HA       ARG  26   4.404  -1.864   7.135
  197    HE   ARG  26           HE       ARG  26   7.971   0.209   9.635
  198    HB2  ARG  26           2HB      ARG  26   6.465  -0.406   7.233
  199    HB3  ARG  26           3HB      ARG  26   5.886   0.276   8.750
  200    HG2  ARG  26           2HG      ARG  26   6.120  -1.800   9.907
  201    HG3  ARG  26           3HG      ARG  26   6.174  -2.731   8.411
  202    HD2  ARG  26           2HD      ARG  26   8.366  -2.643   9.467
  203    HD3  ARG  26           3HD      ARG  26   8.372  -1.913   7.856
  204   HH11  ARG  26          1HH2      ARG  26  10.487  -2.251   9.138
  205   HH12  ARG  26          2HH2      ARG  26  11.785  -1.223   9.612
  206   HH21  ARG  26          1HH1      ARG  26   9.714   1.626  10.148
  207   HH22  ARG  26          2HH1      ARG  26  11.331   1.006  10.248
  208    H    VAL  27           H        VAL  27   3.759  -2.927   9.040
  209    HA   VAL  27           HA       VAL  27   1.986  -1.500  10.936
  210    HB   VAL  27           HB       VAL  27   1.444  -4.248   9.732
  211   HG11  VAL  27          1HG1      VAL  27  -0.431  -2.251  11.059
  212   HG12  VAL  27          2HG1      VAL  27  -0.830  -3.896  10.543
  213   HG13  VAL  27          3HG1      VAL  27   0.303  -3.641  11.875
  214   HG21  VAL  27          3HG2      VAL  27   0.308  -1.631   8.674
  215   HG22  VAL  27          1HG2      VAL  27   1.306  -2.803   7.781
  216   HG23  VAL  27          2HG2      VAL  27  -0.319  -3.249   8.292
  217    H    HIS  28           H        HIS  28   2.151  -2.454  13.050
  218    HA   HIS  28           HA       HIS  28   4.162  -4.637  13.433
  219    HD1  HIS  28           HD1      HIS  28   6.874  -3.551  13.244
  220    HD2  HIS  28           HD2      HIS  28   4.467  -0.117  13.635
  221    HE1  HIS  28           HE1      HIS  28   8.056  -1.692  11.967
  222    HB2  HIS  28           2HB      HIS  28   3.776  -2.151  15.144
  223    HB3  HIS  28           3HB      HIS  28   4.974  -3.422  15.375
  224    H    SER  29           H        SER  29   3.621  -6.074  15.166
  225    HA   SER  29           HA       SER  29   0.904  -6.489  15.684
  226    HG   SER  29           HG       SER  29   2.041  -9.041  15.366
  227    HB2  SER  29           2HB      SER  29   3.256  -7.465  17.317
  228    HB3  SER  29           3HB      SER  29   1.629  -8.169  17.282
  229    H    ALA  30           H        ALA  30  -0.232  -4.873  16.593
  230    HA   ALA  30           HA       ALA  30   0.021  -4.643  19.499
  231    HB1  ALA  30           3HB      ALA  30   1.163  -2.637  18.617
  232    HB2  ALA  30           1HB      ALA  30  -0.284  -2.211  17.684
  233    HB3  ALA  30           2HB      ALA  30  -0.330  -2.201  19.458
  234    HA   PRO  31           HA       PRO  31  -4.427  -4.749  17.330
  235    HB2  PRO  31           2HB      PRO  31  -4.253  -7.634  18.234
  236    HB3  PRO  31           3HB      PRO  31  -5.333  -6.907  17.004
  237    HG2  PRO  31           2HG      PRO  31  -3.018  -8.159  16.294
  238    HG3  PRO  31           3HG      PRO  31  -3.554  -6.663  15.465
  239    HD2  PRO  31           2HD      PRO  31  -1.383  -7.027  17.488
  240    HD3  PRO  31           3HD      PRO  31  -1.550  -5.858  16.143
  241    H    ARG  32           H        ARG  32  -6.015  -4.210  18.520
  242    HA   ARG  32           HA       ARG  32  -6.480  -2.864  20.207
  243    HE   ARG  32           HE       ARG  32  -7.565  -1.266  22.163
  244    HB2  ARG  32           2HB      ARG  32  -8.187  -4.662  19.744
  245    HB3  ARG  32           3HB      ARG  32  -7.704  -5.415  21.261
  246    HG2  ARG  32           2HG      ARG  32  -9.735  -4.047  21.467
  247    HG3  ARG  32           3HG      ARG  32  -8.475  -3.427  22.515
  248    HD2  ARG  32           2HD      ARG  32  -9.052  -2.251  19.764
  249    HD3  ARG  32           3HD      ARG  32  -9.920  -1.738  21.214
  250   HH11  ARG  32          1HH1      ARG  32  -8.639  -0.480  18.836
  251   HH12  ARG  32          2HH1      ARG  32  -7.338   0.624  18.563
  252   HH21  ARG  32          1HH2      ARG  32  -5.726   0.051  21.644
  253   HH22  ARG  32          2HH2      ARG  32  -5.795   1.068  20.251
  254    H    SER  33           H        SER  33  -3.943  -3.030  20.764
  255    HA   SER  33           HA       SER  33  -2.425  -2.648  22.340
  256    HG   SER  33           HG       SER  33  -4.264   0.151  23.293
  257    HB2  SER  33           2HB      SER  33  -4.714  -2.047  24.241
  258    HB3  SER  33           3HB      SER  33  -3.084  -1.364  24.235
  259    H    GLY  34           H        GLY  34  -3.542  -5.483  22.211
  260    HA2  GLY  34           2HA      GLY  34  -2.610  -6.418  24.894
  261    HA3  GLY  34           1HA      GLY  34  -4.222  -6.828  24.302
  262    H    ALA  35           H        ALA  35  -2.576  -6.955  21.463
  263    HA   ALA  35           HA       ALA  35  -2.313  -9.757  21.370
  264    HB1  ALA  35           3HB      ALA  35  -2.472  -8.369  19.368
  265    HB2  ALA  35           1HB      ALA  35  -0.888  -7.630  19.718
  266    HB3  ALA  35           2HB      ALA  35  -1.002  -9.355  19.303
  267    HA   PRO  36           HA       PRO  36   1.627 -10.082  23.584
  268    HB2  PRO  36           2HB      PRO  36   2.083 -12.763  23.406
  269    HB3  PRO  36           3HB      PRO  36   0.759 -12.084  24.401
  270    HG2  PRO  36           2HG      PRO  36   0.582 -13.203  21.583
  271    HG3  PRO  36           3HG      PRO  36  -0.457 -13.587  22.993
  272    HD2  PRO  36           2HD      PRO  36  -1.171 -11.737  21.102
  273    HD3  PRO  36           3HD      PRO  36  -1.602 -11.540  22.827
  274    H    ALA  37           H        ALA  37   1.168 -10.937  20.217
  275    HA   ALA  37           HA       ALA  37   3.861 -11.621  19.532
  276    HB1  ALA  37           3HB      ALA  37   1.942 -12.171  18.095
  277    HB2  ALA  37           1HB      ALA  37   1.603 -10.443  17.846
  278    HB3  ALA  37           2HB      ALA  37   3.098 -11.159  17.212
  279    H    ALA  38           H        ALA  38   5.305 -10.308  18.199
  280    HA   ALA  38           HA       ALA  38   5.132  -7.375  18.396
  281    HB1  ALA  38           3HB      ALA  38   6.269  -8.092  20.487
  282    HB2  ALA  38           1HB      ALA  38   7.474  -8.977  19.520
  283    HB3  ALA  38           2HB      ALA  38   7.360  -7.205  19.407
  284    H    GLU  39           H        GLU  39   4.697  -8.999  16.180
  285    HA   GLU  39           HA       GLU  39   7.211  -9.122  14.625
  286    HB2  GLU  39           2HB      GLU  39   4.390 -10.143  14.042
  287    HB3  GLU  39           3HB      GLU  39   5.784 -10.315  12.970
  288    HG2  GLU  39           2HG      GLU  39   6.976 -11.601  14.756
  289    HG3  GLU  39           3HG      GLU  39   5.517 -11.536  15.747
  290    H    SER  40           H        SER  40   6.478  -8.521  12.142
  291    HA   SER  40           HA       SER  40   4.894  -6.065  12.064
  292    HG   SER  40           HG       SER  40   8.458  -5.231  12.626
  293    HB2  SER  40           2HB      SER  40   7.686  -6.163  10.907
  294    HB3  SER  40           3HB      SER  40   6.604  -4.773  10.939
  295    H    LYS  41           H        LYS  41   4.429  -5.444   9.824
  296    HA   LYS  41           HA       LYS  41   4.567  -7.476   7.710
  297    HB2  LYS  41           2HB      LYS  41   2.791  -8.292   9.191
  298    HB3  LYS  41           3HB      LYS  41   2.025  -6.716   9.233
  299    HG2  LYS  41           2HG      LYS  41   2.255  -7.877   6.494
  300    HG3  LYS  41           3HG      LYS  41   1.352  -8.871   7.635
  301    HD2  LYS  41           2HD      LYS  41  -0.114  -6.967   8.219
  302    HD3  LYS  41           3HD      LYS  41   0.790  -5.921   7.125
  303    HE2  LYS  41           2HE      LYS  41  -1.295  -6.609   6.117
  304    HE3  LYS  41           3HE      LYS  41   0.065  -7.242   5.184
  305    HZ1  LYS  41           3HZ      LYS  41  -0.385  -9.414   6.005
  306    HZ2  LYS  41           1HZ      LYS  41  -1.361  -8.874   7.214
  307    HZ3  LYS  41           2HZ      LYS  41  -1.881  -8.798   5.681
  308    H    GLU  42           H        GLU  42   3.348  -6.422   5.701
  309    HA   GLU  42           HA       GLU  42   3.314  -3.453   5.924
  310    HB2  GLU  42           2HB      GLU  42   4.546  -5.058   3.641
  311    HB3  GLU  42           3HB      GLU  42   4.251  -3.329   3.656
  312    HG2  GLU  42           2HG      GLU  42   6.521  -3.495   4.122
  313    HG3  GLU  42           3HG      GLU  42   5.777  -3.132   5.670
  314    H    ILE  43           H        ILE  43   1.885  -2.434   4.459
  315    HA   ILE  43           HA       ILE  43   0.036  -4.156   2.946
  316    HB   ILE  43           HB       ILE  43  -1.878  -2.814   3.680
  317   HG12  ILE  43          2HG1      ILE  43  -0.079  -1.601   5.811
  318   HG13  ILE  43          3HG1      ILE  43  -0.708  -0.759   4.390
  319   HG21  ILE  43          1HG2      ILE  43  -0.506  -4.106   6.060
  320   HG22  ILE  43          2HG2      ILE  43  -2.254  -3.944   5.773
  321   HG23  ILE  43          3HG2      ILE  43  -1.293  -4.986   4.734
  322   HD11  ILE  43          3HD1      ILE  43  -3.032  -1.127   5.191
  323   HD12  ILE  43          1HD1      ILE  43  -2.391  -1.877   6.672
  324   HD13  ILE  43          2HD1      ILE  43  -2.039  -0.185   6.323
  325    H    VAL  44           H        VAL  44  -0.874  -3.187   1.191
  326    HA   VAL  44           HA       VAL  44   0.295  -0.617   0.215
  327    HB   VAL  44           HB       VAL  44  -0.776  -3.041  -1.319
  328   HG11  VAL  44          1HG1      VAL  44   0.908  -0.732  -2.343
  329   HG12  VAL  44          2HG1      VAL  44   0.246  -2.075  -3.287
  330   HG13  VAL  44          3HG1      VAL  44  -0.851  -0.884  -2.579
  331   HG21  VAL  44          3HG2      VAL  44   2.134  -2.339  -0.792
  332   HG22  VAL  44          1HG2      VAL  44   1.265  -3.762  -0.180
  333   HG23  VAL  44          2HG2      VAL  44   1.554  -3.589  -1.909
  334    H    ARG  45           H        ARG  45  -1.269   0.990   0.340
  335    HA   ARG  45           HA       ARG  45  -4.104   0.317  -0.342
  336    HE   ARG  45           HE       ARG  45  -4.481  -1.578   0.689
  337    HB2  ARG  45           2HB      ARG  45  -3.125   2.237   1.829
  338    HB3  ARG  45           3HB      ARG  45  -4.753   2.245   1.188
  339    HG2  ARG  45           2HG      ARG  45  -3.494   0.109   2.928
  340    HG3  ARG  45           3HG      ARG  45  -4.791   1.229   3.308
  341    HD2  ARG  45           2HD      ARG  45  -6.082  -0.586   2.970
  342    HD3  ARG  45           3HD      ARG  45  -6.058   0.033   1.315
  343   HH11  ARG  45          1HH2      ARG  45  -5.683  -2.251   3.999
  344   HH12  ARG  45          2HH2      ARG  45  -4.806  -3.746   4.108
  345   HH21  ARG  45          1HH1      ARG  45  -3.250  -3.400   0.977
  346   HH22  ARG  45          2HH1      ARG  45  -3.495  -4.445   2.375
  347    H    GLY  46           H        GLY  46  -5.091   1.935  -1.666
  348    HA2  GLY  46           2HA      GLY  46  -4.056   4.546  -2.016
  349    HA3  GLY  46           1HA      GLY  46  -3.495   3.513  -3.351
  350    H    TYR  47           H        TYR  47  -5.532   5.772  -3.235
  351    HA   TYR  47           HA       TYR  47  -7.712   4.397  -4.653
  352    HD1  TYR  47           HD1      TYR  47  -6.859   4.980  -0.648
  353    HD2  TYR  47           HD2      TYR  47 -10.090   3.002  -2.674
  354    HE1  TYR  47           HE1      TYR  47  -6.856   3.214   1.099
  355    HE2  TYR  47           HE2      TYR  47 -10.086   1.211  -0.967
  356    HH   TYR  47           HH       TYR  47  -7.938   1.308   1.908
  357    HB2  TYR  47           2HB      TYR  47  -8.312   6.152  -2.241
  358    HB3  TYR  47           3HB      TYR  47  -9.469   5.286  -3.231
  359    H    LYS  48           H        LYS  48  -9.000   5.893  -5.868
  360    HA   LYS  48           HA       LYS  48  -7.674   8.211  -6.784
  361    HB2  LYS  48           2HB      LYS  48  -9.748   8.718  -7.990
  362    HB3  LYS  48           3HB      LYS  48  -9.244   7.040  -8.179
  363    HG2  LYS  48           2HG      LYS  48 -10.951   6.301  -6.572
  364    HG3  LYS  48           3HG      LYS  48 -11.448   7.979  -6.289
  365    HD2  LYS  48           2HD      LYS  48 -12.138   8.230  -8.608
  366    HD3  LYS  48           3HD      LYS  48 -11.554   6.615  -9.024
  367    HE2  LYS  48           2HE      LYS  48 -13.675   7.087  -6.885
  368    HE3  LYS  48           3HE      LYS  48 -14.091   6.949  -8.595
  369    HZ1  LYS  48           3HZ      LYS  48 -13.172   4.742  -8.629
  370    HZ2  LYS  48           1HZ      LYS  48 -12.676   4.820  -7.070
  371    HZ3  LYS  48           2HZ      LYS  48 -14.272   4.834  -7.433
  372    H    TRP  49           H        TRP  49  -9.915   7.910  -4.031
  373    HA   TRP  49           HA       TRP  49 -10.449  10.731  -3.947
  374    HD1  TRP  49           HD1      TRP  49 -12.648   7.084  -2.814
  375    HE1  TRP  49           HE1      TRP  49 -12.099   5.116  -1.294
  376    HE3  TRP  49           HE3      TRP  49  -8.874   9.204  -0.076
  377    HZ2  TRP  49           HZ2      TRP  49 -10.248   4.521   0.865
  378    HZ3  TRP  49           HZ3      TRP  49  -7.664   7.887   1.608
  379    HH2  TRP  49           HH2      TRP  49  -8.311   5.515   2.077
  380    HB2  TRP  49           2HB      TRP  49 -11.221  10.211  -1.583
  381    HB3  TRP  49           3HB      TRP  49 -12.076   9.522  -2.937
  382    H    ALA  50           H        ALA  50  -7.653   8.867  -2.844
  383    HA   ALA  50           HA       ALA  50  -6.842  10.958  -0.977
  384    HB1  ALA  50           3HB      ALA  50  -6.362   8.693  -0.398
  385    HB2  ALA  50           1HB      ALA  50  -5.400   8.457  -1.886
  386    HB3  ALA  50           2HB      ALA  50  -4.869   9.610  -0.628
  387    H    GLU  51           H        GLU  51  -6.992  12.654  -2.689
  388    HA   GLU  51           HA       GLU  51  -5.055  12.833  -4.790
  389    HB2  GLU  51           2HB      GLU  51  -6.616  14.903  -3.190
  390    HB3  GLU  51           3HB      GLU  51  -5.551  15.361  -4.516
  391    HG2  GLU  51           2HG      GLU  51  -7.848  13.387  -4.874
  392    HG3  GLU  51           3HG      GLU  51  -8.028  15.125  -5.055
  393    H    TYR  52           H        TYR  52  -4.587  12.938  -1.382
  394    HA   TYR  52           HA       TYR  52  -1.832  13.919  -1.729
  395    HD1  TYR  52           HD1      TYR  52  -4.854  16.021  -1.544
  396    HD2  TYR  52           HD2      TYR  52  -3.861  14.575   2.383
  397    HE1  TYR  52           HE1      TYR  52  -7.140  16.613  -0.763
  398    HE2  TYR  52           HE2      TYR  52  -6.125  15.173   3.192
  399    HH   TYR  52           HH       TYR  52  -8.612  16.644   1.046
  400    HB2  TYR  52           2HB      TYR  52  -2.157  14.797   0.711
  401    HB3  TYR  52           3HB      TYR  52  -2.473  15.782  -0.698
  402    H    HIS  53           H        HIS  53  -0.312  12.679  -0.567
  403    HA   HIS  53           HA       HIS  53  -1.125   9.955  -0.018
  404    HD2  HIS  53           HD2      HIS  53   0.266   8.293  -1.408
  405    HE1  HIS  53           HE1      HIS  53   2.868  10.435  -4.001
  406    HE2  HIS  53           HE2      HIS  53   1.438   8.342  -3.735
  407    HB2  HIS  53           2HB      HIS  53   1.447  11.493   0.529
  408    HB3  HIS  53           3HB      HIS  53   1.231   9.792   0.905
  409    H    ALA  54           H        ALA  54  -0.545  12.858   1.993
  410    HA   ALA  54           HA       ALA  54  -0.762  11.643   4.518
  411    HB1  ALA  54           3HB      ALA  54  -0.240  14.034   4.204
  412    HB2  ALA  54           1HB      ALA  54  -1.903  14.333   3.649
  413    HB3  ALA  54           2HB      ALA  54  -1.603  13.821   5.320
  414    H    ASP  55           H        ASP  55  -3.385  11.986   2.127
  415    HA   ASP  55           HA       ASP  55  -5.502  11.899   4.076
  416    HB2  ASP  55           2HB      ASP  55  -5.667  12.602   1.556
  417    HB3  ASP  55           3HB      ASP  55  -5.747  10.898   1.220
  418    H    ILE  56           H        ILE  56  -3.965   9.408   1.972
  419    HA   ILE  56           HA       ILE  56  -5.467   7.256   3.171
  420    HB   ILE  56           HB       ILE  56  -3.343   5.940   2.171
  421   HG12  ILE  56          2HG1      ILE  56  -3.299   8.515   0.591
  422   HG13  ILE  56          3HG1      ILE  56  -1.984   7.576   1.287
  423   HG21  ILE  56          1HG2      ILE  56  -5.699   6.819   0.515
  424   HG22  ILE  56          2HG2      ILE  56  -4.741   5.329   0.348
  425   HG23  ILE  56          3HG2      ILE  56  -5.727   5.572   1.777
  426   HD11  ILE  56          3HD1      ILE  56  -2.448   5.802  -0.457
  427   HD12  ILE  56          1HD1      ILE  56  -3.681   6.861  -1.172
  428   HD13  ILE  56          2HD1      ILE  56  -1.988   7.373  -1.142
  429    H    TYR  57           H        TYR  57  -2.203   8.717   3.835
  430    HA   TYR  57           HA       TYR  57  -1.513   6.674   5.666
  431    HD1  TYR  57           HD1      TYR  57   0.457   6.144   6.713
  432    HD2  TYR  57           HD2      TYR  57   0.279  10.343   7.685
  433    HE1  TYR  57           HE1      TYR  57   1.607   5.683   8.834
  434    HE2  TYR  57           HE2      TYR  57   1.477   9.905   9.803
  435    HH   TYR  57           HH       TYR  57   2.440   6.600  10.838
  436    HB2  TYR  57           2HB      TYR  57   0.146   8.275   4.905
  437    HB3  TYR  57           3HB      TYR  57  -0.720   9.599   5.684
  438    H    ASP  58           H        ASP  58  -3.297   9.774   6.308
  439    HA   ASP  58           HA       ASP  58  -3.603   9.274   9.084
  440    HB2  ASP  58           2HB      ASP  58  -3.938  11.485   8.119
  441    HB3  ASP  58           3HB      ASP  58  -5.317  10.904   7.176
  442    H    LYS  59           H        LYS  59  -5.830   8.567   6.326
  443    HA   LYS  59           HA       LYS  59  -7.959   7.509   7.905
  444    HB2  LYS  59           2HB      LYS  59  -8.234   8.283   5.654
  445    HB3  LYS  59           3HB      LYS  59  -7.130   7.065   5.009
  446    HG2  LYS  59           2HG      LYS  59  -8.652   5.339   5.184
  447    HG3  LYS  59           3HG      LYS  59  -9.520   6.072   6.556
  448    HD2  LYS  59           2HD      LYS  59 -10.540   7.731   5.163
  449    HD3  LYS  59           3HD      LYS  59  -9.568   7.252   3.759
  450    HE2  LYS  59           2HE      LYS  59 -10.650   4.988   3.819
  451    HE3  LYS  59           3HE      LYS  59 -11.670   5.533   5.158
  452    HZ1  LYS  59           3HZ      LYS  59 -12.602   7.212   3.669
  453    HZ2  LYS  59           1HZ      LYS  59 -11.651   6.704   2.434
  454    HZ3  LYS  59           2HZ      LYS  59 -12.809   5.724   3.039
  455    H    VAL  60           H        VAL  60  -5.263   5.799   6.205
  456    HA   VAL  60           HA       VAL  60  -6.280   3.229   6.980
  457    HB   VAL  60           HB       VAL  60  -3.580   4.067   5.853
  458   HG11  VAL  60          1HG1      VAL  60  -4.843   1.292   6.065
  459   HG12  VAL  60          2HG1      VAL  60  -3.363   1.696   5.158
  460   HG13  VAL  60          3HG1      VAL  60  -3.391   1.858   6.912
  461   HG21  VAL  60          3HG2      VAL  60  -6.007   2.848   4.442
  462   HG22  VAL  60          1HG2      VAL  60  -5.626   4.567   4.395
  463   HG23  VAL  60          2HG2      VAL  60  -4.488   3.432   3.698
  464    H    SER  61           H        SER  61  -3.456   5.247   8.238
  465    HA   SER  61           HA       SER  61  -2.881   3.336  10.272
  466    HG   SER  61           HG       SER  61  -0.687   5.770   9.017
  467    HB2  SER  61           2HB      SER  61  -2.340   6.323  10.200
  468    HB3  SER  61           3HB      SER  61  -1.608   5.159  11.322
  469    H    GLY  62           H        GLY  62  -5.377   5.890  10.087
  470    HA2  GLY  62           2HA      GLY  62  -6.177   5.846  12.824
  471    HA3  GLY  62           1HA      GLY  62  -7.189   6.230  11.415
  472    H    ASP  63           H        ASP  63  -7.346   3.915   9.959
  473    HA   ASP  63           HA       ASP  63  -9.108   2.271  11.452
  474    HB2  ASP  63           2HB      ASP  63  -9.168   2.450   8.995
  475    HB3  ASP  63           3HB      ASP  63  -7.639   1.570   8.891
  476    H    MET  64           H        MET  64  -5.665   1.784  10.590
  477    HA   MET  64           HA       MET  64  -5.377  -0.797  11.729
  478    HB2  MET  64           2HB      MET  64  -3.343   1.458  11.500
  479    HB3  MET  64           3HB      MET  64  -2.951  -0.198  11.904
  480    HG2  MET  64           2HG      MET  64  -4.313   0.568   9.295
  481    HG3  MET  64           3HG      MET  64  -2.593   0.385   9.473
  482    HE1  MET  64           3HE      MET  64  -6.064  -1.349   9.664
  483    HE2  MET  64           1HE      MET  64  -5.442  -1.077   8.008
  484    HE3  MET  64           2HE      MET  64  -5.676  -2.734   8.615
  485    H    GLN  65           H        GLN  65  -4.878   2.458  13.268
  486    HA   GLN  65           HA       GLN  65  -4.269   1.323  15.812
  487    HB2  GLN  65           2HB      GLN  65  -5.098   4.060  14.815
  488    HB3  GLN  65           3HB      GLN  65  -4.817   3.751  16.532
  489    HG2  GLN  65           2HG      GLN  65  -2.503   3.078  16.105
  490    HG3  GLN  65           3HG      GLN  65  -2.731   3.179  14.359
  491   HE21  GLN  65          2HE2      GLN  65  -3.443   5.341  13.505
  492   HE22  GLN  65          1HE2      GLN  65  -2.739   6.788  14.227
  493    H    LYS  66           H        LYS  66  -7.389   2.143  14.271
  494    HA   LYS  66           HA       LYS  66  -8.931   1.750  16.691
  495    HB2  LYS  66           2HB      LYS  66  -9.613   1.696  13.738
  496    HB3  LYS  66           3HB      LYS  66 -10.799   1.267  14.980
  497    HG2  LYS  66           2HG      LYS  66 -10.487   3.427  16.097
  498    HG3  LYS  66           3HG      LYS  66  -9.279   3.917  14.915
  499    HD2  LYS  66           2HD      LYS  66 -12.192   3.292  14.267
  500    HD3  LYS  66           3HD      LYS  66 -11.549   4.908  14.581
  501    HE2  LYS  66           2HE      LYS  66  -9.995   4.671  12.636
  502    HE3  LYS  66           3HE      LYS  66 -10.693   3.079  12.299
  503    HZ1  LYS  66           3HZ      LYS  66 -12.830   4.163  11.924
  504    HZ2  LYS  66           1HZ      LYS  66 -12.192   5.633  12.241
  505    HZ3  LYS  66           2HZ      LYS  66 -11.702   4.795  10.934
  506    H    GLN  67           H        GLN  67  -7.744  -0.538  14.112
  507    HA   GLN  67           HA       GLN  67  -8.821  -2.843  15.511
  508    HB2  GLN  67           2HB      GLN  67  -6.482  -2.631  13.554
  509    HB3  GLN  67           3HB      GLN  67  -7.189  -4.126  14.158
  510    HG2  GLN  67           2HG      GLN  67  -9.389  -3.472  13.150
  511    HG3  GLN  67           3HG      GLN  67  -8.637  -2.027  12.483
  512   HE21  GLN  67          2HE2      GLN  67  -8.283  -2.309  10.246
  513   HE22  GLN  67          1HE2      GLN  67  -7.740  -3.824   9.560
  514    H    GLY  68           H        GLY  68  -5.951  -0.859  15.883
  515    HA2  GLY  68           2HA      GLY  68  -5.181  -0.622  18.230
  516    HA3  GLY  68           1HA      GLY  68  -5.059  -2.377  18.288
  517    H    CYS  69           H        CYS  69  -4.171  -2.164  15.320
  518    HA   CYS  69           HA       CYS  69  -1.439  -2.708  15.683
  519    HG   CYS  69           HG       CYS  69  -3.044  -4.345  12.469
  520    HB2  CYS  69           2HB      CYS  69  -3.123  -1.879  13.289
  521    HB3  CYS  69           3HB      CYS  69  -1.436  -2.366  13.150
  522    H    ASP  70           H        ASP  70   0.419  -1.565  15.131
  523    HA   ASP  70           HA       ASP  70   0.217   1.418  15.261
  524    HB2  ASP  70           2HB      ASP  70   1.328   0.455  17.197
  525    HB3  ASP  70           3HB      ASP  70   2.356  -0.542  16.170
  526    H    CYS  71           H        CYS  71   1.347   2.565  13.608
  527    HA   CYS  71           HA       CYS  71   2.425   0.908  11.391
  528    HG   CYS  71           HG       CYS  71  -1.111   0.952   9.878
  529    HB2  CYS  71           2HB      CYS  71   0.075   2.859  11.359
  530    HB3  CYS  71           3HB      CYS  71   0.914   2.369   9.898
  531    H    GLU  72           H        GLU  72   3.459   2.085   9.661
  532    HA   GLU  72           HA       GLU  72   4.128   4.932  10.036
  533    HB2  GLU  72           2HB      GLU  72   5.865   3.795  11.301
  534    HB3  GLU  72           3HB      GLU  72   6.077   2.581  10.033
  535    HG2  GLU  72           2HG      GLU  72   6.989   4.251   8.512
  536    HG3  GLU  72           3HG      GLU  72   6.662   5.543   9.681
  537    H    CYS  73           H        CYS  73   4.016   5.853   7.929
  538    HA   CYS  73           HA       CYS  73   3.784   4.109   5.593
  539    HG   CYS  73           HG       CYS  73   3.262   8.588   5.580
  540    HB2  CYS  73           2HB      CYS  73   3.916   6.362   4.369
  541    HB3  CYS  73           3HB      CYS  73   2.495   6.079   5.362
  542    H    LEU  74           H        LEU  74   5.509   3.246   4.575
  543    HA   LEU  74           HA       LEU  74   8.243   4.049   5.248
  544    HG   LEU  74           HG       LEU  74   6.736   1.134   5.176
  545    HB2  LEU  74           2HB      LEU  74   7.181   2.226   3.047
  546    HB3  LEU  74           3HB      LEU  74   8.869   2.463   3.466
  547   HD11  LEU  74          1HD1      LEU  74   9.340   0.059   4.007
  548   HD12  LEU  74          2HD1      LEU  74   8.115  -0.860   4.908
  549   HD13  LEU  74          3HD1      LEU  74   7.733  -0.205   3.310
  550   HD21  LEU  74          3HD2      LEU  74   9.622   1.808   5.904
  551   HD22  LEU  74          1HD2      LEU  74   8.144   2.339   6.744
  552   HD23  LEU  74          2HD2      LEU  74   8.617   0.641   6.783
  553    H    GLY  75           H        GLY  75   5.804   4.848   2.812
  554    HA2  GLY  75           2HA      GLY  75   6.710   7.359   2.251
  555    HA3  GLY  75           1HA      GLY  75   7.529   6.349   1.050
  556    H    GLY  76           H        GLY  76   6.075   7.782  -0.369
  557    HA2  GLY  76           2HA      GLY  76   3.540   6.306  -0.903
  558    HA3  GLY  76           1HA      GLY  76   3.569   8.070  -0.901
  559    H    GLY  77           H        GLY  77   2.767   6.624  -3.086
  560    HA2  GLY  77           2HA      GLY  77   4.431   7.723  -5.161
  561    HA3  GLY  77           1HA      GLY  77   4.477   5.951  -5.129
  562    H    ARG  78           H        ARG  78   3.362   6.121  -7.290
  563    HA   ARG  78           HA       ARG  78   0.454   6.097  -6.865
  564    HE   ARG  78           HE       ARG  78   2.283   8.775 -11.976
  565    HB2  ARG  78           2HB      ARG  78  -0.081   7.459  -8.731
  566    HB3  ARG  78           3HB      ARG  78   0.968   8.382  -7.668
  567    HG2  ARG  78           2HG      ARG  78   2.883   7.893  -9.282
  568    HG3  ARG  78           3HG      ARG  78   1.687   7.109 -10.345
  569    HD2  ARG  78           2HD      ARG  78   0.315   9.288 -10.135
  570    HD3  ARG  78           3HD      ARG  78   1.756  10.003  -9.397
  571   HH11  ARG  78          1HH2      ARG  78   1.062  11.713 -10.394
  572   HH12  ARG  78          2HH2      ARG  78   1.227  12.717 -11.783
  573   HH21  ARG  78          1HH1      ARG  78   2.391  10.148 -13.906
  574   HH22  ARG  78          2HH1      ARG  78   2.077  11.827 -13.769
  575    H    ILE  79           H        ILE  79  -0.663   5.052  -8.612
  576    HA   ILE  79           HA       ILE  79   0.961   2.801  -9.716
  577    HB   ILE  79           HB       ILE  79  -1.829   2.879  -8.491
  578   HG12  ILE  79          2HG1      ILE  79   0.692   1.395  -7.604
  579   HG13  ILE  79          3HG1      ILE  79   0.044   2.844  -6.843
  580   HG21  ILE  79          1HG2      ILE  79  -0.358   0.471  -9.674
  581   HG22  ILE  79          2HG2      ILE  79  -2.003   0.479  -8.999
  582   HG23  ILE  79          3HG2      ILE  79  -1.673   1.329 -10.498
  583   HD11  ILE  79          3HD1      ILE  79  -2.049   1.592  -6.274
  584   HD12  ILE  79          1HD1      ILE  79  -1.278   0.107  -6.889
  585   HD13  ILE  79          2HD1      ILE  79  -0.580   0.955  -5.508
  586    H    SER  80           H        SER  80   0.887   2.751 -11.865
  587    HA   SER  80           HA       SER  80  -1.157   4.303 -13.378
  588    HG   SER  80           HG       SER  80   1.732   6.462 -13.032
  589    HB2  SER  80           2HB      SER  80   1.872   4.315 -13.738
  590    HB3  SER  80           3HB      SER  80   0.702   5.259 -14.670
  591    H    HIS  81           H        HIS  81  -0.758   3.877 -15.770
  592    HA   HIS  81           HA       HIS  81  -0.733   2.655 -17.578
  593    HD1  HIS  81           HD1      HIS  81   0.450   4.671 -17.510
  594    HD2  HIS  81           HD2      HIS  81   3.981   2.361 -17.370
  595    HE1  HIS  81           HE1      HIS  81   2.382   6.278 -17.887
  596    HB2  HIS  81           2HB      HIS  81   1.611   1.278 -16.288
  597    HB3  HIS  81           3HB      HIS  81   1.189   1.217 -17.997
  598    H    GLN  82           H        GLN  82  -1.670   1.075 -14.799
  599    HA   GLN  82           HA       GLN  82  -2.444  -1.467 -15.610
  600    HB2  GLN  82           2HB      GLN  82  -4.099  -1.358 -13.915
  601    HB3  GLN  82           3HB      GLN  82  -2.679  -0.516 -13.324
  602    HG2  GLN  82           2HG      GLN  82  -5.143   0.902 -14.421
  603    HG3  GLN  82           3HG      GLN  82  -4.925   0.471 -12.744
  604   HE21  GLN  82          2HE2      GLN  82  -4.003   1.996 -11.407
  605   HE22  GLN  82          1HE2      GLN  82  -3.034   3.343 -11.938
  606    H    SER  83           H        SER  83  -3.874   1.646 -16.527
  607    HA   SER  83           HA       SER  83  -5.737   0.253 -18.383
  608    HG   SER  83           HG       SER  83  -6.560   2.790 -15.477
  609    HB2  SER  83           2HB      SER  83  -7.240   2.250 -17.835
  610    HB3  SER  83           3HB      SER  83  -6.979   1.061 -16.554
  611    H    GLN  84           H        GLN  84  -2.905   1.649 -18.668
  612    HA   GLN  84           HA       GLN  84  -3.683   3.183 -21.107
  613    HB2  GLN  84           2HB      GLN  84  -1.244   3.935 -19.487
  614    HB3  GLN  84           3HB      GLN  84  -2.007   4.789 -20.811
  615    HG2  GLN  84           2HG      GLN  84  -2.792   6.107 -19.150
  616    HG3  GLN  84           3HG      GLN  84  -4.083   4.916 -19.086
  617   HE21  GLN  84          2HE2      GLN  84  -4.453   4.041 -16.956
  618   HE22  GLN  84          1HE2      GLN  84  -3.239   3.972 -15.722
  619    H    ASP  85           H        ASP  85  -2.029   0.505 -19.850
  620    HA   ASP  85           HA       ASP  85  -0.867  -0.055 -22.502
  621    HB2  ASP  85           2HB      ASP  85   1.084   0.857 -21.395
  622    HB3  ASP  85           3HB      ASP  85   0.743  -0.051 -19.920
  623    H    LYS  86           H        LYS  86  -1.132  -1.137 -19.150
  624    HA   LYS  86           HA       LYS  86  -2.801  -2.707 -18.487
  625    HB2  LYS  86           2HB      LYS  86  -3.187  -3.834 -20.658
  626    HB3  LYS  86           3HB      LYS  86  -1.594  -4.592 -20.548
  627    HG2  LYS  86           2HG      LYS  86  -3.406  -6.129 -19.939
  628    HG3  LYS  86           3HG      LYS  86  -2.272  -5.891 -18.626
  629    HD2  LYS  86           2HD      LYS  86  -4.614  -5.986 -17.840
  630    HD3  LYS  86           3HD      LYS  86  -3.828  -4.482 -17.414
  631    HE2  LYS  86           2HE      LYS  86  -6.055  -3.963 -18.094
  632    HE3  LYS  86           3HE      LYS  86  -4.968  -3.345 -19.334
  633    HZ1  LYS  86           3HZ      LYS  86  -5.533  -5.298 -20.690
  634    HZ2  LYS  86           1HZ      LYS  86  -6.520  -5.871 -19.517
  635    HZ3  LYS  86           2HZ      LYS  86  -6.882  -4.484 -20.283
  636    H    LYS  87           H        LYS  87   0.686  -3.142 -19.321
  637    HA   LYS  87           HA       LYS  87   1.236  -4.668 -16.906
  638    HB2  LYS  87           2HB      LYS  87   2.837  -4.433 -18.883
  639    HB3  LYS  87           3HB      LYS  87   3.150  -2.769 -18.339
  640    HG2  LYS  87           2HG      LYS  87   3.807  -3.767 -16.083
  641    HG3  LYS  87           3HG      LYS  87   3.687  -5.355 -16.834
  642    HD2  LYS  87           2HD      LYS  87   5.572  -3.084 -17.551
  643    HD3  LYS  87           3HD      LYS  87   6.007  -4.611 -16.803
  644    HE2  LYS  87           2HE      LYS  87   4.993  -4.249 -19.660
  645    HE3  LYS  87           3HE      LYS  87   6.672  -4.468 -19.175
  646    HZ1  LYS  87           3HZ      LYS  87   6.048  -6.669 -18.278
  647    HZ2  LYS  87           1HZ      LYS  87   4.531  -6.487 -18.892
  648    HZ3  LYS  87           2HZ      LYS  87   5.813  -6.542 -19.893
  649    H    ILE  88           H        ILE  88   1.025  -3.872 -14.875
  650    HA   ILE  88           HA       ILE  88   0.275  -1.084 -14.450
  651    HB   ILE  88           HB       ILE  88   1.027  -3.257 -12.472
  652   HG12  ILE  88          2HG1      ILE  88  -1.677  -2.579 -13.647
  653   HG13  ILE  88          3HG1      ILE  88  -0.799  -4.099 -13.741
  654   HG21  ILE  88          1HG2      ILE  88  -0.534  -0.662 -12.056
  655   HG22  ILE  88          2HG2      ILE  88  -0.198  -1.876 -10.799
  656   HG23  ILE  88          3HG2      ILE  88   1.122  -0.970 -11.492
  657   HD11  ILE  88          3HD1      ILE  88  -1.066  -4.371 -11.256
  658   HD12  ILE  88          1HD1      ILE  88  -2.127  -2.939 -11.266
  659   HD13  ILE  88          2HD1      ILE  88  -2.586  -4.381 -12.167
  660    H    HIS  89           H        HIS  89   1.654   0.523 -13.470
  661    HA   HIS  89           HA       HIS  89   4.479  -0.238 -13.075
  662    HD1  HIS  89           HD1      HIS  89   6.434  -0.514 -14.637
  663    HD2  HIS  89           HD2      HIS  89   6.069   3.682 -14.447
  664    HE1  HIS  89           HE1      HIS  89   8.796   0.419 -14.706
  665    HB2  HIS  89           2HB      HIS  89   3.964   0.882 -15.378
  666    HB3  HIS  89           3HB      HIS  89   3.784   2.366 -14.436
  667    H    VAL  90           H        VAL  90   5.470   0.920 -11.378
  668    HA   VAL  90           HA       VAL  90   3.686   2.683  -9.770
  669    HB   VAL  90           HB       VAL  90   5.393   0.416  -8.669
  670   HG11  VAL  90          1HG1      VAL  90   3.087   1.994  -7.425
  671   HG12  VAL  90          2HG1      VAL  90   4.096   0.771  -6.617
  672   HG13  VAL  90          3HG1      VAL  90   4.799   2.308  -7.134
  673   HG21  VAL  90          3HG2      VAL  90   2.400   0.346  -9.264
  674   HG22  VAL  90          1HG2      VAL  90   3.655  -0.708  -9.956
  675   HG23  VAL  90          2HG2      VAL  90   3.261  -0.830  -8.244
  676    H    TYR  91           H        TYR  91   4.749   4.429  -8.882
  677    HA   TYR  91           HA       TYR  91   7.545   4.572  -8.269
  678    HD1  TYR  91           HD2      TYR  91   5.851   4.163 -12.037
  679    HD2  TYR  91           HD1      TYR  91   6.611   8.124 -10.519
  680    HE1  TYR  91           HE2      TYR  91   4.121   5.070 -13.557
  681    HE2  TYR  91           HE1      TYR  91   4.965   9.060 -12.101
  682    HH   TYR  91           HH       TYR  91   3.663   8.554 -14.031
  683    HB2  TYR  91           2HB      TYR  91   8.144   6.254 -10.022
  684    HB3  TYR  91           3HB      TYR  91   7.865   4.666 -10.693
  685    H    GLY  92           H        GLY  92   8.022   7.071  -7.761
  686    HA2  GLY  92           2HA      GLY  92   6.587   9.197  -7.960
  687    HA3  GLY  92           1HA      GLY  92   5.503   8.378  -6.847
  688    H    TYR  93           H        TYR  93   5.968  10.368  -5.617
  689    HA   TYR  93           HA       TYR  93   7.997   9.987  -3.566
  690    HD1  TYR  93           HD1      TYR  93  10.874  11.136  -3.475
  691    HD2  TYR  93           HD2      TYR  93   7.879  14.194  -3.995
  692    HE1  TYR  93           HE1      TYR  93  12.077  12.578  -1.857
  693    HE2  TYR  93           HE2      TYR  93   9.086  15.656  -2.405
  694    HH   TYR  93           HH       TYR  93  12.114  14.633  -0.756
  695    HB2  TYR  93           2HB      TYR  93   9.303  11.071  -5.342
  696    HB3  TYR  93           3HB      TYR  93   8.077  12.305  -5.552
  697    H    SER  94           H        SER  94   6.645  10.361  -1.782
  698    HA   SER  94           HA       SER  94   4.418  12.280  -1.924
  699    HG   SER  94           HG       SER  94   3.669  12.613   0.442
  700    HB2  SER  94           2HB      SER  94   4.142  10.391  -0.424
  701    HB3  SER  94           3HB      SER  94   5.725  10.662   0.298
  702    H    MET  95           H        MET  95   4.515  14.376  -0.861
  703    HA   MET  95           HA       MET  95   7.252  15.511  -0.800
  704    HB2  MET  95           2HB      MET  95   6.345  17.575  -0.879
  705    HB3  MET  95           3HB      MET  95   5.057  16.705  -1.679
  706    HG2  MET  95           2HG      MET  95   3.875  18.041  -0.218
  707    HG3  MET  95           3HG      MET  95   3.985  16.549   0.710
  708    HE1  MET  95           3HE      MET  95   6.574  19.611   0.130
  709    HE2  MET  95           1HE      MET  95   4.952  20.302   0.369
  710    HE3  MET  95           2HE      MET  95   6.209  20.531   1.602
  711    H    ALA  96           H        ALA  96   4.503  14.531   1.292
  712    HA   ALA  96           HA       ALA  96   5.821  15.578   3.664
  713    HB1  ALA  96           3HB      ALA  96   3.417  15.622   3.501
  714    HB2  ALA  96           1HB      ALA  96   3.351  13.863   3.274
  715    HB3  ALA  96           2HB      ALA  96   3.872  14.541   4.834
  716    H    TYR  97           H        TYR  97   5.738  12.401   2.113
  717    HA   TYR  97           HA       TYR  97   7.251  11.252   4.420
  718    HD1  TYR  97           HD2      TYR  97   5.524  10.604   6.388
  719    HD2  TYR  97           HD1      TYR  97   3.150  11.142   2.825
  720    HE1  TYR  97           HE2      TYR  97   3.718  11.631   7.740
  721    HE2  TYR  97           HE1      TYR  97   1.345  12.085   4.147
  722    HH   TYR  97           HH       TYR  97   0.669  12.851   6.278
  723    HB2  TYR  97           2HB      TYR  97   5.175   9.852   2.713
  724    HB3  TYR  97           3HB      TYR  97   5.934   9.254   4.180
  725    H    GLY  98           H        GLY  98   7.708  11.986   1.158
  726    HA2  GLY  98           2HA      GLY  98   9.537  11.464  -0.121
  727    HA3  GLY  98           1HA      GLY  98  10.066  10.311   1.105
  728    HA   PRO  99           HA       PRO  99   8.403   8.031  -2.637
  729    HB2  PRO  99           2HB      PRO  99  10.647   6.757  -3.474
  730    HB3  PRO  99           3HB      PRO  99  10.341   8.476  -3.867
  731    HG2  PRO  99           2HG      PRO  99  12.125   7.353  -1.702
  732    HG3  PRO  99           3HG      PRO  99  12.451   8.702  -2.830
  733    HD2  PRO  99           2HD      PRO  99  11.519   8.994  -0.215
  734    HD3  PRO  99           3HD      PRO  99  11.264  10.202  -1.496
  735    H    ALA 100           H        ALA 100   7.523   6.001  -2.390
  736    HA   ALA 100           HA       ALA 100   8.145   4.364  -0.054
  737    HB1  ALA 100           3HB      ALA 100   5.864   4.448  -1.017
  738    HB2  ALA 100           1HB      ALA 100   6.489   3.817  -2.545
  739    HB3  ALA 100           2HB      ALA 100   6.521   2.808  -1.091
  740    H    GLN 101           H        GLN 101   8.624   1.942  -0.451
  741    HA   GLN 101           HA       GLN 101  11.145   1.624  -1.782
  742    HB2  GLN 101           2HB      GLN 101   9.109  -0.394  -0.727
  743    HB3  GLN 101           3HB      GLN 101  10.672  -0.858  -1.390
  744    HG2  GLN 101           2HG      GLN 101  10.304   0.946   1.039
  745    HG3  GLN 101           3HG      GLN 101  10.657  -0.779   1.078
  746   HE21  GLN 101          2HE2      GLN 101  12.078   2.395   0.743
  747   HE22  GLN 101          1HE2      GLN 101  13.713   1.857   0.463
  748    H    HIS 102           H        HIS 102   7.828   1.049  -2.805
  749    HA   HIS 102           HA       HIS 102   6.777   0.325  -4.583
  750    HD1  HIS 102           HD1      HIS 102   9.515   3.856  -5.826
  751    HD2  HIS 102           HD2      HIS 102   5.650   2.398  -5.010
  752    HE1  HIS 102           HE1      HIS 102   8.121   5.848  -5.160
  753    HB2  HIS 102           2HB      HIS 102   9.232   1.221  -6.090
  754    HB3  HIS 102           3HB      HIS 102   7.645   0.891  -6.794
  755    H    ALA 103           H        ALA 103  10.016  -1.127  -4.399
  756    HA   ALA 103           HA       ALA 103   9.583  -3.406  -5.975
  757    HB1  ALA 103           3HB      ALA 103  11.770  -2.706  -5.030
  758    HB2  ALA 103           1HB      ALA 103  11.194  -3.077  -3.390
  759    HB3  ALA 103           2HB      ALA 103  11.396  -4.383  -4.581
  760    H    ILE 104           H        ILE 104   8.647  -2.789  -2.564
  761    HA   ILE 104           HA       ILE 104   7.742  -5.456  -2.010
  762    HB   ILE 104           HB       ILE 104   6.909  -2.773  -0.827
  763   HG12  ILE 104          2HG1      ILE 104   8.897  -4.838   0.230
  764   HG13  ILE 104          3HG1      ILE 104   9.354  -3.352  -0.597
  765   HG21  ILE 104          1HG2      ILE 104   6.467  -5.588   0.280
  766   HG22  ILE 104          2HG2      ILE 104   6.037  -4.071   1.101
  767   HG23  ILE 104          3HG2      ILE 104   5.202  -4.524  -0.373
  768   HD11  ILE 104          3HD1      ILE 104   8.215  -2.018   1.184
  769   HD12  ILE 104          1HD1      ILE 104   7.964  -3.530   2.094
  770   HD13  ILE 104          2HD1      ILE 104   9.602  -2.975   1.741
  771    H    SER 105           H        SER 105   6.090  -2.480  -3.260
  772    HA   SER 105           HA       SER 105   3.527  -3.488  -3.440
  773    HG   SER 105           HG       SER 105   4.449   0.036  -3.804
  774    HB2  SER 105           2HB      SER 105   4.629  -1.562  -5.488
  775    HB3  SER 105           3HB      SER 105   3.067  -1.549  -4.654
  776    H    THR 106           H        THR 106   6.172  -3.595  -5.989
  777    HA   THR 106           HA       THR 106   4.420  -4.738  -7.911
  778    HB   THR 106           HB       THR 106   6.636  -5.483  -8.985
  779    HG1  THR 106           1HG      THR 106   8.395  -5.130  -7.890
  780   HG21  THR 106          3HG2      THR 106   5.462  -3.533  -9.703
  781   HG22  THR 106          1HG2      THR 106   6.070  -2.565  -8.335
  782   HG23  THR 106          2HG2      THR 106   7.183  -3.149  -9.593
  783    H    GLU 107           H        GLU 107   6.831  -6.363  -5.742
  784    HA   GLU 107           HA       GLU 107   6.269  -8.929  -6.759
  785    HB2  GLU 107           2HB      GLU 107   7.244  -8.090  -3.998
  786    HB3  GLU 107           3HB      GLU 107   7.240  -9.755  -4.586
  787    HG2  GLU 107           2HG      GLU 107   8.794  -7.442  -5.830
  788    HG3  GLU 107           3HG      GLU 107   9.462  -8.713  -4.817
  789    H    LYS 108           H        LYS 108   4.638  -7.140  -4.107
  790    HA   LYS 108           HA       LYS 108   2.846  -9.307  -3.439
  791    HB2  LYS 108           2HB      LYS 108   2.681  -6.281  -3.039
  792    HB3  LYS 108           3HB      LYS 108   1.434  -7.423  -2.513
  793    HG2  LYS 108           2HG      LYS 108   3.098  -8.669  -1.192
  794    HG3  LYS 108           3HG      LYS 108   4.327  -7.455  -1.570
  795    HD2  LYS 108           2HD      LYS 108   3.044  -5.704  -0.458
  796    HD3  LYS 108           3HD      LYS 108   1.662  -6.771  -0.238
  797    HE2  LYS 108           2HE      LYS 108   4.376  -7.001   1.133
  798    HE3  LYS 108           3HE      LYS 108   2.833  -6.537   1.863
  799    HZ1  LYS 108           3HZ      LYS 108   2.056  -8.839   1.115
  800    HZ2  LYS 108           1HZ      LYS 108   3.633  -9.207   0.907
  801    HZ3  LYS 108           2HZ      LYS 108   3.110  -8.787   2.393
  802    H    ILE 109           H        ILE 109   2.314  -6.407  -5.585
  803    HA   ILE 109           HA       ILE 109  -0.345  -7.247  -6.130
  804    HB   ILE 109           HB       ILE 109   1.440  -5.374  -7.725
  805   HG12  ILE 109          2HG1      ILE 109  -0.809  -4.616  -5.798
  806   HG13  ILE 109          3HG1      ILE 109   0.833  -4.788  -5.232
  807   HG21  ILE 109          1HG2      ILE 109  -1.621  -5.621  -7.756
  808   HG22  ILE 109          2HG2      ILE 109  -0.644  -4.497  -8.722
  809   HG23  ILE 109          3HG2      ILE 109  -0.579  -6.224  -9.041
  810   HD11  ILE 109          3HD1      ILE 109   1.581  -3.053  -6.881
  811   HD12  ILE 109          1HD1      ILE 109  -0.121  -2.801  -7.334
  812   HD13  ILE 109          2HD1      ILE 109   0.415  -2.459  -5.685
  813    H    LYS 110           H        LYS 110   2.738  -7.939  -7.928
  814    HA   LYS 110           HA       LYS 110   1.598  -9.318 -10.134
  815    HB2  LYS 110           2HB      LYS 110   4.123  -9.976  -8.561
  816    HB3  LYS 110           3HB      LYS 110   3.702 -10.691 -10.115
  817    HG2  LYS 110           2HG      LYS 110   4.083  -8.673 -11.313
  818    HG3  LYS 110           3HG      LYS 110   4.240  -7.724  -9.828
  819    HD2  LYS 110           2HD      LYS 110   6.171  -9.140  -9.130
  820    HD3  LYS 110           3HD      LYS 110   6.060 -10.031 -10.658
  821    HE2  LYS 110           2HE      LYS 110   6.601  -7.971 -11.904
  822    HE3  LYS 110           3HE      LYS 110   6.587  -7.043 -10.405
  823    HZ1  LYS 110           3HZ      LYS 110   8.439  -8.457  -9.613
  824    HZ2  LYS 110           1HZ      LYS 110   8.503  -9.198 -11.073
  825    HZ3  LYS 110           2HZ      LYS 110   8.837  -7.604 -10.964
  826    H    ALA 111           H        ALA 111   2.420 -10.522  -6.829
  827    HA   ALA 111           HA       ALA 111   1.737 -13.231  -7.402
  828    HB1  ALA 111           3HB      ALA 111   3.275 -12.562  -5.592
  829    HB2  ALA 111           1HB      ALA 111   1.932 -11.778  -4.726
  830    HB3  ALA 111           2HB      ALA 111   1.932 -13.536  -4.967
  831    H    LYS 112           H        LYS 112  -0.290 -10.470  -6.422
  832    HA   LYS 112           HA       LYS 112  -2.237 -11.996  -5.002
  833    HB2  LYS 112           2HB      LYS 112  -2.264  -9.253  -6.292
  834    HB3  LYS 112           3HB      LYS 112  -3.711  -9.921  -5.540
  835    HG2  LYS 112           2HG      LYS 112  -1.089  -9.463  -4.088
  836    HG3  LYS 112           3HG      LYS 112  -2.462  -8.378  -4.120
  837    HD2  LYS 112           2HD      LYS 112  -2.959  -9.401  -2.157
  838    HD3  LYS 112           3HD      LYS 112  -3.773 -10.534  -3.218
  839    HE2  LYS 112           2HE      LYS 112  -2.518 -11.761  -1.571
  840    HE3  LYS 112           3HE      LYS 112  -1.728 -12.017  -3.128
  841    HZ1  LYS 112           3HZ      LYS 112  -0.088 -10.326  -2.457
  842    HZ2  LYS 112           1HZ      LYS 112  -0.855 -10.123  -1.015
  843    HZ3  LYS 112           2HZ      LYS 112  -0.139 -11.547  -1.367
  844    H    TYR 113           H        TYR 113  -2.278 -10.841  -8.416
  845    HA   TYR 113           HA       TYR 113  -4.047 -13.035  -9.128
  846    HD1  TYR 113           HD1      TYR 113  -5.954 -10.101 -11.405
  847    HD2  TYR 113           HD2      TYR 113  -4.966  -9.225  -7.298
  848    HE1  TYR 113           HE1      TYR 113  -6.071  -7.686 -11.899
  849    HE2  TYR 113           HE2      TYR 113  -5.065  -6.800  -7.785
  850    HH   TYR 113           HH       TYR 113  -5.862  -5.523 -11.049
  851    HB2  TYR 113           2HB      TYR 113  -6.028 -11.846  -9.677
  852    HB3  TYR 113           3HB      TYR 113  -5.655 -11.507  -8.009
  853    HA   PRO 114           HA       PRO 114  -3.510 -10.032 -12.929
  854    HB2  PRO 114           2HB      PRO 114  -0.551  -9.504 -12.557
  855    HB3  PRO 114           3HB      PRO 114  -1.776  -8.516 -13.409
  856    HG2  PRO 114           2HG      PRO 114  -1.021  -7.865 -10.900
  857    HG3  PRO 114           3HG      PRO 114  -2.765  -7.837 -11.332
  858    HD2  PRO 114           2HD      PRO 114  -1.212 -10.010  -9.910
  859    HD3  PRO 114           3HD      PRO 114  -2.802  -9.302  -9.494
  860    H    ASP 115           H        ASP 115  -3.505 -11.275 -14.711
  861    HA   ASP 115           HA       ASP 115  -1.701 -13.563 -15.081
  862    HB2  ASP 115           2HB      ASP 115  -3.983 -13.640 -15.969
  863    HB3  ASP 115           3HB      ASP 115  -3.701 -12.174 -16.913
  864    H    TYR 116           H        TYR 116  -1.949 -10.204 -15.940
  865    HA   TYR 116           HA       TYR 116   0.392 -10.056 -17.697
  866    HD1  TYR 116           HD2      TYR 116  -3.520  -9.246 -17.234
  867    HD2  TYR 116           HD1      TYR 116  -0.816  -6.303 -15.590
  868    HE1  TYR 116           HE2      TYR 116  -5.335  -8.392 -15.786
  869    HE2  TYR 116           HE1      TYR 116  -2.644  -5.410 -14.201
  870    HH   TYR 116           HH       TYR 116  -4.881  -5.587 -13.583
  871    HB2  TYR 116           2HB      TYR 116  -0.215  -7.591 -17.612
  872    HB3  TYR 116           3HB      TYR 116  -1.373  -8.665 -18.342
  873    H    GLU 117           H        GLU 117   1.319  -7.511 -16.451
  874    HA   GLU 117           HA       GLU 117   2.693  -8.638 -14.059
  875    HB2  GLU 117           2HB      GLU 117   3.974  -9.248 -15.978
  876    HB3  GLU 117           3HB      GLU 117   3.848  -7.644 -16.685
  877    HG2  GLU 117           2HG      GLU 117   5.320  -6.705 -15.047
  878    HG3  GLU 117           3HG      GLU 117   5.325  -8.213 -14.089
  879    H    VAL 118           H        VAL 118   4.147  -6.939 -13.067
  880    HA   VAL 118           HA       VAL 118   3.033  -4.217 -13.060
  881    HB   VAL 118           HB       VAL 118   3.777  -5.731 -10.544
  882   HG11  VAL 118          1HG1      VAL 118   1.770  -3.506 -10.514
  883   HG12  VAL 118          2HG1      VAL 118   2.896  -4.041  -9.291
  884   HG13  VAL 118          3HG1      VAL 118   3.490  -3.114 -10.679
  885   HG21  VAL 118          3HG2      VAL 118   0.951  -5.599 -11.649
  886   HG22  VAL 118          1HG2      VAL 118   1.924  -7.061 -11.381
  887   HG23  VAL 118          2HG2      VAL 118   1.414  -6.108 -10.006
  888    H    THR 119           H        THR 119   4.883  -2.769 -13.010
  889    HA   THR 119           HA       THR 119   7.463  -3.865 -12.005
  890    HB   THR 119           HB       THR 119   8.548  -2.579 -13.933
  891    HG1  THR 119           1HG      THR 119   7.226  -2.387 -15.787
  892   HG21  THR 119          3HG2      THR 119   8.477  -5.045 -13.842
  893   HG22  THR 119          1HG2      THR 119   6.907  -5.034 -14.666
  894   HG23  THR 119          2HG2      THR 119   8.358  -4.439 -15.502
  895    H    TRP 120           H        TRP 120   9.103  -1.953 -11.759
  896    HA   TRP 120           HA       TRP 120   7.784   0.599 -11.265
  897    HD1  TRP 120           HD1      TRP 120   9.249  -2.848  -8.806
  898    HE1  TRP 120           HE1      TRP 120  11.536  -3.249  -7.773
  899    HE3  TRP 120           HE3      TRP 120  10.890   2.033  -8.564
  900    HZ2  TRP 120           HZ2      TRP 120  13.796  -1.675  -6.897
  901    HZ3  TRP 120           HZ3      TRP 120  13.140   2.506  -7.614
  902    HH2  TRP 120           HH2      TRP 120  14.582   0.686  -6.784
  903    HB2  TRP 120           2HB      TRP 120   8.600   0.904  -9.060
  904    HB3  TRP 120           3HB      TRP 120   7.713  -0.606  -9.051
  905    H    ALA 121           H        ALA 121   9.243   2.319 -11.338
  906    HA   ALA 121           HA       ALA 121  12.106   1.984 -11.418
  907    HB1  ALA 121           3HB      ALA 121  11.641   1.497 -13.816
  908    HB2  ALA 121           1HB      ALA 121  10.636   2.955 -13.934
  909    HB3  ALA 121           2HB      ALA 121  12.383   3.100 -13.643
  910    H    ASN 122           H        ASN 122  12.518   3.687  -9.986
  911    HA   ASN 122           HA       ASN 122  10.345   5.456  -9.427
  912    HB2  ASN 122           2HB      ASN 122  12.183   4.431  -7.830
  913    HB3  ASN 122           3HB      ASN 122  13.018   5.948  -8.144
  914   HD21  ASN 122          2HD2      ASN 122  10.967   7.874  -8.128
  915   HD22  ASN 122          1HD2      ASN 122  10.044   7.773  -6.628
  916    H    ASP 123           H        ASP 123  11.654   5.846 -12.109
  917    HA   ASP 123           HA       ASP 123  13.277   8.210 -12.199
  918    HB2  ASP 123           2HB      ASP 123  13.191   6.566 -14.020
  919    HB3  ASP 123           3HB      ASP 123  11.467   6.884 -14.251
  920    H    GLY 124           H        GLY 124   9.807   7.646 -12.046
  921    HA2  GLY 124           2HA      GLY 124   9.160  10.522 -12.406
  922    HA3  GLY 124           1HA      GLY 124   8.010   9.203 -12.184
  923    H    TYR 125           H        TYR 125   8.331  11.753 -10.695
  924    HA   TYR 125           HA       TYR 125   8.597  10.756  -7.913
  925    HD1  TYR 125           HD1      TYR 125  11.082  10.648  -6.555
  926    HD2  TYR 125           HD2      TYR 125  11.709  12.405 -10.446
  927    HE1  TYR 125           HE1      TYR 125  13.241   9.472  -6.724
  928    HE2  TYR 125           HE2      TYR 125  13.877  11.229 -10.628
  929    HH   TYR 125           HH       TYR 125  15.144   9.097  -8.021
  930    HB2  TYR 125           2HB      TYR 125   9.961  13.237  -9.037
  931    HB3  TYR 125           3HB      TYR 125   9.889  12.794  -7.345
  Start of MODEL   11
    1    HA   MET   1           HA       MET   1 -12.663  -2.196  20.414
    2    H1   MET   1           H1       MET   1 -15.247  -3.461  20.640
    3    H2   MET   1           H2       MET   1 -14.864  -1.886  20.468
    4    H3   MET   1           H3       MET   1 -14.676  -2.606  21.928
    5    HB2  MET   1           2HB      MET   1 -11.442  -3.993  21.395
    6    HB3  MET   1           3HB      MET   1 -12.573  -3.388  22.591
    7    HG2  MET   1           2HG      MET   1 -14.074  -5.332  22.136
    8    HG3  MET   1           3HG      MET   1 -12.918  -5.925  20.934
    9    HE1  MET   1           3HE      MET   1 -14.003  -7.769  23.229
   10    HE2  MET   1           1HE      MET   1 -12.789  -8.287  22.034
   11    HE3  MET   1           2HE      MET   1 -12.506  -8.561  23.767
   12    H    ALA   2           H        ALA   2 -11.193  -3.938  19.152
   13    HA   ALA   2           HA       ALA   2 -12.690  -5.684  17.353
   14    HB1  ALA   2           3HB      ALA   2 -12.670  -3.546  16.092
   15    HB2  ALA   2           1HB      ALA   2 -10.914  -3.409  16.339
   16    HB3  ALA   2           2HB      ALA   2 -11.577  -4.721  15.340
   17    H    VAL   3           H        VAL   3 -11.024  -7.027  16.108
   18    HA   VAL   3           HA       VAL   3  -8.323  -7.070  17.159
   19    HB   VAL   3           HB       VAL   3  -9.626  -8.318  18.870
   20   HG11  VAL   3          1HG1      VAL   3 -10.274 -10.335  16.687
   21   HG12  VAL   3          2HG1      VAL   3 -10.607 -10.499  18.422
   22   HG13  VAL   3          3HG1      VAL   3 -11.435  -9.250  17.485
   23   HG21  VAL   3          3HG2      VAL   3  -7.795 -10.198  17.339
   24   HG22  VAL   3          1HG2      VAL   3  -7.243  -8.887  18.411
   25   HG23  VAL   3          2HG2      VAL   3  -8.194 -10.227  19.063
   26    H    ALA   4           H        ALA   4  -6.999  -8.618  15.855
   27    HA   ALA   4           HA       ALA   4  -8.001  -9.693  13.377
   28    HB1  ALA   4           3HB      ALA   4  -7.929  -7.244  12.827
   29    HB2  ALA   4           1HB      ALA   4  -6.221  -7.195  13.318
   30    HB3  ALA   4           2HB      ALA   4  -6.726  -8.154  11.910
   31    H    ASP   5           H        ASP   5  -5.676  -9.956  12.023
   32    HA   ASP   5           HA       ASP   5  -3.360 -10.420  13.721
   33    HB2  ASP   5           2HB      ASP   5  -4.446 -12.636  13.857
   34    HB3  ASP   5           3HB      ASP   5  -4.653 -12.667  12.104
   35    H    LEU   6           H        LEU   6  -1.459 -10.305  12.328
   36    HA   LEU   6           HA       LEU   6  -1.765  -8.491  10.220
   37    HG   LEU   6           HG       LEU   6   0.191  -8.898  12.765
   38    HB2  LEU   6           2HB      LEU   6   0.563 -10.359  10.828
   39    HB3  LEU   6           3HB      LEU   6   0.616  -8.972   9.756
   40   HD11  LEU   6          1HD1      LEU   6   2.473  -7.861  11.037
   41   HD12  LEU   6          2HD1      LEU   6   2.373  -7.804  12.801
   42   HD13  LEU   6          3HD1      LEU   6   2.507  -9.363  11.985
   43   HD21  LEU   6          3HD2      LEU   6   0.238  -6.595  10.766
   44   HD22  LEU   6          1HD2      LEU   6  -1.110  -7.068  11.831
   45   HD23  LEU   6          2HD2      LEU   6   0.363  -6.414  12.530
   46    H    ALA   7           H        ALA   7  -1.759 -12.062  10.038
   47    HA   ALA   7           HA       ALA   7  -1.288 -12.146   7.217
   48    HB1  ALA   7           3HB      ALA   7  -0.887 -14.076   8.715
   49    HB2  ALA   7           1HB      ALA   7  -2.636 -14.181   9.041
   50    HB3  ALA   7           2HB      ALA   7  -2.014 -14.485   7.407
   51    H    LEU   8           H        LEU   8  -4.117 -11.475   9.194
   52    HA   LEU   8           HA       LEU   8  -6.055 -12.198   7.102
   53    HG   LEU   8           HG       LEU   8  -5.700 -13.226  10.057
   54    HB2  LEU   8           2HB      LEU   8  -6.427 -10.836   9.803
   55    HB3  LEU   8           3HB      LEU   8  -7.721 -11.361   8.738
   56   HD11  LEU   8          1HD1      LEU   8  -8.629 -12.695  10.715
   57   HD12  LEU   8          2HD1      LEU   8  -7.580 -13.904  11.491
   58   HD13  LEU   8          3HD1      LEU   8  -7.230 -12.182  11.683
   59   HD21  LEU   8          3HD2      LEU   8  -8.199 -13.838   8.417
   60   HD22  LEU   8          1HD2      LEU   8  -6.517 -14.205   7.967
   61   HD23  LEU   8          2HD2      LEU   8  -7.256 -15.031   9.339
   62    H    ILE   9           H        ILE   9  -4.327  -9.315   8.208
   63    HA   ILE   9           HA       ILE   9  -6.139  -7.376   7.194
   64    HB   ILE   9           HB       ILE   9  -3.119  -7.134   7.351
   65   HG12  ILE   9          2HG1      ILE   9  -5.236  -6.487   9.466
   66   HG13  ILE   9          3HG1      ILE   9  -4.081  -7.817   9.538
   67   HG21  ILE   9          1HG2      ILE   9  -5.286  -4.989   7.361
   68   HG22  ILE   9          2HG2      ILE   9  -3.536  -4.704   7.482
   69   HG23  ILE   9          3HG2      ILE   9  -4.207  -5.359   6.001
   70   HD11  ILE   9          3HD1      ILE   9  -2.206  -6.157   9.535
   71   HD12  ILE   9          1HD1      ILE   9  -3.428  -4.873   9.738
   72   HD13  ILE   9          2HD1      ILE   9  -3.258  -6.134  10.966
   73    HA   PRO  10           HA       PRO  10  -5.762  -8.238   2.748
   74    HB2  PRO  10           2HB      PRO  10  -6.288  -5.253   2.759
   75    HB3  PRO  10           3HB      PRO  10  -6.943  -6.497   1.641
   76    HG2  PRO  10           2HG      PRO  10  -8.454  -5.615   3.697
   77    HG3  PRO  10           3HG      PRO  10  -8.356  -7.381   3.382
   78    HD2  PRO  10           2HD      PRO  10  -6.873  -5.751   5.455
   79    HD3  PRO  10           3HD      PRO  10  -7.652  -7.355   5.615
   80    H    ASP  11           H        ASP  11  -3.820  -8.445   1.755
   81    HA   ASP  11           HA       ASP  11  -1.560  -6.937   2.722
   82    HB2  ASP  11           2HB      ASP  11  -1.787  -9.437   1.972
   83    HB3  ASP  11           3HB      ASP  11  -1.494  -8.814   0.345
   84    H    VAL  12           H        VAL  12  -3.449  -6.979  -0.279
   85    HA   VAL  12           HA       VAL  12  -2.325  -4.360  -1.108
   86    HB   VAL  12           HB       VAL  12  -2.782  -6.834  -2.824
   87   HG11  VAL  12          1HG1      VAL  12  -1.962  -4.045  -3.750
   88   HG12  VAL  12          2HG1      VAL  12  -2.069  -5.509  -4.761
   89   HG13  VAL  12          3HG1      VAL  12  -3.532  -4.824  -4.065
   90   HG21  VAL  12          3HG2      VAL  12  -0.232  -5.306  -2.251
   91   HG22  VAL  12          1HG2      VAL  12  -0.655  -6.950  -1.712
   92   HG23  VAL  12          2HG2      VAL  12  -0.424  -6.626  -3.429
   93    H    ASP  13           H        ASP  13  -4.045  -2.954  -1.478
   94    HA   ASP  13           HA       ASP  13  -6.496  -3.923  -2.634
   95    HB2  ASP  13           2HB      ASP  13  -7.057  -4.294  -0.227
   96    HB3  ASP  13           3HB      ASP  13  -6.648  -2.616   0.121
   97    H    ILE  14           H        ILE  14  -7.050  -2.329  -4.052
   98    HA   ILE  14           HA       ILE  14  -6.247   0.444  -3.615
   99    HB   ILE  14           HB       ILE  14  -5.159   0.537  -5.855
  100   HG12  ILE  14          2HG1      ILE  14  -5.114  -2.513  -5.754
  101   HG13  ILE  14          3HG1      ILE  14  -6.127  -1.542  -6.824
  102   HG21  ILE  14          1HG2      ILE  14  -3.659  -1.356  -4.004
  103   HG22  ILE  14          2HG2      ILE  14  -2.976  -0.179  -5.143
  104   HG23  ILE  14          3HG2      ILE  14  -3.849   0.386  -3.722
  105   HD11  ILE  14          3HD1      ILE  14  -4.055  -0.568  -7.850
  106   HD12  ILE  14          1HD1      ILE  14  -3.088  -1.698  -6.870
  107   HD13  ILE  14          2HD1      ILE  14  -4.227  -2.320  -8.071
  108    H    ASP  15           H        ASP  15  -7.192   1.830  -5.388
  109    HA   ASP  15           HA       ASP  15  -9.936   1.160  -5.890
  110    HB2  ASP  15           2HB      ASP  15  -9.160   3.463  -5.741
  111    HB3  ASP  15           3HB      ASP  15  -8.182   3.262  -7.200
  112    H    SER  16           H        SER  16 -10.991   0.542  -7.800
  113    HA   SER  16           HA       SER  16  -9.817  -1.677  -9.000
  114    HG   SER  16           HG       SER  16 -13.371  -1.455  -8.433
  115    HB2  SER  16           2HB      SER  16 -12.259  -0.157  -9.980
  116    HB3  SER  16           3HB      SER  16 -11.919  -1.887 -10.156
  117    H    ASP  17           H        ASP  17 -10.095   1.650 -10.350
  118    HA   ASP  17           HA       ASP  17  -8.395   0.911 -12.631
  119    HB2  ASP  17           2HB      ASP  17 -10.576   0.247 -13.485
  120    HB3  ASP  17           3HB      ASP  17 -11.305   1.754 -12.930
  121    H    GLY  18           H        GLY  18  -7.068   2.669 -13.012
  122    HA2  GLY  18           2HA      GLY  18  -7.666   5.157 -13.700
  123    HA3  GLY  18           1HA      GLY  18  -7.841   5.318 -11.950
  124    H    VAL  19           H        VAL  19  -6.157   6.929 -12.293
  125    HA   VAL  19           HA       VAL  19  -3.502   5.736 -11.785
  126    HB   VAL  19           HB       VAL  19  -4.107   8.335 -13.280
  127   HG11  VAL  19          1HG1      VAL  19  -1.460   7.098 -12.426
  128   HG12  VAL  19          2HG1      VAL  19  -1.631   8.488 -13.533
  129   HG13  VAL  19          3HG1      VAL  19  -2.157   8.624 -11.850
  130   HG21  VAL  19          3HG2      VAL  19  -2.869   5.725 -14.247
  131   HG22  VAL  19          1HG2      VAL  19  -4.390   6.451 -14.791
  132   HG23  VAL  19          2HG2      VAL  19  -2.862   7.248 -15.165
  133    H    PHE  20           H        PHE  20  -2.878   6.291  -9.699
  134    HA   PHE  20           HA       PHE  20  -4.019   8.611  -8.313
  135    HD1  PHE  20           HD2      PHE  20  -3.660   4.855  -6.324
  136    HD2  PHE  20           HD1      PHE  20  -6.601   5.424  -9.429
  137    HE1  PHE  20           HE2      PHE  20  -3.793   2.407  -6.649
  138    HE2  PHE  20           HE1      PHE  20  -6.718   2.969  -9.759
  139    HZ   PHE  20           HZ       PHE  20  -5.323   1.456  -8.369
  140    HB2  PHE  20           2HB      PHE  20  -5.096   7.049  -6.597
  141    HB3  PHE  20           3HB      PHE  20  -5.931   7.264  -8.123
  142    H    LYS  21           H        LYS  21  -3.313   8.692  -6.001
  143    HA   LYS  21           HA       LYS  21  -0.526   7.913  -5.780
  144    HB2  LYS  21           2HB      LYS  21  -2.322   9.042  -3.604
  145    HB3  LYS  21           3HB      LYS  21  -0.569   9.025  -3.696
  146    HG2  LYS  21           2HG      LYS  21  -2.470  10.763  -5.280
  147    HG3  LYS  21           3HG      LYS  21  -1.272  11.250  -4.077
  148    HD2  LYS  21           2HD      LYS  21   0.504  10.298  -5.694
  149    HD3  LYS  21           3HD      LYS  21  -0.780  10.237  -6.905
  150    HE2  LYS  21           2HE      LYS  21   0.291  12.698  -5.463
  151    HE3  LYS  21           3HE      LYS  21   0.536  12.266  -7.158
  152    HZ1  LYS  21           3HZ      LYS  21  -1.911  12.545  -7.446
  153    HZ2  LYS  21           1HZ      LYS  21  -2.008  13.121  -5.901
  154    HZ3  LYS  21           2HZ      LYS  21  -1.145  13.920  -7.019
  155    H    TYR  22           H        TYR  22   0.283   6.605  -3.998
  156    HA   TYR  22           HA       TYR  22  -1.596   4.937  -2.539
  157    HD1  TYR  22           HD1      TYR  22   1.862   4.276  -5.129
  158    HD2  TYR  22           HD2      TYR  22   0.308   1.716  -2.044
  159    HE1  TYR  22           HE1      TYR  22   4.158   3.592  -4.552
  160    HE2  TYR  22           HE2      TYR  22   2.605   0.996  -1.465
  161    HH   TYR  22           HH       TYR  22   5.475   2.468  -2.990
  162    HB2  TYR  22           2HB      TYR  22  -1.148   2.934  -3.481
  163    HB3  TYR  22           3HB      TYR  22  -0.601   3.837  -4.869
  164    H    VAL  23           H        VAL  23  -0.345   3.787  -0.739
  165    HA   VAL  23           HA       VAL  23   2.298   4.961  -0.159
  166    HB   VAL  23           HB       VAL  23   1.659   5.172   2.258
  167   HG11  VAL  23          1HG1      VAL  23   0.267   7.063   0.328
  168   HG12  VAL  23          2HG1      VAL  23   0.616   7.398   2.041
  169   HG13  VAL  23          3HG1      VAL  23   1.941   7.152   0.899
  170   HG21  VAL  23          3HG2      VAL  23  -1.201   4.992   1.224
  171   HG22  VAL  23          1HG2      VAL  23  -0.400   3.856   2.309
  172   HG23  VAL  23          2HG2      VAL  23  -0.719   5.521   2.844
  173    H    LEU  24           H        LEU  24   3.582   3.702   1.132
  174    HA   LEU  24           HA       LEU  24   2.847   0.813   1.287
  175    HG   LEU  24           HG       LEU  24   6.566   0.055   1.026
  176    HB2  LEU  24           2HB      LEU  24   4.966   1.708   0.037
  177    HB3  LEU  24           3HB      LEU  24   5.592   2.110   1.615
  178   HD11  LEU  24          1HD1      LEU  24   4.239  -0.946   2.705
  179   HD12  LEU  24          2HD1      LEU  24   5.901  -1.556   2.635
  180   HD13  LEU  24          3HD1      LEU  24   5.578   0.022   3.369
  181   HD21  LEU  24          3HD2      LEU  24   3.815  -0.984   0.246
  182   HD22  LEU  24          1HD2      LEU  24   5.112  -0.462  -0.851
  183   HD23  LEU  24          2HD2      LEU  24   5.342  -1.889   0.162
  184    H    ILE  25           H        ILE  25   2.255   0.243   3.411
  185    HA   ILE  25           HA       ILE  25   3.236   1.992   5.635
  186    HB   ILE  25           HB       ILE  25   0.456   0.900   5.150
  187   HG12  ILE  25          2HG1      ILE  25   1.391   3.732   5.778
  188   HG13  ILE  25          3HG1      ILE  25   1.136   3.136   4.140
  189   HG21  ILE  25          1HG2      ILE  25   1.558   2.126   7.716
  190   HG22  ILE  25          2HG2      ILE  25  -0.152   1.736   7.415
  191   HG23  ILE  25          3HG2      ILE  25   1.021   0.444   7.503
  192   HD11  ILE  25          3HD1      ILE  25  -1.241   2.692   4.647
  193   HD12  ILE  25          1HD1      ILE  25  -1.020   3.386   6.276
  194   HD13  ILE  25          2HD1      ILE  25  -0.804   4.396   4.852
  195    H    ARG  26           H        ARG  26   4.271   0.983   7.159
  196    HA   ARG  26           HA       ARG  26   4.464  -1.971   7.193
  197    HE   ARG  26           HE       ARG  26   7.032  -0.892  11.330
  198    HB2  ARG  26           2HB      ARG  26   6.481  -0.416   7.425
  199    HB3  ARG  26           3HB      ARG  26   5.802   0.133   8.960
  200    HG2  ARG  26           2HG      ARG  26   5.914  -2.287   9.768
  201    HG3  ARG  26           3HG      ARG  26   6.661  -2.711   8.222
  202    HD2  ARG  26           2HD      ARG  26   8.417  -2.442   9.835
  203    HD3  ARG  26           3HD      ARG  26   8.501  -1.066   8.727
  204   HH11  ARG  26          1HH2      ARG  26   9.756   0.326   9.385
  205   HH12  ARG  26          2HH2      ARG  26  10.115   1.604  10.483
  206   HH21  ARG  26          1HH1      ARG  26   7.555   0.657  12.779
  207   HH22  ARG  26          2HH1      ARG  26   8.812   1.816  12.484
  208    H    VAL  27           H        VAL  27   3.748  -3.109   9.035
  209    HA   VAL  27           HA       VAL  27   1.877  -1.778  10.911
  210    HB   VAL  27           HB       VAL  27   1.392  -4.386   9.390
  211   HG11  VAL  27          1HG1      VAL  27  -0.564  -2.616  10.903
  212   HG12  VAL  27          2HG1      VAL  27  -0.917  -4.165  10.131
  213   HG13  VAL  27          3HG1      VAL  27   0.148  -4.111  11.538
  214   HG21  VAL  27          3HG2      VAL  27   0.267  -1.654   8.659
  215   HG22  VAL  27          1HG2      VAL  27   1.310  -2.685   7.652
  216   HG23  VAL  27          2HG2      VAL  27  -0.328  -3.203   8.029
  217    H    HIS  28           H        HIS  28   1.897  -2.874  12.962
  218    HA   HIS  28           HA       HIS  28   3.818  -5.152  13.291
  219    HD1  HIS  28           HD1      HIS  28   6.533  -4.341  13.679
  220    HD2  HIS  28           HD2      HIS  28   4.381  -0.733  13.999
  221    HE1  HIS  28           HE1      HIS  28   8.081  -2.511  12.852
  222    HB2  HIS  28           2HB      HIS  28   3.269  -2.813  15.164
  223    HB3  HIS  28           3HB      HIS  28   4.335  -4.177  15.494
  224    H    SER  29           H        SER  29   3.174  -6.709  14.882
  225    HA   SER  29           HA       SER  29   0.422  -7.186  15.284
  226    HG   SER  29           HG       SER  29   1.442  -9.561  14.761
  227    HB2  SER  29           2HB      SER  29   2.806  -8.219  16.838
  228    HB3  SER  29           3HB      SER  29   1.177  -8.916  16.854
  229    H    ALA  30           H        ALA  30  -0.534  -5.329  16.141
  230    HA   ALA  30           HA       ALA  30  -0.513  -5.367  19.082
  231    HB1  ALA  30           3HB      ALA  30   0.878  -3.430  18.397
  232    HB2  ALA  30           1HB      ALA  30  -0.486  -2.786  17.460
  233    HB3  ALA  30           2HB      ALA  30  -0.601  -2.924  19.224
  234    HA   PRO  31           HA       PRO  31  -4.852  -4.772  16.860
  235    HB2  PRO  31           2HB      PRO  31  -5.003  -7.784  17.139
  236    HB3  PRO  31           3HB      PRO  31  -5.915  -6.701  16.033
  237    HG2  PRO  31           2HG      PRO  31  -3.730  -8.080  15.160
  238    HG3  PRO  31           3HG      PRO  31  -4.035  -6.395  14.646
  239    HD2  PRO  31           2HD      PRO  31  -2.098  -7.428  16.701
  240    HD3  PRO  31           3HD      PRO  31  -1.948  -6.083  15.526
  241    H    ARG  32           H        ARG  32  -6.789  -4.871  18.142
  242    HA   ARG  32           HA       ARG  32  -7.867  -4.528  20.066
  243    HE   ARG  32           HE       ARG  32  -9.398  -7.682  24.531
  244    HB2  ARG  32           2HB      ARG  32  -7.926  -7.017  19.842
  245    HB3  ARG  32           3HB      ARG  32  -6.601  -7.145  20.979
  246    HG2  ARG  32           2HG      ARG  32  -8.871  -5.521  21.999
  247    HG3  ARG  32           3HG      ARG  32  -9.348  -7.153  21.540
  248    HD2  ARG  32           2HD      ARG  32  -7.756  -8.175  23.010
  249    HD3  ARG  32           3HD      ARG  32  -6.949  -6.651  23.351
  250   HH11  ARG  32          1HH2      ARG  32  -7.544  -4.701  23.922
  251   HH12  ARG  32          2HH2      ARG  32  -8.214  -3.853  25.276
  252   HH21  ARG  32          1HH1      ARG  32 -10.302  -6.535  26.305
  253   HH22  ARG  32          2HH1      ARG  32  -9.825  -4.917  26.645
  254    H    SER  33           H        SER  33  -4.795  -3.732  19.917
  255    HA   SER  33           HA       SER  33  -3.202  -2.854  21.173
  256    HG   SER  33           HG       SER  33  -5.473  -0.190  21.902
  257    HB2  SER  33           2HB      SER  33  -5.388  -2.119  23.153
  258    HB3  SER  33           3HB      SER  33  -3.803  -1.350  22.966
  259    H    GLY  34           H        GLY  34  -3.826  -5.723  21.491
  260    HA2  GLY  34           2HA      GLY  34  -2.308  -6.275  23.924
  261    HA3  GLY  34           1HA      GLY  34  -4.027  -6.667  24.047
  262    H    ALA  35           H        ALA  35  -2.994  -7.192  20.798
  263    HA   ALA  35           HA       ALA  35  -3.197  -9.974  20.870
  264    HB1  ALA  35           3HB      ALA  35  -3.307  -8.654  18.803
  265    HB2  ALA  35           1HB      ALA  35  -1.586  -8.218  18.965
  266    HB3  ALA  35           2HB      ALA  35  -2.057  -9.904  18.665
  267    HA   PRO  36           HA       PRO  36   0.618 -10.995  22.906
  268    HB2  PRO  36           2HB      PRO  36   0.754 -13.703  22.558
  269    HB3  PRO  36           3HB      PRO  36  -0.510 -12.919  23.553
  270    HG2  PRO  36           2HG      PRO  36  -0.715 -13.821  20.659
  271    HG3  PRO  36           3HG      PRO  36  -1.850 -14.159  22.006
  272    HD2  PRO  36           2HD      PRO  36  -2.271 -12.117  20.243
  273    HD3  PRO  36           3HD      PRO  36  -2.695 -11.961  21.974
  274    H    ALA  37           H        ALA  37   0.297 -11.643  19.472
  275    HA   ALA  37           HA       ALA  37   2.993 -12.519  18.957
  276    HB1  ALA  37           3HB      ALA  37   1.173 -12.928  17.364
  277    HB2  ALA  37           1HB      ALA  37   0.926 -11.181  17.151
  278    HB3  ALA  37           2HB      ALA  37   2.432 -11.942  16.601
  279    H    ALA  38           H        ALA  38   4.579 -11.218  17.711
  280    HA   ALA  38           HA       ALA  38   4.547  -8.296  18.100
  281    HB1  ALA  38           3HB      ALA  38   5.556  -9.216  20.175
  282    HB2  ALA  38           1HB      ALA  38   6.759 -10.088  19.194
  283    HB3  ALA  38           2HB      ALA  38   6.729  -8.308  19.206
  284    H    GLU  39           H        GLU  39   4.142  -9.775  15.752
  285    HA   GLU  39           HA       GLU  39   6.716  -9.839  14.299
  286    HB2  GLU  39           2HB      GLU  39   3.897 -10.726  13.528
  287    HB3  GLU  39           3HB      GLU  39   5.317 -10.827  12.481
  288    HG2  GLU  39           2HG      GLU  39   6.431 -12.300  14.169
  289    HG3  GLU  39           3HG      GLU  39   4.947 -12.294  15.125
  290    H    SER  40           H        SER  40   6.149  -9.002  11.861
  291    HA   SER  40           HA       SER  40   4.629  -6.506  11.893
  292    HG   SER  40           HG       SER  40   8.198  -5.766  12.706
  293    HB2  SER  40           2HB      SER  40   7.470  -6.553  10.874
  294    HB3  SER  40           3HB      SER  40   6.425  -5.146  11.055
  295    H    LYS  41           H        LYS  41   4.275  -5.723   9.693
  296    HA   LYS  41           HA       LYS  41   4.535  -7.590   7.440
  297    HB2  LYS  41           2HB      LYS  41   2.664  -8.498   8.714
  298    HB3  LYS  41           3HB      LYS  41   1.920  -6.918   8.869
  299    HG2  LYS  41           2HG      LYS  41   2.211  -7.741   6.035
  300    HG3  LYS  41           3HG      LYS  41   1.349  -8.931   7.003
  301    HD2  LYS  41           2HD      LYS  41  -0.236  -7.248   7.811
  302    HD3  LYS  41           3HD      LYS  41   0.647  -5.974   6.975
  303    HE2  LYS  41           2HE      LYS  41  -1.405  -6.579   5.803
  304    HE3  LYS  41           3HE      LYS  41   0.023  -6.857   4.799
  305    HZ1  LYS  41           3HZ      LYS  41  -0.329  -9.047   4.783
  306    HZ2  LYS  41           1HZ      LYS  41  -1.043  -9.125   6.305
  307    HZ3  LYS  41           2HZ      LYS  41  -1.896  -8.608   5.017
  308    H    GLU  42           H        GLU  42   3.417  -6.392   5.474
  309    HA   GLU  42           HA       GLU  42   3.319  -3.464   5.888
  310    HB2  GLU  42           2HB      GLU  42   4.793  -4.813   3.588
  311    HB3  GLU  42           3HB      GLU  42   4.492  -3.100   3.783
  312    HG2  GLU  42           2HG      GLU  42   6.727  -3.359   4.377
  313    HG3  GLU  42           3HG      GLU  42   5.883  -3.164   5.904
  314    H    ILE  43           H        ILE  43   1.973  -2.412   4.323
  315    HA   ILE  43           HA       ILE  43   0.269  -4.166   2.651
  316    HB   ILE  43           HB       ILE  43  -1.693  -2.792   3.298
  317   HG12  ILE  43          2HG1      ILE  43   0.031  -1.719   5.561
  318   HG13  ILE  43          3HG1      ILE  43  -0.570  -0.805   4.171
  319   HG21  ILE  43          1HG2      ILE  43  -0.470  -4.264   5.647
  320   HG22  ILE  43          2HG2      ILE  43  -2.199  -4.033   5.301
  321   HG23  ILE  43          3HG2      ILE  43  -1.229  -5.028   4.220
  322   HD11  ILE  43          3HD1      ILE  43  -2.911  -1.214   4.929
  323   HD12  ILE  43          1HD1      ILE  43  -2.279  -2.031   6.378
  324   HD13  ILE  43          2HD1      ILE  43  -1.932  -0.322   6.110
  325    H    VAL  44           H        VAL  44  -0.692  -3.163   0.911
  326    HA   VAL  44           HA       VAL  44   0.506  -0.588  -0.034
  327    HB   VAL  44           HB       VAL  44  -0.479  -3.065  -1.530
  328   HG11  VAL  44          1HG1      VAL  44   0.877  -0.625  -2.727
  329   HG12  VAL  44          2HG1      VAL  44   0.303  -2.066  -3.580
  330   HG13  VAL  44          3HG1      VAL  44  -0.865  -0.971  -2.841
  331   HG21  VAL  44          3HG2      VAL  44   2.365  -2.017  -1.266
  332   HG22  VAL  44          1HG2      VAL  44   1.719  -3.466  -0.466
  333   HG23  VAL  44          2HG2      VAL  44   1.838  -3.417  -2.225
  334    H    ARG  45           H        ARG  45  -1.030   1.002   0.105
  335    HA   ARG  45           HA       ARG  45  -3.897   0.386  -0.502
  336    HE   ARG  45           HE       ARG  45  -4.267  -1.418   0.506
  337    HB2  ARG  45           2HB      ARG  45  -2.761   2.316   1.584
  338    HB3  ARG  45           3HB      ARG  45  -4.434   2.300   1.066
  339    HG2  ARG  45           2HG      ARG  45  -3.023   0.121   2.654
  340    HG3  ARG  45           3HG      ARG  45  -4.212   1.281   3.219
  341    HD2  ARG  45           2HD      ARG  45  -5.616  -0.468   2.984
  342    HD3  ARG  45           3HD      ARG  45  -5.759   0.225   1.370
  343   HH11  ARG  45          1HH2      ARG  45  -5.405  -2.239   3.809
  344   HH12  ARG  45          2HH2      ARG  45  -4.594  -3.779   3.791
  345   HH21  ARG  45          1HH1      ARG  45  -3.127  -3.312   0.642
  346   HH22  ARG  45          2HH1      ARG  45  -3.370  -4.427   1.983
  347    H    GLY  46           H        GLY  46  -4.810   1.917  -1.980
  348    HA2  GLY  46           2HA      GLY  46  -3.837   4.563  -2.245
  349    HA3  GLY  46           1HA      GLY  46  -3.151   3.580  -3.549
  350    H    TYR  47           H        TYR  47  -5.300   5.793  -3.445
  351    HA   TYR  47           HA       TYR  47  -7.311   4.394  -5.071
  352    HD1  TYR  47           HD2      TYR  47  -6.784   4.782  -0.911
  353    HD2  TYR  47           HD1      TYR  47  -9.419   2.614  -3.542
  354    HE1  TYR  47           HE2      TYR  47  -6.655   2.796   0.592
  355    HE2  TYR  47           HE1      TYR  47  -9.258   0.616  -2.087
  356    HH   TYR  47           HH       TYR  47  -8.326  -0.303  -0.176
  357    HB2  TYR  47           2HB      TYR  47  -8.111   5.930  -2.567
  358    HB3  TYR  47           3HB      TYR  47  -9.184   5.079  -3.664
  359    H    LYS  48           H        LYS  48  -8.654   5.827  -6.242
  360    HA   LYS  48           HA       LYS  48  -7.536   8.261  -7.090
  361    HB2  LYS  48           2HB      LYS  48  -9.110   6.758  -8.292
  362    HB3  LYS  48           3HB      LYS  48 -10.436   7.332  -7.261
  363    HG2  LYS  48           2HG      LYS  48 -10.086   9.628  -8.154
  364    HG3  LYS  48           3HG      LYS  48  -8.757   9.036  -9.158
  365    HD2  LYS  48           2HD      LYS  48 -11.696   8.214  -9.378
  366    HD3  LYS  48           3HD      LYS  48 -10.829   9.324 -10.427
  367    HE2  LYS  48           2HE      LYS  48 -10.629   7.521 -11.758
  368    HE3  LYS  48           3HE      LYS  48  -9.194   7.235 -10.776
  369    HZ1  LYS  48           3HZ      LYS  48 -10.539   5.635  -9.452
  370    HZ2  LYS  48           1HZ      LYS  48 -11.851   5.959 -10.391
  371    HZ3  LYS  48           2HZ      LYS  48 -10.522   5.233 -11.012
  372    H    TRP  49           H        TRP  49  -9.849   7.697  -4.402
  373    HA   TRP  49           HA       TRP  49 -10.452  10.482  -4.112
  374    HD1  TRP  49           HD1      TRP  49 -12.400   6.613  -3.200
  375    HE1  TRP  49           HE1      TRP  49 -11.742   4.644  -1.724
  376    HE3  TRP  49           HE3      TRP  49  -8.896   8.936  -0.275
  377    HZ2  TRP  49           HZ2      TRP  49  -9.935   4.137   0.507
  378    HZ3  TRP  49           HZ3      TRP  49  -7.652   7.671   1.421
  379    HH2  TRP  49           HH2      TRP  49  -8.153   5.255   1.830
  380    HB2  TRP  49           2HB      TRP  49 -11.231   9.803  -1.815
  381    HB3  TRP  49           3HB      TRP  49 -12.029   9.107  -3.202
  382    H    ALA  50           H        ALA  50  -7.619   8.595  -3.048
  383    HA   ALA  50           HA       ALA  50  -6.767  10.761  -1.268
  384    HB1  ALA  50           3HB      ALA  50  -6.254   8.569  -0.534
  385    HB2  ALA  50           1HB      ALA  50  -5.407   8.178  -2.063
  386    HB3  ALA  50           2HB      ALA  50  -4.763   9.419  -0.953
  387    H    GLU  51           H        GLU  51  -6.889  12.412  -2.930
  388    HA   GLU  51           HA       GLU  51  -5.178  12.442  -5.224
  389    HB2  GLU  51           2HB      GLU  51  -6.468  14.603  -3.519
  390    HB3  GLU  51           3HB      GLU  51  -5.484  15.006  -4.923
  391    HG2  GLU  51           2HG      GLU  51  -7.877  13.132  -5.131
  392    HG3  GLU  51           3HG      GLU  51  -8.028  14.879  -5.230
  393    H    TYR  52           H        TYR  52  -4.400  12.678  -1.858
  394    HA   TYR  52           HA       TYR  52  -1.616  13.429  -2.464
  395    HD1  TYR  52           HD2      TYR  52  -4.415  15.874  -2.356
  396    HD2  TYR  52           HD1      TYR  52  -3.469  14.465   1.590
  397    HE1  TYR  52           HE2      TYR  52  -6.648  16.657  -1.555
  398    HE2  TYR  52           HE1      TYR  52  -5.674  15.236   2.419
  399    HH   TYR  52           HH       TYR  52  -7.695  16.263   1.867
  400    HB2  TYR  52           2HB      TYR  52  -1.760  14.617  -0.123
  401    HB3  TYR  52           3HB      TYR  52  -2.090  15.450  -1.627
  402    H    HIS  53           H        HIS  53  -0.136  12.620  -0.603
  403    HA   HIS  53           HA       HIS  53  -0.935   9.807  -0.328
  404    HD2  HIS  53           HD2      HIS  53   1.982  12.678  -1.601
  405    HE1  HIS  53           HE1      HIS  53   2.751   9.445  -4.222
  406    HE2  HIS  53           HE2      HIS  53   2.997  11.931  -3.901
  407    HB2  HIS  53           2HB      HIS  53   1.613  11.181   0.608
  408    HB3  HIS  53           3HB      HIS  53   1.341   9.466   0.402
  409    H    ALA  54           H        ALA  54  -0.359  12.697   1.679
  410    HA   ALA  54           HA       ALA  54  -0.667  11.560   4.225
  411    HB1  ALA  54           3HB      ALA  54  -0.122  13.946   3.831
  412    HB2  ALA  54           1HB      ALA  54  -1.780  14.231   3.258
  413    HB3  ALA  54           2HB      ALA  54  -1.492  13.769   4.945
  414    H    ASP  55           H        ASP  55  -3.218  11.933   1.754
  415    HA   ASP  55           HA       ASP  55  -5.409  11.933   3.607
  416    HB2  ASP  55           2HB      ASP  55  -5.478  12.559   1.089
  417    HB3  ASP  55           3HB      ASP  55  -5.519  10.848   0.773
  418    H    ILE  56           H        ILE  56  -3.885   9.323   1.652
  419    HA   ILE  56           HA       ILE  56  -5.474   7.247   2.865
  420    HB   ILE  56           HB       ILE  56  -3.300   5.869   2.025
  421   HG12  ILE  56          2HG1      ILE  56  -3.174   8.380   0.360
  422   HG13  ILE  56          3HG1      ILE  56  -1.895   7.424   1.124
  423   HG21  ILE  56          1HG2      ILE  56  -5.624   6.629   0.271
  424   HG22  ILE  56          2HG2      ILE  56  -4.628   5.157   0.183
  425   HG23  ILE  56          3HG2      ILE  56  -5.639   5.434   1.587
  426   HD11  ILE  56          3HD1      ILE  56  -2.387   5.632  -0.589
  427   HD12  ILE  56          1HD1      ILE  56  -3.564   6.733  -1.342
  428   HD13  ILE  56          2HD1      ILE  56  -1.848   7.177  -1.292
  429    H    TYR  57           H        TYR  57  -2.204   8.667   3.610
  430    HA   TYR  57           HA       TYR  57  -1.653   6.618   5.471
  431    HD1  TYR  57           HD2      TYR  57   0.142   5.905   6.487
  432    HD2  TYR  57           HD1      TYR  57   0.442  10.063   7.603
  433    HE1  TYR  57           HE2      TYR  57   1.266   5.250   8.578
  434    HE2  TYR  57           HE1      TYR  57   1.599   9.418   9.689
  435    HH   TYR  57           HH       TYR  57   2.415   7.649  10.988
  436    HB2  TYR  57           2HB      TYR  57   0.095   8.182   4.753
  437    HB3  TYR  57           3HB      TYR  57  -0.713   9.499   5.611
  438    H    ASP  58           H        ASP  58  -3.329   9.792   6.037
  439    HA   ASP  58           HA       ASP  58  -3.726   9.399   8.808
  440    HB2  ASP  58           2HB      ASP  58  -4.043  11.561   7.738
  441    HB3  ASP  58           3HB      ASP  58  -5.379  10.930   6.768
  442    H    LYS  59           H        LYS  59  -5.864   8.537   6.039
  443    HA   LYS  59           HA       LYS  59  -8.026   7.483   7.590
  444    HB2  LYS  59           2HB      LYS  59  -8.268   8.112   5.295
  445    HB3  LYS  59           3HB      LYS  59  -7.042   6.968   4.752
  446    HG2  LYS  59           2HG      LYS  59  -8.435   5.154   4.841
  447    HG3  LYS  59           3HG      LYS  59  -9.378   5.779   6.216
  448    HD2  LYS  59           2HD      LYS  59 -10.547   7.353   4.830
  449    HD3  LYS  59           3HD      LYS  59  -9.519   6.987   3.434
  450    HE2  LYS  59           2HE      LYS  59 -10.371   4.621   3.472
  451    HE3  LYS  59           3HE      LYS  59 -11.459   5.061   4.795
  452    HZ1  LYS  59           3HZ      LYS  59 -12.524   6.648   3.293
  453    HZ2  LYS  59           1HZ      LYS  59 -11.509   6.235   2.073
  454    HZ3  LYS  59           2HZ      LYS  59 -12.578   5.149   2.659
  455    H    VAL  60           H        VAL  60  -5.178   5.822   6.112
  456    HA   VAL  60           HA       VAL  60  -6.160   3.272   7.017
  457    HB   VAL  60           HB       VAL  60  -3.517   4.099   5.763
  458   HG11  VAL  60          1HG1      VAL  60  -4.718   1.319   6.206
  459   HG12  VAL  60          2HG1      VAL  60  -3.272   1.672   5.228
  460   HG13  VAL  60          3HG1      VAL  60  -3.251   1.955   6.966
  461   HG21  VAL  60          3HG2      VAL  60  -5.884   2.675   4.463
  462   HG22  VAL  60          1HG2      VAL  60  -5.679   4.427   4.382
  463   HG23  VAL  60          2HG2      VAL  60  -4.448   3.401   3.683
  464    H    SER  61           H        SER  61  -3.577   5.555   8.292
  465    HA   SER  61           HA       SER  61  -2.739   3.661  10.275
  466    HG   SER  61           HG       SER  61  -1.960   7.642  10.492
  467    HB2  SER  61           2HB      SER  61  -1.643   5.488  11.359
  468    HB3  SER  61           3HB      SER  61  -1.416   5.661   9.614
  469    H    GLY  62           H        GLY  62  -5.397   6.049  10.111
  470    HA2  GLY  62           2HA      GLY  62  -6.383   5.779  12.752
  471    HA3  GLY  62           1HA      GLY  62  -7.335   6.171  11.304
  472    H    ASP  63           H        ASP  63  -7.334   3.951   9.742
  473    HA   ASP  63           HA       ASP  63  -9.115   2.196  11.045
  474    HB2  ASP  63           2HB      ASP  63  -8.994   2.489   8.590
  475    HB3  ASP  63           3HB      ASP  63  -7.461   1.617   8.570
  476    H    MET  64           H        MET  64  -5.634   1.711  10.301
  477    HA   MET  64           HA       MET  64  -5.375  -0.881  11.404
  478    HB2  MET  64           2HB      MET  64  -3.393   1.428  11.250
  479    HB3  MET  64           3HB      MET  64  -2.967  -0.210  11.703
  480    HG2  MET  64           2HG      MET  64  -4.227   0.480   9.021
  481    HG3  MET  64           3HG      MET  64  -2.508   0.334   9.292
  482    HE1  MET  64           3HE      MET  64  -5.958  -1.475   9.388
  483    HE2  MET  64           1HE      MET  64  -5.311  -1.288   7.738
  484    HE3  MET  64           2HE      MET  64  -5.511  -2.911   8.439
  485    H    GLN  65           H        GLN  65  -4.922   2.333  13.050
  486    HA   GLN  65           HA       GLN  65  -4.366   1.117  15.565
  487    HB2  GLN  65           2HB      GLN  65  -5.189   3.885  14.656
  488    HB3  GLN  65           3HB      GLN  65  -4.941   3.510  16.363
  489    HG2  GLN  65           2HG      GLN  65  -2.620   2.857  15.962
  490    HG3  GLN  65           3HG      GLN  65  -2.806   3.039  14.218
  491   HE21  GLN  65          2HE2      GLN  65  -3.505   5.252  13.457
  492   HE22  GLN  65          1HE2      GLN  65  -2.811   6.655  14.265
  493    H    LYS  66           H        LYS  66  -7.456   1.987  13.991
  494    HA   LYS  66           HA       LYS  66  -9.049   1.530  16.363
  495    HB2  LYS  66           2HB      LYS  66  -9.672   1.573  13.392
  496    HB3  LYS  66           3HB      LYS  66 -10.889   1.142  14.601
  497    HG2  LYS  66           2HG      LYS  66 -10.576   3.273  15.763
  498    HG3  LYS  66           3HG      LYS  66  -9.326   3.768  14.630
  499    HD2  LYS  66           2HD      LYS  66 -12.230   3.204  13.892
  500    HD3  LYS  66           3HD      LYS  66 -11.559   4.803  14.232
  501    HE2  LYS  66           2HE      LYS  66  -9.978   4.558  12.313
  502    HE3  LYS  66           3HE      LYS  66 -10.679   2.975  11.955
  503    HZ1  LYS  66           3HZ      LYS  66 -12.802   4.077  11.545
  504    HZ2  LYS  66           1HZ      LYS  66 -12.158   5.541  11.879
  505    HZ3  LYS  66           2HZ      LYS  66 -11.651   4.703  10.578
  506    H    GLN  67           H        GLN  67  -7.837  -0.682  13.738
  507    HA   GLN  67           HA       GLN  67  -9.044  -3.016  14.963
  508    HB2  GLN  67           2HB      GLN  67  -6.606  -2.786  13.140
  509    HB3  GLN  67           3HB      GLN  67  -7.383  -4.287  13.640
  510    HG2  GLN  67           2HG      GLN  67  -9.521  -3.500  12.571
  511    HG3  GLN  67           3HG      GLN  67  -8.673  -2.072  11.986
  512   HE21  GLN  67          2HE2      GLN  67  -8.283  -2.314   9.743
  513   HE22  GLN  67          1HE2      GLN  67  -7.780  -3.833   9.035
  514    H    GLY  68           H        GLY  68  -6.106  -1.177  15.529
  515    HA2  GLY  68           2HA      GLY  68  -5.523  -1.093  17.961
  516    HA3  GLY  68           1HA      GLY  68  -5.373  -2.849  17.889
  517    H    CYS  69           H        CYS  69  -4.309  -2.351  14.980
  518    HA   CYS  69           HA       CYS  69  -1.624  -2.960  15.465
  519    HG   CYS  69           HG       CYS  69  -2.741  -4.233  11.940
  520    HB2  CYS  69           2HB      CYS  69  -3.115  -1.867  13.054
  521    HB3  CYS  69           3HB      CYS  69  -1.403  -2.289  12.993
  522    H    ASP  70           H        ASP  70   0.287  -1.845  15.105
  523    HA   ASP  70           HA       ASP  70   0.212   1.131  15.373
  524    HB2  ASP  70           2HB      ASP  70   1.205   0.063  17.323
  525    HB3  ASP  70           3HB      ASP  70   2.235  -0.942  16.304
  526    H    CYS  71           H        CYS  71   1.333   2.246  13.731
  527    HA   CYS  71           HA       CYS  71   2.546   0.626  11.561
  528    HG   CYS  71           HG       CYS  71  -1.136   0.552  10.133
  529    HB2  CYS  71           2HB      CYS  71   0.145   2.515  11.363
  530    HB3  CYS  71           3HB      CYS  71   1.009   1.864   9.975
  531    H    GLU  72           H        GLU  72   3.465   1.930   9.823
  532    HA   GLU  72           HA       GLU  72   3.894   4.814  10.208
  533    HB2  GLU  72           2HB      GLU  72   6.144   2.740  10.042
  534    HB3  GLU  72           3HB      GLU  72   6.378   4.441   9.683
  535    HG2  GLU  72           2HG      GLU  72   5.595   3.268  12.380
  536    HG3  GLU  72           3HG      GLU  72   7.177   3.862  11.911
  537    H    CYS  73           H        CYS  73   3.920   5.770   8.087
  538    HA   CYS  73           HA       CYS  73   3.730   3.988   5.763
  539    HG   CYS  73           HG       CYS  73   3.124   8.450   5.659
  540    HB2  CYS  73           2HB      CYS  73   3.829   6.209   4.488
  541    HB3  CYS  73           3HB      CYS  73   2.406   5.937   5.470
  542    H    LEU  74           H        LEU  74   5.492   3.223   4.689
  543    HA   LEU  74           HA       LEU  74   8.193   4.061   5.489
  544    HG   LEU  74           HG       LEU  74   6.742   1.121   5.470
  545    HB2  LEU  74           2HB      LEU  74   7.241   2.137   3.323
  546    HB3  LEU  74           3HB      LEU  74   8.909   2.423   3.787
  547   HD11  LEU  74          1HD1      LEU  74   9.434   0.065   4.505
  548   HD12  LEU  74          2HD1      LEU  74   8.171  -0.845   5.363
  549   HD13  LEU  74          3HD1      LEU  74   7.887  -0.269   3.714
  550   HD21  LEU  74          3HD2      LEU  74   9.568   1.916   6.299
  551   HD22  LEU  74          1HD2      LEU  74   8.036   2.438   7.044
  552   HD23  LEU  74          2HD2      LEU  74   8.554   0.761   7.185
  553    H    GLY  75           H        GLY  75   5.827   4.852   2.998
  554    HA2  GLY  75           2HA      GLY  75   6.880   7.311   2.426
  555    HA3  GLY  75           1HA      GLY  75   7.615   6.252   1.216
  556    H    GLY  76           H        GLY  76   6.235   7.851  -0.103
  557    HA2  GLY  76           2HA      GLY  76   3.571   6.610  -0.642
  558    HA3  GLY  76           1HA      GLY  76   3.831   8.353  -0.723
  559    H    GLY  77           H        GLY  77   2.865   7.076  -2.880
  560    HA2  GLY  77           2HA      GLY  77   4.760   7.487  -5.004
  561    HA3  GLY  77           1HA      GLY  77   4.484   5.772  -4.678
  562    H    ARG  78           H        ARG  78   3.528   5.850  -6.907
  563    HA   ARG  78           HA       ARG  78   0.662   6.577  -6.917
  564    HE   ARG  78           HE       ARG  78  -0.424   9.766 -10.932
  565    HB2  ARG  78           2HB      ARG  78   2.112   8.545  -7.497
  566    HB3  ARG  78           3HB      ARG  78   2.779   7.628  -8.857
  567    HG2  ARG  78           2HG      ARG  78   0.581   7.675  -9.968
  568    HG3  ARG  78           3HG      ARG  78  -0.143   8.450  -8.537
  569    HD2  ARG  78           2HD      ARG  78   1.408  10.352  -8.737
  570    HD3  ARG  78           3HD      ARG  78   2.163   9.620 -10.159
  571   HH11  ARG  78          1HH2      ARG  78   1.859  12.190  -9.639
  572   HH12  ARG  78          2HH2      ARG  78   1.130  13.504 -10.490
  573   HH21  ARG  78          1HH1      ARG  78  -1.394  11.549 -12.032
  574   HH22  ARG  78          2HH1      ARG  78  -0.743  13.132 -11.870
  575    H    ILE  79           H        ILE  79  -0.468   5.464  -8.623
  576    HA   ILE  79           HA       ILE  79   1.003   3.150  -9.782
  577    HB   ILE  79           HB       ILE  79  -1.563   3.189  -8.142
  578   HG12  ILE  79          2HG1      ILE  79   1.070   1.672  -7.860
  579   HG13  ILE  79          3HG1      ILE  79   0.553   3.034  -6.874
  580   HG21  ILE  79          1HG2      ILE  79  -0.485   0.855  -9.783
  581   HG22  ILE  79          2HG2      ILE  79  -1.865   0.789  -8.662
  582   HG23  ILE  79          3HG2      ILE  79  -1.989   1.754 -10.109
  583   HD11  ILE  79          3HD1      ILE  79  -1.370   1.642  -6.034
  584   HD12  ILE  79          1HD1      ILE  79  -0.649   0.244  -6.874
  585   HD13  ILE  79          2HD1      ILE  79   0.244   1.050  -5.586
  586    H    SER  80           H        SER  80   0.194   2.440 -11.781
  587    HA   SER  80           HA       SER  80  -2.148   3.729 -12.972
  588    HG   SER  80           HG       SER  80   1.447   4.782 -14.591
  589    HB2  SER  80           2HB      SER  80  -0.770   4.422 -14.985
  590    HB3  SER  80           3HB      SER  80  -0.516   5.380 -13.527
  591    H    HIS  81           H        HIS  81  -2.535   2.829 -15.182
  592    HA   HIS  81           HA       HIS  81  -1.264   0.552 -16.275
  593    HD1  HIS  81           HD1      HIS  81  -3.123   0.007 -12.371
  594    HD2  HIS  81           HD2      HIS  81  -5.748   0.602 -15.605
  595    HE1  HIS  81           HE1      HIS  81  -5.312   0.852 -11.372
  596    HB2  HIS  81           2HB      HIS  81  -3.399  -0.914 -16.025
  597    HB3  HIS  81           3HB      HIS  81  -2.255  -0.882 -14.700
  598    H    GLN  82           H        GLN  82  -2.495   0.008 -18.347
  599    HA   GLN  82           HA       GLN  82  -4.717   1.777 -19.075
  600    HB2  GLN  82           2HB      GLN  82  -2.206   2.816 -19.455
  601    HB3  GLN  82           3HB      GLN  82  -2.345   1.898 -20.943
  602    HG2  GLN  82           2HG      GLN  82  -4.322   4.012 -19.956
  603    HG3  GLN  82           3HG      GLN  82  -3.012   4.314 -21.090
  604   HE21  GLN  82          2HE2      GLN  82  -6.308   3.741 -20.993
  605   HE22  GLN  82          1HE2      GLN  82  -6.510   3.046 -22.579
  606    H    SER  83           H        SER  83  -5.651   1.047 -21.236
  607    HA   SER  83           HA       SER  83  -5.665  -1.703 -21.709
  608    HG   SER  83           HG       SER  83  -8.267   0.501 -22.928
  609    HB2  SER  83           2HB      SER  83  -6.107   0.451 -23.807
  610    HB3  SER  83           3HB      SER  83  -6.887  -1.136 -23.685
  611    H    GLN  84           H        GLN  84  -3.481   0.803 -22.996
  612    HA   GLN  84           HA       GLN  84  -2.113  -1.065 -24.812
  613    HB2  GLN  84           2HB      GLN  84  -1.698   1.871 -24.107
  614    HB3  GLN  84           3HB      GLN  84  -0.818   1.016 -25.374
  615    HG2  GLN  84           2HG      GLN  84  -2.770   0.727 -26.722
  616    HG3  GLN  84           3HG      GLN  84  -3.858   1.217 -25.424
  617   HE21  GLN  84          2HE2      GLN  84  -3.637   3.461 -24.570
  618   HE22  GLN  84          1HE2      GLN  84  -3.248   4.741 -25.714
  619    H    ASP  85           H        ASP  85  -1.950  -0.683 -21.515
  620    HA   ASP  85           HA       ASP  85   0.878  -1.415 -21.270
  621    HB2  ASP  85           2HB      ASP  85   0.967   1.052 -21.255
  622    HB3  ASP  85           3HB      ASP  85  -0.261   1.106 -19.987
  623    H    LYS  86           H        LYS  86  -0.672  -3.263 -20.940
  624    HA   LYS  86           HA       LYS  86  -2.571  -3.208 -18.833
  625    HB2  LYS  86           2HB      LYS  86  -1.332  -5.580 -20.294
  626    HB3  LYS  86           3HB      LYS  86  -2.744  -5.660 -19.230
  627    HG2  LYS  86           2HG      LYS  86  -3.948  -4.043 -20.696
  628    HG3  LYS  86           3HG      LYS  86  -2.559  -4.023 -21.799
  629    HD2  LYS  86           2HD      LYS  86  -2.823  -6.454 -22.193
  630    HD3  LYS  86           3HD      LYS  86  -4.229  -6.476 -21.101
  631    HE2  LYS  86           2HE      LYS  86  -5.390  -4.838 -22.560
  632    HE3  LYS  86           3HE      LYS  86  -3.990  -4.787 -23.635
  633    HZ1  LYS  86           3HZ      LYS  86  -4.365  -7.136 -24.129
  634    HZ2  LYS  86           1HZ      LYS  86  -5.661  -7.184 -23.132
  635    HZ3  LYS  86           2HZ      LYS  86  -5.697  -6.268 -24.478
  636    H    LYS  87           H        LYS  87   0.881  -3.957 -18.683
  637    HA   LYS  87           HA       LYS  87   0.739  -5.335 -16.140
  638    HB2  LYS  87           2HB      LYS  87   3.088  -4.838 -15.865
  639    HB3  LYS  87           3HB      LYS  87   2.799  -5.379 -17.522
  640    HG2  LYS  87           2HG      LYS  87   2.753  -2.872 -18.130
  641    HG3  LYS  87           3HG      LYS  87   3.376  -2.590 -16.481
  642    HD2  LYS  87           2HD      LYS  87   5.311  -4.042 -16.972
  643    HD3  LYS  87           3HD      LYS  87   4.722  -4.322 -18.613
  644    HE2  LYS  87           2HE      LYS  87   5.413  -1.576 -17.471
  645    HE3  LYS  87           3HE      LYS  87   6.545  -2.580 -18.392
  646    HZ1  LYS  87           3HZ      LYS  87   4.976  -2.455 -20.267
  647    HZ2  LYS  87           1HZ      LYS  87   4.010  -1.424 -19.414
  648    HZ3  LYS  87           2HZ      LYS  87   5.525  -0.987 -19.824
  649    H    ILE  88           H        ILE  88   0.621  -4.447 -14.075
  650    HA   ILE  88           HA       ILE  88  -0.350  -1.676 -13.864
  651    HB   ILE  88           HB       ILE  88   0.331  -3.791 -11.789
  652   HG12  ILE  88          2HG1      ILE  88  -2.372  -2.655 -12.618
  653   HG13  ILE  88          3HG1      ILE  88  -1.712  -4.170 -13.225
  654   HG21  ILE  88          1HG2      ILE  88  -0.863  -1.009 -11.375
  655   HG22  ILE  88          2HG2      ILE  88  -0.726  -2.254 -10.118
  656   HG23  ILE  88          3HG2      ILE  88   0.727  -1.556 -10.800
  657   HD11  ILE  88          3HD1      ILE  88  -1.626  -5.070 -10.899
  658   HD12  ILE  88          1HD1      ILE  88  -2.474  -3.606 -10.339
  659   HD13  ILE  88          2HD1      ILE  88  -3.257  -4.699 -11.485
  660    H    HIS  89           H        HIS  89   0.954   0.048 -12.915
  661    HA   HIS  89           HA       HIS  89   3.859  -0.549 -12.768
  662    HD1  HIS  89           HD1      HIS  89   5.777  -0.462 -14.698
  663    HD2  HIS  89           HD2      HIS  89   4.891   3.537 -13.684
  664    HE1  HIS  89           HE1      HIS  89   7.987   0.791 -14.714
  665    HB2  HIS  89           2HB      HIS  89   3.119   0.513 -15.000
  666    HB3  HIS  89           3HB      HIS  89   2.787   1.970 -14.057
  667    H    VAL  90           H        VAL  90   4.997   0.774 -11.331
  668    HA   VAL  90           HA       VAL  90   3.366   2.448  -9.500
  669    HB   VAL  90           HB       VAL  90   5.541   0.547  -8.565
  670   HG11  VAL  90          1HG1      VAL  90   3.284   1.972  -7.083
  671   HG12  VAL  90          2HG1      VAL  90   4.536   0.943  -6.356
  672   HG13  VAL  90          3HG1      VAL  90   4.975   2.484  -7.114
  673   HG21  VAL  90          3HG2      VAL  90   2.541  -0.004  -8.587
  674   HG22  VAL  90          1HG2      VAL  90   3.801  -0.933  -9.426
  675   HG23  VAL  90          2HG2      VAL  90   3.748  -0.928  -7.664
  676    H    TYR  91           H        TYR  91   4.410   4.319  -8.879
  677    HA   TYR  91           HA       TYR  91   7.190   4.886  -9.468
  678    HD1  TYR  91           HD1      TYR  91   3.443   4.690 -11.195
  679    HD2  TYR  91           HD2      TYR  91   5.673   8.320 -11.857
  680    HE1  TYR  91           HE1      TYR  91   1.387   5.809 -11.942
  681    HE2  TYR  91           HE2      TYR  91   3.611   9.453 -12.627
  682    HH   TYR  91           HH       TYR  91   0.468   7.754 -12.861
  683    HB2  TYR  91           2HB      TYR  91   6.830   6.444 -11.234
  684    HB3  TYR  91           3HB      TYR  91   6.164   4.923 -11.742
  685    H    GLY  92           H        GLY  92   6.828   7.763  -9.525
  686    HA2  GLY  92           2HA      GLY  92   5.828   9.539  -8.473
  687    HA3  GLY  92           1HA      GLY  92   4.801   8.453  -7.543
  688    H    TYR  93           H        TYR  93   5.421  10.273  -6.019
  689    HA   TYR  93           HA       TYR  93   7.523   9.584  -4.150
  690    HD1  TYR  93           HD2      TYR  93   7.143  13.801  -4.927
  691    HD2  TYR  93           HD1      TYR  93  10.419  11.229  -3.807
  692    HE1  TYR  93           HE2      TYR  93   8.069  15.608  -3.534
  693    HE2  TYR  93           HE1      TYR  93  11.351  13.028  -2.379
  694    HH   TYR  93           HH       TYR  93  11.100  15.223  -1.623
  695    HB2  TYR  93           2HB      TYR  93   8.969  10.671  -5.691
  696    HB3  TYR  93           3HB      TYR  93   7.741  11.796  -6.217
  697    H    SER  94           H        SER  94   7.177  10.825  -2.218
  698    HA   SER  94           HA       SER  94   4.794  12.609  -2.099
  699    HG   SER  94           HG       SER  94   4.119  12.646   0.450
  700    HB2  SER  94           2HB      SER  94   4.186  10.659  -0.846
  701    HB3  SER  94           3HB      SER  94   5.816  10.458  -0.215
  702    H    MET  95           H        MET  95   5.169  14.477  -0.738
  703    HA   MET  95           HA       MET  95   8.070  15.108  -0.456
  704    HB2  MET  95           2HB      MET  95   7.448  17.395  -0.137
  705    HB3  MET  95           3HB      MET  95   6.808  16.795  -1.665
  706    HG2  MET  95           2HG      MET  95   4.582  16.557  -0.675
  707    HG3  MET  95           3HG      MET  95   5.173  17.082   0.894
  708    HE1  MET  95           3HE      MET  95   5.739  19.520   1.575
  709    HE2  MET  95           1HE      MET  95   7.039  19.602   0.363
  710    HE3  MET  95           2HE      MET  95   5.827  20.893   0.452
  711    H    ALA  96           H        ALA  96   5.005  14.609   1.397
  712    HA   ALA  96           HA       ALA  96   6.262  15.465   3.879
  713    HB1  ALA  96           3HB      ALA  96   3.870  15.662   3.635
  714    HB2  ALA  96           1HB      ALA  96   3.711  13.920   3.316
  715    HB3  ALA  96           2HB      ALA  96   4.215  14.491   4.921
  716    H    TYR  97           H        TYR  97   6.029  12.368   2.159
  717    HA   TYR  97           HA       TYR  97   7.325  11.016   4.487
  718    HD1  TYR  97           HD2      TYR  97   5.469  10.292   6.268
  719    HD2  TYR  97           HD1      TYR  97   3.361  11.252   2.628
  720    HE1  TYR  97           HE2      TYR  97   3.627  11.280   7.597
  721    HE2  TYR  97           HE1      TYR  97   1.515  12.188   3.930
  722    HH   TYR  97           HH       TYR  97   0.721  12.751   6.076
  723    HB2  TYR  97           2HB      TYR  97   5.321   9.853   2.534
  724    HB3  TYR  97           3HB      TYR  97   5.947   9.102   3.993
  725    H    GLY  98           H        GLY  98   7.924  11.840   1.229
  726    HA2  GLY  98           2HA      GLY  98   9.799  11.341  -0.001
  727    HA3  GLY  98           1HA      GLY  98  10.286  10.138   1.193
  728    HA   PRO  99           HA       PRO  99   8.451   8.026  -2.612
  729    HB2  PRO  99           2HB      PRO  99  10.691   6.902  -3.692
  730    HB3  PRO  99           3HB      PRO  99  10.167   8.571  -4.069
  731    HG2  PRO  99           2HG      PRO  99  12.294   7.673  -2.113
  732    HG3  PRO  99           3HG      PRO  99  12.358   9.025  -3.284
  733    HD2  PRO  99           2HD      PRO  99  11.743   9.319  -0.596
  734    HD3  PRO  99           3HD      PRO  99  11.143  10.426  -1.857
  735    H    ALA 100           H        ALA 100   7.662   6.014  -2.227
  736    HA   ALA 100           HA       ALA 100   8.473   4.481   0.075
  737    HB1  ALA 100           3HB      ALA 100   6.148   4.535  -0.740
  738    HB2  ALA 100           1HB      ALA 100   6.673   3.867  -2.290
  739    HB3  ALA 100           2HB      ALA 100   6.774   2.878  -0.816
  740    H    GLN 101           H        GLN 101   8.933   2.139  -0.042
  741    HA   GLN 101           HA       GLN 101  11.092   1.415  -1.893
  742    HB2  GLN 101           2HB      GLN 101   9.761   0.072   0.486
  743    HB3  GLN 101           3HB      GLN 101  10.909  -0.782  -0.567
  744    HG2  GLN 101           2HG      GLN 101  12.640   0.840  -0.113
  745    HG3  GLN 101           3HG      GLN 101  11.537   1.790   0.908
  746   HE21  GLN 101          2HE2      GLN 101  13.308  -1.329   0.659
  747   HE22  GLN 101          1HE2      GLN 101  13.237  -1.697   2.362
  748    H    HIS 102           H        HIS 102   9.632   1.776  -3.747
  749    HA   HIS 102           HA       HIS 102   7.328   0.407  -4.321
  750    HD1  HIS 102           HD1      HIS 102   9.582   4.030  -5.963
  751    HD2  HIS 102           HD2      HIS 102   5.978   2.143  -4.866
  752    HE1  HIS 102           HE1      HIS 102   8.046   5.845  -5.099
  753    HB2  HIS 102           2HB      HIS 102   9.551   1.324  -6.171
  754    HB3  HIS 102           3HB      HIS 102   7.940   0.835  -6.723
  755    H    ALA 103           H        ALA 103  10.471  -1.054  -4.255
  756    HA   ALA 103           HA       ALA 103  10.020  -3.335  -5.902
  757    HB1  ALA 103           3HB      ALA 103  12.242  -2.678  -5.050
  758    HB2  ALA 103           1HB      ALA 103  11.710  -2.947  -3.375
  759    HB3  ALA 103           2HB      ALA 103  11.843  -4.318  -4.502
  760    H    ILE 104           H        ILE 104   9.152  -2.624  -2.481
  761    HA   ILE 104           HA       ILE 104   8.318  -5.303  -1.812
  762    HB   ILE 104           HB       ILE 104   7.457  -2.615  -0.647
  763   HG12  ILE 104          2HG1      ILE 104   9.716  -4.443   0.293
  764   HG13  ILE 104          3HG1      ILE 104   9.935  -2.923  -0.571
  765   HG21  ILE 104          1HG2      ILE 104   7.359  -5.405   0.591
  766   HG22  ILE 104          2HG2      ILE 104   6.838  -3.893   1.370
  767   HG23  ILE 104          3HG2      ILE 104   5.962  -4.497  -0.025
  768   HD11  ILE 104          3HD1      ILE 104   8.689  -1.756   1.305
  769   HD12  ILE 104          1HD1      ILE 104   8.859  -3.264   2.236
  770   HD13  ILE 104          2HD1      ILE 104  10.300  -2.390   1.683
  771    H    SER 105           H        SER 105   6.683  -2.315  -2.991
  772    HA   SER 105           HA       SER 105   4.079  -3.222  -2.990
  773    HG   SER 105           HG       SER 105   4.960   0.185  -3.176
  774    HB2  SER 105           2HB      SER 105   5.029  -1.366  -5.168
  775    HB3  SER 105           3HB      SER 105   3.609  -1.249  -4.111
  776    H    THR 106           H        THR 106   6.492  -3.376  -5.762
  777    HA   THR 106           HA       THR 106   4.523  -4.484  -7.477
  778    HB   THR 106           HB       THR 106   6.519  -5.119  -8.897
  779    HG1  THR 106           1HG      THR 106   8.490  -4.754  -8.157
  780   HG21  THR 106          3HG2      THR 106   5.218  -2.914  -8.861
  781   HG22  THR 106          1HG2      THR 106   6.549  -2.237  -7.915
  782   HG23  THR 106          2HG2      THR 106   6.846  -2.860  -9.558
  783    H    GLU 107           H        GLU 107   6.999  -6.178  -5.424
  784    HA   GLU 107           HA       GLU 107   6.311  -8.734  -6.436
  785    HB2  GLU 107           2HB      GLU 107   7.354  -7.929  -3.692
  786    HB3  GLU 107           3HB      GLU 107   7.234  -9.596  -4.258
  787    HG2  GLU 107           2HG      GLU 107   8.936  -7.409  -5.531
  788    HG3  GLU 107           3HG      GLU 107   9.518  -8.720  -4.516
  789    H    LYS 108           H        LYS 108   4.803  -6.838  -3.781
  790    HA   LYS 108           HA       LYS 108   2.937  -8.913  -3.043
  791    HB2  LYS 108           2HB      LYS 108   2.916  -5.883  -2.686
  792    HB3  LYS 108           3HB      LYS 108   1.670  -6.963  -2.047
  793    HG2  LYS 108           2HG      LYS 108   3.257  -8.164  -0.682
  794    HG3  LYS 108           3HG      LYS 108   4.604  -7.212  -1.319
  795    HD2  LYS 108           2HD      LYS 108   3.730  -5.169  -0.366
  796    HD3  LYS 108           3HD      LYS 108   2.226  -5.951   0.141
  797    HE2  LYS 108           2HE      LYS 108   4.890  -7.032   1.094
  798    HE3  LYS 108           3HE      LYS 108   4.221  -5.587   1.858
  799    HZ1  LYS 108           3HZ      LYS 108   2.446  -6.763   2.710
  800    HZ2  LYS 108           1HZ      LYS 108   2.485  -7.940   1.596
  801    HZ3  LYS 108           2HZ      LYS 108   3.615  -7.908   2.798
  802    H    ILE 109           H        ILE 109   2.649  -6.107  -5.311
  803    HA   ILE 109           HA       ILE 109  -0.091  -6.636  -5.916
  804    HB   ILE 109           HB       ILE 109   2.024  -5.101  -7.481
  805   HG12  ILE 109          2HG1      ILE 109  -0.253  -3.935  -5.802
  806   HG13  ILE 109          3HG1      ILE 109   1.289  -4.296  -5.079
  807   HG21  ILE 109          1HG2      ILE 109  -1.020  -4.841  -7.753
  808   HG22  ILE 109          2HG2      ILE 109   0.227  -4.066  -8.744
  809   HG23  ILE 109          3HG2      ILE 109  -0.053  -5.796  -8.874
  810   HD11  ILE 109          3HD1      ILE 109   2.422  -2.812  -6.761
  811   HD12  ILE 109          1HD1      ILE 109   0.818  -2.346  -7.373
  812   HD13  ILE 109          2HD1      ILE 109   1.277  -1.965  -5.709
  813    H    LYS 110           H        LYS 110   2.973  -7.807  -7.490
  814    HA   LYS 110           HA       LYS 110   1.707  -9.252  -9.603
  815    HB2  LYS 110           2HB      LYS 110   4.222  -9.914  -8.016
  816    HB3  LYS 110           3HB      LYS 110   3.721 -10.767  -9.477
  817    HG2  LYS 110           2HG      LYS 110   4.114  -8.890 -10.885
  818    HG3  LYS 110           3HG      LYS 110   4.309  -7.796  -9.511
  819    HD2  LYS 110           2HD      LYS 110   6.270  -9.175  -8.747
  820    HD3  LYS 110           3HD      LYS 110   6.141 -10.119 -10.243
  821    HE2  LYS 110           2HE      LYS 110   6.586  -8.079 -11.571
  822    HE3  LYS 110           3HE      LYS 110   6.576  -7.102 -10.098
  823    HZ1  LYS 110           3HZ      LYS 110   8.491  -8.431  -9.314
  824    HZ2  LYS 110           1HZ      LYS 110   8.550  -9.205 -10.757
  825    HZ3  LYS 110           2HZ      LYS 110   8.828  -7.598 -10.696
  826    H    ALA 111           H        ALA 111   2.446 -10.226  -6.197
  827    HA   ALA 111           HA       ALA 111   1.498 -12.874  -6.466
  828    HB1  ALA 111           3HB      ALA 111   2.890 -12.088  -4.577
  829    HB2  ALA 111           1HB      ALA 111   1.521 -11.131  -3.962
  830    HB3  ALA 111           2HB      ALA 111   1.414 -12.898  -4.021
  831    H    LYS 112           H        LYS 112  -0.311  -9.852  -5.618
  832    HA   LYS 112           HA       LYS 112  -2.778 -11.302  -5.173
  833    HB2  LYS 112           2HB      LYS 112  -2.383  -9.136  -4.151
  834    HB3  LYS 112           3HB      LYS 112  -2.386  -8.342  -5.739
  835    HG2  LYS 112           2HG      LYS 112  -4.682  -8.724  -6.073
  836    HG3  LYS 112           3HG      LYS 112  -4.727 -10.104  -4.962
  837    HD2  LYS 112           2HD      LYS 112  -4.481  -8.618  -3.050
  838    HD3  LYS 112           3HD      LYS 112  -4.516  -7.201  -4.143
  839    HE2  LYS 112           2HE      LYS 112  -6.748  -7.619  -4.822
  840    HE3  LYS 112           3HE      LYS 112  -6.745  -9.259  -4.162
  841    HZ1  LYS 112           3HZ      LYS 112  -6.826  -8.415  -1.977
  842    HZ2  LYS 112           1HZ      LYS 112  -6.497  -6.882  -2.419
  843    HZ3  LYS 112           2HZ      LYS 112  -7.948  -7.565  -2.799
  844    H    TYR 113           H        TYR 113  -1.276  -9.870  -8.079
  845    HA   TYR 113           HA       TYR 113  -3.667 -10.693  -9.668
  846    HD1  TYR 113           HD2      TYR 113  -5.583  -8.897  -9.873
  847    HD2  TYR 113           HD1      TYR 113  -2.178  -6.830  -8.231
  848    HE1  TYR 113           HE2      TYR 113  -7.091  -7.571  -8.422
  849    HE2  TYR 113           HE1      TYR 113  -3.671  -5.476  -6.796
  850    HH   TYR 113           HH       TYR 113  -5.878  -5.055  -6.159
  851    HB2  TYR 113           2HB      TYR 113  -1.861  -8.288 -10.058
  852    HB3  TYR 113           3HB      TYR 113  -3.236  -8.730 -11.057
  853    HA   PRO 114           HA       PRO 114   0.228 -12.763 -11.247
  854    HB2  PRO 114           2HB      PRO 114  -0.556 -15.387 -11.233
  855    HB3  PRO 114           3HB      PRO 114   0.073 -14.544  -9.784
  856    HG2  PRO 114           2HG      PRO 114  -2.829 -14.986 -10.563
  857    HG3  PRO 114           3HG      PRO 114  -2.046 -15.318  -8.983
  858    HD2  PRO 114           2HD      PRO 114  -3.420 -13.014  -9.436
  859    HD3  PRO 114           3HD      PRO 114  -1.922 -13.028  -8.456
  860    H    ASP 115           H        ASP 115  -3.117 -12.680 -12.240
  861    HA   ASP 115           HA       ASP 115  -2.782 -13.792 -14.888
  862    HB2  ASP 115           2HB      ASP 115  -4.958 -13.588 -13.685
  863    HB3  ASP 115           3HB      ASP 115  -4.848 -11.831 -13.817
  864    H    TYR 116           H        TYR 116  -1.493 -11.016 -13.477
  865    HA   TYR 116           HA       TYR 116  -1.080  -9.624 -16.067
  866    HD1  TYR 116           HD2      TYR 116  -2.670  -7.104 -16.686
  867    HD2  TYR 116           HD1      TYR 116  -4.026  -9.286 -13.219
  868    HE1  TYR 116           HE2      TYR 116  -5.013  -6.824 -17.433
  869    HE2  TYR 116           HE1      TYR 116  -6.372  -9.007 -13.950
  870    HH   TYR 116           HH       TYR 116  -7.802  -8.130 -15.571
  871    HB2  TYR 116           2HB      TYR 116  -1.715  -8.382 -13.353
  872    HB3  TYR 116           3HB      TYR 116  -1.202  -7.486 -14.769
  873    H    GLU 117           H        GLU 117   0.710  -7.752 -15.146
  874    HA   GLU 117           HA       GLU 117   2.763  -9.061 -13.523
  875    HB2  GLU 117           2HB      GLU 117   3.196  -9.453 -16.061
  876    HB3  GLU 117           3HB      GLU 117   3.530  -7.713 -16.140
  877    HG2  GLU 117           2HG      GLU 117   5.365  -7.972 -14.521
  878    HG3  GLU 117           3HG      GLU 117   4.903  -9.639 -14.194
  879    H    VAL 118           H        VAL 118   4.452  -7.241 -12.994
  880    HA   VAL 118           HA       VAL 118   3.233  -4.598 -13.008
  881    HB   VAL 118           HB       VAL 118   4.252  -5.702 -10.384
  882   HG11  VAL 118          1HG1      VAL 118   2.334  -3.434 -11.042
  883   HG12  VAL 118          2HG1      VAL 118   2.943  -3.852  -9.430
  884   HG13  VAL 118          3HG1      VAL 118   4.035  -3.236 -10.687
  885   HG21  VAL 118          3HG2      VAL 118   1.316  -5.753 -11.200
  886   HG22  VAL 118          1HG2      VAL 118   2.333  -7.182 -10.950
  887   HG23  VAL 118          2HG2      VAL 118   2.009  -6.124  -9.600
  888    H    THR 119           H        THR 119   4.833  -2.979 -12.974
  889    HA   THR 119           HA       THR 119   7.620  -3.762 -12.346
  890    HB   THR 119           HB       THR 119   8.343  -2.357 -14.321
  891    HG1  THR 119           1HG      THR 119   6.873  -2.077 -15.968
  892   HG21  THR 119          3HG2      THR 119   8.430  -4.814 -14.356
  893   HG22  THR 119          1HG2      THR 119   6.780  -4.880 -15.021
  894   HG23  THR 119          2HG2      THR 119   8.097  -4.141 -15.962
  895    H    TRP 120           H        TRP 120   8.974  -1.619 -12.231
  896    HA   TRP 120           HA       TRP 120   7.349   0.690 -11.571
  897    HD1  TRP 120           HD1      TRP 120   9.159  -2.620  -9.255
  898    HE1  TRP 120           HE1      TRP 120  11.420  -2.879  -8.117
  899    HE3  TRP 120           HE3      TRP 120  10.397   2.347  -8.810
  900    HZ2  TRP 120           HZ2      TRP 120  13.480  -1.150  -7.032
  901    HZ3  TRP 120           HZ3      TRP 120  12.503   2.989  -7.674
  902    HH2  TRP 120           HH2      TRP 120  14.045   1.265  -6.785
  903    HB2  TRP 120           2HB      TRP 120   8.218   1.091  -9.377
  904    HB3  TRP 120           3HB      TRP 120   7.458  -0.480  -9.391
  905    H    ALA 121           H        ALA 121   8.516   2.624 -11.461
  906    HA   ALA 121           HA       ALA 121  11.387   2.750 -11.898
  907    HB1  ALA 121           3HB      ALA 121  10.512   2.487 -14.250
  908    HB2  ALA 121           1HB      ALA 121   9.412   3.850 -13.978
  909    HB3  ALA 121           2HB      ALA 121  11.169   4.117 -13.964
  910    H    ASN 122           H        ASN 122  11.981   4.650 -10.715
  911    HA   ASN 122           HA       ASN 122   9.748   5.788  -9.272
  912    HB2  ASN 122           2HB      ASN 122  12.114   5.052  -8.375
  913    HB3  ASN 122           3HB      ASN 122  12.553   6.722  -8.719
  914   HD21  ASN 122          2HD2      ASN 122  10.672   8.330  -7.938
  915   HD22  ASN 122          1HD2      ASN 122   9.797   7.917  -6.478
  916    H    ASP 123           H        ASP 123   9.591   6.646 -11.925
  917    HA   ASP 123           HA       ASP 123  10.515   9.436 -12.143
  918    HB2  ASP 123           2HB      ASP 123  10.103   7.656 -14.057
  919    HB3  ASP 123           3HB      ASP 123   8.423   8.170 -13.915
  920    H    GLY 124           H        GLY 124   8.398  10.892 -12.946
  921    HA2  GLY 124           2HA      GLY 124   6.478  11.970 -12.367
  922    HA3  GLY 124           1HA      GLY 124   5.930  10.474 -11.622
  923    H    TYR 125           H        TYR 125   4.860  12.028 -10.172
  924    HA   TYR 125           HA       TYR 125   6.415  12.670  -7.767
  925    HD1  TYR 125           HD2      TYR 125   3.710  15.436  -7.095
  926    HD2  TYR 125           HD1      TYR 125   7.994  15.525  -7.651
  927    HE1  TYR 125           HE2      TYR 125   3.931  16.955  -5.154
  928    HE2  TYR 125           HE1      TYR 125   8.216  17.075  -5.742
  929    HH   TYR 125           HH       TYR 125   7.098  18.288  -4.095
  930    HB2  TYR 125           2HB      TYR 125   6.595  14.640  -9.342
  931    HB3  TYR 125           3HB      TYR 125   4.846  14.784  -9.301
  Start of MODEL   12
    1    HA   MET   1           HA       MET   1 -14.377  -8.425  22.069
    2    H1   MET   1           H1       MET   1 -15.841 -10.935  22.362
    3    H2   MET   1           H2       MET   1 -16.300  -9.573  21.570
    4    H3   MET   1           H3       MET   1 -16.271  -9.588  23.219
    5    HB2  MET   1           2HB      MET   1 -13.821 -10.627  24.113
    6    HB3  MET   1           3HB      MET   1 -12.623  -9.459  23.565
    7    HG2  MET   1           2HG      MET   1 -13.440  -8.592  25.583
    8    HG3  MET   1           3HG      MET   1 -14.104  -7.593  24.304
    9    HE1  MET   1           3HE      MET   1 -15.189 -11.067  26.036
   10    HE2  MET   1           1HE      MET   1 -14.753  -9.918  27.322
   11    HE3  MET   1           2HE      MET   1 -16.440 -10.434  27.125
   12    H    ALA   2           H        ALA   2 -12.583  -8.637  20.692
   13    HA   ALA   2           HA       ALA   2 -11.610 -11.244  19.858
   14    HB1  ALA   2           3HB      ALA   2 -13.509 -10.929  18.277
   15    HB2  ALA   2           1HB      ALA   2 -12.875  -9.326  17.834
   16    HB3  ALA   2           2HB      ALA   2 -11.955 -10.793  17.440
   17    H    VAL   3           H        VAL   3  -9.676 -10.885  18.396
   18    HA   VAL   3           HA       VAL   3  -8.413  -8.227  18.589
   19    HB   VAL   3           HB       VAL   3  -7.047 -10.809  19.498
   20   HG11  VAL   3          1HG1      VAL   3  -6.137  -7.900  19.580
   21   HG12  VAL   3          2HG1      VAL   3  -5.252  -9.273  20.276
   22   HG13  VAL   3          3HG1      VAL   3  -5.483  -9.180  18.534
   23   HG21  VAL   3          3HG2      VAL   3  -8.081  -8.507  21.212
   24   HG22  VAL   3          1HG2      VAL   3  -8.620 -10.201  21.263
   25   HG23  VAL   3          2HG2      VAL   3  -6.990  -9.789  21.779
   26    H    ALA   4           H        ALA   4  -7.171  -7.845  16.721
   27    HA   ALA   4           HA       ALA   4  -7.554  -9.698  14.488
   28    HB1  ALA   4           3HB      ALA   4  -7.782  -7.232  14.231
   29    HB2  ALA   4           1HB      ALA   4  -6.059  -7.042  14.626
   30    HB3  ALA   4           2HB      ALA   4  -6.549  -7.909  13.161
   31    H    ASP   5           H        ASP   5  -5.344  -9.652  13.004
   32    HA   ASP   5           HA       ASP   5  -2.876 -10.035  14.465
   33    HB2  ASP   5           2HB      ASP   5  -3.822 -12.321  14.649
   34    HB3  ASP   5           3HB      ASP   5  -4.125 -12.350  12.911
   35    H    LEU   6           H        LEU   6  -1.083  -9.904  12.874
   36    HA   LEU   6           HA       LEU   6  -1.614  -8.099  10.799
   37    HG   LEU   6           HG       LEU   6   0.642  -8.485  13.113
   38    HB2  LEU   6           2HB      LEU   6   0.777  -9.950  11.158
   39    HB3  LEU   6           3HB      LEU   6   0.700  -8.570  10.077
   40   HD11  LEU   6          1HD1      LEU   6   2.671  -7.373  11.134
   41   HD12  LEU   6          2HD1      LEU   6   2.791  -7.374  12.897
   42   HD13  LEU   6          3HD1      LEU   6   2.853  -8.905  12.018
   43   HD21  LEU   6          3HD2      LEU   6   0.378  -6.198  11.117
   44   HD22  LEU   6          1HD2      LEU   6  -0.791  -6.681  12.372
   45   HD23  LEU   6          2HD2      LEU   6   0.756  -5.989  12.840
   46    H    ALA   7           H        ALA   7  -1.572 -11.671  10.675
   47    HA   ALA   7           HA       ALA   7  -1.408 -11.851   7.838
   48    HB1  ALA   7           3HB      ALA   7  -0.901 -13.728   9.369
   49    HB2  ALA   7           1HB      ALA   7  -2.615 -13.796   9.848
   50    HB3  ALA   7           2HB      ALA   7  -2.142 -14.170   8.180
   51    H    LEU   8           H        LEU   8  -4.058 -11.011   9.991
   52    HA   LEU   8           HA       LEU   8  -6.158 -11.846   8.101
   53    HG   LEU   8           HG       LEU   8  -5.564 -12.707  11.079
   54    HB2  LEU   8           2HB      LEU   8  -6.313 -10.341  10.746
   55    HB3  LEU   8           3HB      LEU   8  -7.689 -10.921   9.819
   56   HD11  LEU   8          1HD1      LEU   8  -8.447 -12.166  11.905
   57   HD12  LEU   8          2HD1      LEU   8  -7.336 -13.326  12.668
   58   HD13  LEU   8          3HD1      LEU   8  -6.992 -11.595  12.749
   59   HD21  LEU   8          3HD2      LEU   8  -8.159 -13.422   9.643
   60   HD22  LEU   8          1HD2      LEU   8  -6.507 -13.805   9.105
   61   HD23  LEU   8          2HD2      LEU   8  -7.148 -14.558  10.564
   62    H    ILE   9           H        ILE   9  -4.226  -9.002   8.668
   63    HA   ILE   9           HA       ILE   9  -6.131  -7.024   7.898
   64    HB   ILE   9           HB       ILE   9  -3.121  -6.935   7.492
   65   HG12  ILE   9          2HG1      ILE   9  -4.711  -5.991   9.932
   66   HG13  ILE   9          3HG1      ILE   9  -3.748  -7.469   9.892
   67   HG21  ILE   9          1HG2      ILE   9  -5.177  -4.711   7.807
   68   HG22  ILE   9          2HG2      ILE   9  -3.429  -4.480   7.607
   69   HG23  ILE   9          3HG2      ILE   9  -4.362  -5.169   6.297
   70   HD11  ILE   9          3HD1      ILE   9  -1.696  -6.146   9.466
   71   HD12  ILE   9          1HD1      ILE   9  -2.642  -4.656   9.656
   72   HD13  ILE   9          2HD1      ILE   9  -2.493  -5.772  11.012
   73    HA   PRO  10           HA       PRO  10  -6.366  -8.036   3.446
   74    HB2  PRO  10           2HB      PRO  10  -6.910  -5.067   3.353
   75    HB3  PRO  10           3HB      PRO  10  -7.729  -6.387   2.464
   76    HG2  PRO  10           2HG      PRO  10  -8.884  -5.299   4.661
   77    HG3  PRO  10           3HG      PRO  10  -8.890  -7.080   4.442
   78    HD2  PRO  10           2HD      PRO  10  -7.062  -5.406   6.176
   79    HD3  PRO  10           3HD      PRO  10  -7.866  -6.962   6.543
   80    H    ASP  11           H        ASP  11  -4.458  -8.354   2.449
   81    HA   ASP  11           HA       ASP  11  -2.138  -6.927   3.192
   82    HB2  ASP  11           2HB      ASP  11  -2.412  -9.356   2.444
   83    HB3  ASP  11           3HB      ASP  11  -2.406  -8.757   0.781
   84    H    VAL  12           H        VAL  12  -4.135  -6.761   0.245
   85    HA   VAL  12           HA       VAL  12  -2.919  -4.172  -0.444
   86    HB   VAL  12           HB       VAL  12  -3.389  -6.399  -2.459
   87   HG11  VAL  12          1HG1      VAL  12  -2.160  -3.640  -2.847
   88   HG12  VAL  12          2HG1      VAL  12  -2.294  -4.912  -4.084
   89   HG13  VAL  12          3HG1      VAL  12  -3.749  -4.175  -3.429
   90   HG21  VAL  12          3HG2      VAL  12  -0.745  -5.388  -1.378
   91   HG22  VAL  12          1HG2      VAL  12  -1.399  -7.032  -1.281
   92   HG23  VAL  12          2HG2      VAL  12  -0.925  -6.377  -2.845
   93    H    ASP  13           H        ASP  13  -4.538  -2.766  -1.104
   94    HA   ASP  13           HA       ASP  13  -6.987  -3.770  -2.308
   95    HB2  ASP  13           2HB      ASP  13  -7.768  -3.905  -0.031
   96    HB3  ASP  13           3HB      ASP  13  -7.098  -2.320   0.358
   97    H    ILE  14           H        ILE  14  -7.001  -2.523  -4.067
   98    HA   ILE  14           HA       ILE  14  -6.267   0.327  -3.914
   99    HB   ILE  14           HB       ILE  14  -4.794   0.043  -5.899
  100   HG12  ILE  14          2HG1      ILE  14  -4.844  -2.948  -5.272
  101   HG13  ILE  14          3HG1      ILE  14  -5.668  -2.206  -6.641
  102   HG21  ILE  14          1HG2      ILE  14  -3.788  -1.507  -3.479
  103   HG22  ILE  14          2HG2      ILE  14  -2.827  -0.581  -4.651
  104   HG23  ILE  14          3HG2      ILE  14  -3.934   0.258  -3.571
  105   HD11  ILE  14          3HD1      ILE  14  -3.462  -1.370  -7.488
  106   HD12  ILE  14          1HD1      ILE  14  -2.659  -2.271  -6.177
  107   HD13  ILE  14          2HD1      ILE  14  -3.586  -3.139  -7.408
  108    H    ASP  15           H        ASP  15  -8.818  -0.773  -4.068
  109    HA   ASP  15           HA       ASP  15  -9.849  -1.113  -6.692
  110    HB2  ASP  15           2HB      ASP  15 -11.040  -1.949  -4.779
  111    HB3  ASP  15           3HB      ASP  15 -11.177  -0.330  -4.081
  112    H    SER  16           H        SER  16  -9.129   0.503  -8.058
  113    HA   SER  16           HA       SER  16 -10.806   2.811  -8.353
  114    HG   SER  16           HG       SER  16  -9.932   3.320  -6.164
  115    HB2  SER  16           2HB      SER  16  -7.893   3.111  -7.505
  116    HB3  SER  16           3HB      SER  16  -8.718   4.363  -8.465
  117    H    ASP  17           H        ASP  17  -9.693   4.072 -10.397
  118    HA   ASP  17           HA       ASP  17  -8.527   2.154 -12.318
  119    HB2  ASP  17           2HB      ASP  17 -10.949   1.913 -12.606
  120    HB3  ASP  17           3HB      ASP  17 -11.142   3.668 -12.688
  121    H    GLY  18           H        GLY  18  -7.731   3.336 -14.234
  122    HA2  GLY  18           2HA      GLY  18  -6.405   5.000 -15.142
  123    HA3  GLY  18           1HA      GLY  18  -7.261   6.193 -14.151
  124    H    VAL  19           H        VAL  19  -5.003   7.075 -13.969
  125    HA   VAL  19           HA       VAL  19  -3.151   5.744 -12.145
  126    HB   VAL  19           HB       VAL  19  -3.329   8.630 -13.137
  127   HG11  VAL  19          1HG1      VAL  19  -1.014   7.185 -11.761
  128   HG12  VAL  19          2HG1      VAL  19  -0.966   8.814 -12.470
  129   HG13  VAL  19          3HG1      VAL  19  -1.979   8.509 -11.063
  130   HG21  VAL  19          3HG2      VAL  19  -1.798   6.179 -14.074
  131   HG22  VAL  19          1HG2      VAL  19  -2.950   7.155 -15.009
  132   HG23  VAL  19          2HG2      VAL  19  -1.377   7.837 -14.588
  133    H    PHE  20           H        PHE  20  -2.984   6.080  -9.937
  134    HA   PHE  20           HA       PHE  20  -4.380   8.239  -8.617
  135    HD1  PHE  20           HD1      PHE  20  -4.168   4.642  -6.279
  136    HD2  PHE  20           HD2      PHE  20  -6.365   4.818  -9.982
  137    HE1  PHE  20           HE1      PHE  20  -4.056   2.179  -6.462
  138    HE2  PHE  20           HE2      PHE  20  -6.226   2.351 -10.179
  139    HZ   PHE  20           HZ       PHE  20  -5.081   1.021  -8.412
  140    HB2  PHE  20           2HB      PHE  20  -5.478   6.700  -6.964
  141    HB3  PHE  20           3HB      PHE  20  -6.234   6.764  -8.541
  142    H    LYS  21           H        LYS  21  -3.708   8.343  -6.321
  143    HA   LYS  21           HA       LYS  21  -0.860   7.814  -6.096
  144    HB2  LYS  21           2HB      LYS  21  -2.761   8.851  -3.963
  145    HB3  LYS  21           3HB      LYS  21  -1.041   9.104  -4.071
  146    HG2  LYS  21           2HG      LYS  21  -3.192  10.347  -5.815
  147    HG3  LYS  21           3HG      LYS  21  -2.211  11.150  -4.597
  148    HD2  LYS  21           2HD      LYS  21  -0.218  11.015  -5.977
  149    HD3  LYS  21           3HD      LYS  21  -1.015   9.918  -7.112
  150    HE2  LYS  21           2HE      LYS  21  -1.037  12.058  -8.164
  151    HE3  LYS  21           3HE      LYS  21  -2.683  11.677  -7.664
  152    HZ1  LYS  21           3HZ      LYS  21  -2.157  13.113  -5.632
  153    HZ2  LYS  21           1HZ      LYS  21  -0.865  13.671  -6.490
  154    HZ3  LYS  21           2HZ      LYS  21  -2.420  13.849  -7.032
  155    H    TYR  22           H        TYR  22   0.088   6.584  -4.308
  156    HA   TYR  22           HA       TYR  22  -1.677   4.845  -2.763
  157    HD1  TYR  22           HD2      TYR  22   1.771   4.449  -5.381
  158    HD2  TYR  22           HD1      TYR  22   0.328   1.640  -2.449
  159    HE1  TYR  22           HE2      TYR  22   4.103   3.861  -4.796
  160    HE2  TYR  22           HE1      TYR  22   2.642   1.034  -1.869
  161    HH   TYR  22           HH       TYR  22   4.883   1.650  -2.093
  162    HB2  TYR  22           2HB      TYR  22  -1.193   2.878  -3.755
  163    HB3  TYR  22           3HB      TYR  22  -0.713   3.814  -5.153
  164    H    VAL  23           H        VAL  23  -0.420   3.730  -1.021
  165    HA   VAL  23           HA       VAL  23   2.238   4.866  -0.458
  166    HB   VAL  23           HB       VAL  23   1.626   5.104   1.960
  167   HG11  VAL  23          1HG1      VAL  23   0.141   6.985   0.092
  168   HG12  VAL  23          2HG1      VAL  23   0.614   7.324   1.771
  169   HG13  VAL  23          3HG1      VAL  23   1.857   7.080   0.539
  170   HG21  VAL  23          3HG2      VAL  23  -1.247   4.916   0.959
  171   HG22  VAL  23          1HG2      VAL  23  -0.439   3.788   2.044
  172   HG23  VAL  23          2HG2      VAL  23  -0.749   5.457   2.570
  173    H    LEU  24           H        LEU  24   3.491   3.593   0.905
  174    HA   LEU  24           HA       LEU  24   2.725   0.707   1.000
  175    HG   LEU  24           HG       LEU  24   5.898   0.198   2.109
  176    HB2  LEU  24           2HB      LEU  24   4.574   1.123  -0.467
  177    HB3  LEU  24           3HB      LEU  24   5.382   2.146   0.724
  178   HD11  LEU  24          1HD1      LEU  24   4.468  -1.491   0.022
  179   HD12  LEU  24          2HD1      LEU  24   5.374  -2.081   1.436
  180   HD13  LEU  24          3HD1      LEU  24   3.875  -1.200   1.678
  181   HD21  LEU  24          3HD2      LEU  24   6.536  -0.278  -0.830
  182   HD22  LEU  24          1HD2      LEU  24   7.368   0.869   0.245
  183   HD23  LEU  24          2HD2      LEU  24   7.459  -0.853   0.579
  184    H    ILE  25           H        ILE  25   2.207   0.167   3.135
  185    HA   ILE  25           HA       ILE  25   3.301   1.923   5.299
  186    HB   ILE  25           HB       ILE  25   0.524   0.770   4.913
  187   HG12  ILE  25          2HG1      ILE  25   1.500   3.637   5.304
  188   HG13  ILE  25          3HG1      ILE  25   1.082   2.928   3.746
  189   HG21  ILE  25          1HG2      ILE  25   1.671   2.160   7.378
  190   HG22  ILE  25          2HG2      ILE  25  -0.036   1.720   7.151
  191   HG23  ILE  25          3HG2      ILE  25   1.163   0.459   7.281
  192   HD11  ILE  25          3HD1      ILE  25  -1.249   2.573   4.531
  193   HD12  ILE  25          1HD1      ILE  25  -0.846   3.413   6.054
  194   HD13  ILE  25          2HD1      ILE  25  -0.763   4.277   4.529
  195    H    ARG  26           H        ARG  26   4.530   0.939   6.672
  196    HA   ARG  26           HA       ARG  26   4.572  -2.006   6.907
  197    HE   ARG  26           HE       ARG  26   8.197   0.091   9.276
  198    HB2  ARG  26           2HB      ARG  26   6.662  -0.551   6.927
  199    HB3  ARG  26           3HB      ARG  26   6.116   0.142   8.451
  200    HG2  ARG  26           2HG      ARG  26   6.326  -1.947   9.605
  201    HG3  ARG  26           3HG      ARG  26   6.381  -2.869   8.104
  202    HD2  ARG  26           2HD      ARG  26   8.572  -2.791   9.159
  203    HD3  ARG  26           3HD      ARG  26   8.584  -2.042   7.557
  204   HH11  ARG  26          1HH2      ARG  26  10.661  -2.460   9.023
  205   HH12  ARG  26          2HH2      ARG  26  11.952  -1.460   9.573
  206   HH21  ARG  26          1HH1      ARG  26   9.938   1.460   9.892
  207   HH22  ARG  26          2HH1      ARG  26  11.523   0.795  10.125
  208    H    VAL  27           H        VAL  27   3.797  -3.009   8.820
  209    HA   VAL  27           HA       VAL  27   2.437  -1.352  10.825
  210    HB   VAL  27           HB       VAL  27   0.723  -1.776   9.213
  211   HG11  VAL  27          1HG1      VAL  27   1.407  -4.730   9.351
  212   HG12  VAL  27          2HG1      VAL  27  -0.039  -4.048   8.574
  213   HG13  VAL  27          3HG1      VAL  27   1.559  -3.657   7.939
  214   HG21  VAL  27          3HG2      VAL  27   0.297  -3.738  11.495
  215   HG22  VAL  27          1HG2      VAL  27   0.126  -1.975  11.607
  216   HG23  VAL  27          2HG2      VAL  27  -0.942  -2.896  10.540
  217    H    HIS  28           H        HIS  28   2.295  -2.434  12.848
  218    HA   HIS  28           HA       HIS  28   4.181  -4.736  13.163
  219    HD1  HIS  28           HD1      HIS  28   6.954  -3.632  12.976
  220    HD2  HIS  28           HD2      HIS  28   4.524  -0.222  13.428
  221    HE1  HIS  28           HE1      HIS  28   8.103  -1.751  11.698
  222    HB2  HIS  28           2HB      HIS  28   3.881  -2.281  14.935
  223    HB3  HIS  28           3HB      HIS  28   5.070  -3.572  15.095
  224    H    SER  29           H        SER  29   3.621  -6.194  14.854
  225    HA   SER  29           HA       SER  29   0.908  -6.546  15.456
  226    HG   SER  29           HG       SER  29   1.945  -9.028  14.997
  227    HB2  SER  29           2HB      SER  29   3.311  -7.577  16.983
  228    HB3  SER  29           3HB      SER  29   1.684  -8.261  17.025
  229    H    ALA  30           H        ALA  30  -0.245  -5.054  16.543
  230    HA   ALA  30           HA       ALA  30   0.215  -4.903  19.407
  231    HB1  ALA  30           3HB      ALA  30   1.398  -2.882  18.614
  232    HB2  ALA  30           1HB      ALA  30  -0.062  -2.341  17.767
  233    HB3  ALA  30           2HB      ALA  30  -0.045  -2.448  19.538
  234    HA   PRO  31           HA       PRO  31  -4.187  -4.459  17.432
  235    HB2  PRO  31           2HB      PRO  31  -5.261  -6.974  17.259
  236    HB3  PRO  31           3HB      PRO  31  -4.405  -6.122  15.938
  237    HG2  PRO  31           2HG      PRO  31  -3.302  -8.177  17.847
  238    HG3  PRO  31           3HG      PRO  31  -3.067  -8.067  16.069
  239    HD2  PRO  31           2HD      PRO  31  -1.199  -7.155  17.820
  240    HD3  PRO  31           3HD      PRO  31  -1.545  -6.332  16.267
  241    H    ARG  32           H        ARG  32  -5.787  -4.090  18.738
  242    HA   ARG  32           HA       ARG  32  -6.475  -3.270  20.726
  243    HE   ARG  32           HE       ARG  32  -9.775  -3.705  21.429
  244    HB2  ARG  32           2HB      ARG  32  -7.032  -6.228  21.129
  245    HB3  ARG  32           3HB      ARG  32  -7.873  -4.902  21.920
  246    HG2  ARG  32           2HG      ARG  32  -7.928  -5.566  18.948
  247    HG3  ARG  32           3HG      ARG  32  -9.232  -5.773  20.105
  248    HD2  ARG  32           2HD      ARG  32  -8.079  -3.102  19.183
  249    HD3  ARG  32           3HD      ARG  32  -9.605  -3.820  18.664
  250   HH11  ARG  32          1HH2      ARG  32  -9.438  -1.281  18.796
  251   HH12  ARG  32          2HH2      ARG  32 -10.192  -0.040  19.715
  252   HH21  ARG  32          1HH1      ARG  32 -10.764  -2.011  22.598
  253   HH22  ARG  32          2HH1      ARG  32 -10.967  -0.455  21.893
  254    H    SER  33           H        SER  33  -3.585  -3.754  20.865
  255    HA   SER  33           HA       SER  33  -1.871  -4.085  22.251
  256    HG   SER  33           HG       SER  33  -2.874  -0.879  23.503
  257    HB2  SER  33           2HB      SER  33  -3.716  -2.847  24.326
  258    HB3  SER  33           3HB      SER  33  -1.945  -2.817  24.317
  259    H    GLY  34           H        GLY  34  -3.556  -6.426  21.980
  260    HA2  GLY  34           2HA      GLY  34  -3.345  -7.699  24.695
  261    HA3  GLY  34           1HA      GLY  34  -4.694  -7.910  23.580
  262    H    ALA  35           H        ALA  35  -2.876  -8.165  21.151
  263    HA   ALA  35           HA       ALA  35  -2.400 -10.991  21.349
  264    HB1  ALA  35           3HB      ALA  35  -2.893  -9.956  19.203
  265    HB2  ALA  35           1HB      ALA  35  -1.410  -8.963  19.305
  266    HB3  ALA  35           2HB      ALA  35  -1.301 -10.726  19.138
  267    HA   PRO  36           HA       PRO  36   1.676 -10.664  23.219
  268    HB2  PRO  36           2HB      PRO  36   2.579 -13.225  23.001
  269    HB3  PRO  36           3HB      PRO  36   1.196 -12.788  24.049
  270    HG2  PRO  36           2HG      PRO  36   1.106 -13.898  21.222
  271    HG3  PRO  36           3HG      PRO  36   0.214 -14.479  22.665
  272    HD2  PRO  36           2HD      PRO  36  -0.907 -12.769  20.847
  273    HD3  PRO  36           3HD      PRO  36  -1.275 -12.658  22.595
  274    H    ALA  37           H        ALA  37   1.206 -11.394  19.853
  275    HA   ALA  37           HA       ALA  37   3.865 -11.866  18.999
  276    HB1  ALA  37           3HB      ALA  37   1.895 -12.327  17.602
  277    HB2  ALA  37           1HB      ALA  37   1.512 -10.591  17.528
  278    HB3  ALA  37           2HB      ALA  37   2.989 -11.212  16.766
  279    H    ALA  38           H        ALA  38   5.307 -10.472  17.870
  280    HA   ALA  38           HA       ALA  38   5.076  -7.550  18.167
  281    HB1  ALA  38           3HB      ALA  38   6.221  -8.320  20.232
  282    HB2  ALA  38           1HB      ALA  38   7.440  -9.155  19.238
  283    HB3  ALA  38           2HB      ALA  38   7.299  -7.381  19.183
  284    H    GLU  39           H        GLU  39   4.670  -9.115  15.894
  285    HA   GLU  39           HA       GLU  39   7.196  -9.254  14.374
  286    HB2  GLU  39           2HB      GLU  39   4.354 -10.083  13.622
  287    HB3  GLU  39           3HB      GLU  39   5.815 -10.415  12.698
  288    HG2  GLU  39           2HG      GLU  39   5.058 -11.575  15.407
  289    HG3  GLU  39           3HG      GLU  39   5.114 -12.413  13.865
  290    H    SER  40           H        SER  40   6.578  -8.578  11.903
  291    HA   SER  40           HA       SER  40   4.981  -6.135  11.801
  292    HG   SER  40           HG       SER  40   8.547  -5.369  12.439
  293    HB2  SER  40           2HB      SER  40   7.779  -6.176  10.670
  294    HB3  SER  40           3HB      SER  40   6.677  -4.803  10.745
  295    H    LYS  41           H        LYS  41   4.506  -5.539   9.585
  296    HA   LYS  41           HA       LYS  41   4.749  -7.533   7.446
  297    HB2  LYS  41           2HB      LYS  41   2.981  -8.407   8.912
  298    HB3  LYS  41           3HB      LYS  41   2.163  -6.861   8.936
  299    HG2  LYS  41           2HG      LYS  41   2.462  -8.040   6.214
  300    HG3  LYS  41           3HG      LYS  41   1.565  -9.035   7.365
  301    HD2  LYS  41           2HD      LYS  41   0.041  -7.171   7.886
  302    HD3  LYS  41           3HD      LYS  41   0.935  -6.120   6.787
  303    HE2  LYS  41           2HE      LYS  41  -1.121  -6.903   5.747
  304    HE3  LYS  41           3HE      LYS  41   0.286  -7.494   4.861
  305    HZ1  LYS  41           3HZ      LYS  41  -0.050  -9.646   5.858
  306    HZ2  LYS  41           1HZ      LYS  41  -1.277  -9.097   6.819
  307    HZ3  LYS  41           2HZ      LYS  41  -1.446  -9.169   5.181
  308    H    GLU  42           H        GLU  42   3.492  -6.480   5.455
  309    HA   GLU  42           HA       GLU  42   3.378  -3.526   5.718
  310    HB2  GLU  42           2HB      GLU  42   4.673  -5.013   3.395
  311    HB3  GLU  42           3HB      GLU  42   4.401  -3.284   3.522
  312    HG2  GLU  42           2HG      GLU  42   6.664  -3.525   3.999
  313    HG3  GLU  42           3HG      GLU  42   5.908  -3.242   5.554
  314    H    ILE  43           H        ILE  43   1.837  -2.559   4.415
  315    HA   ILE  43           HA       ILE  43   0.104  -4.276   2.760
  316    HB   ILE  43           HB       ILE  43  -1.880  -3.077   3.586
  317   HG12  ILE  43          2HG1      ILE  43  -0.046  -1.882   5.715
  318   HG13  ILE  43          3HG1      ILE  43  -0.868  -1.002   4.422
  319   HG21  ILE  43          1HG2      ILE  43  -0.375  -4.420   5.846
  320   HG22  ILE  43          2HG2      ILE  43  -2.137  -4.402   5.568
  321   HG23  ILE  43          3HG2      ILE  43  -1.088  -5.273   4.448
  322   HD11  ILE  43          3HD1      ILE  43  -3.074  -1.635   5.413
  323   HD12  ILE  43          1HD1      ILE  43  -2.216  -2.426   6.757
  324   HD13  ILE  43          2HD1      ILE  43  -2.053  -0.689   6.514
  325    H    VAL  44           H        VAL  44  -1.064  -3.132   1.161
  326    HA   VAL  44           HA       VAL  44   0.331  -0.660   0.207
  327    HB   VAL  44           HB       VAL  44  -0.452  -3.168  -1.341
  328   HG11  VAL  44          1HG1      VAL  44   1.139  -0.738  -2.246
  329   HG12  VAL  44          2HG1      VAL  44   0.819  -2.194  -3.204
  330   HG13  VAL  44          3HG1      VAL  44  -0.521  -1.136  -2.749
  331   HG21  VAL  44          3HG2      VAL  44   2.322  -2.222  -0.522
  332   HG22  VAL  44          1HG2      VAL  44   1.491  -3.675   0.082
  333   HG23  VAL  44          2HG2      VAL  44   1.954  -3.582  -1.607
  334    H    ARG  45           H        ARG  45  -1.161   0.943  -0.052
  335    HA   ARG  45           HA       ARG  45  -3.927   0.235  -0.887
  336    HE   ARG  45           HE       ARG  45  -4.438  -2.806   2.309
  337    HB2  ARG  45           2HB      ARG  45  -3.215   2.082   1.433
  338    HB3  ARG  45           3HB      ARG  45  -4.837   1.812   0.811
  339    HG2  ARG  45           2HG      ARG  45  -3.087  -0.237   2.238
  340    HG3  ARG  45           3HG      ARG  45  -4.468   0.631   2.905
  341    HD2  ARG  45           2HD      ARG  45  -6.013  -0.500   1.425
  342    HD3  ARG  45           3HD      ARG  45  -4.703  -1.307   0.587
  343   HH11  ARG  45          1HH1      ARG  45  -6.769  -0.327   3.298
  344   HH12  ARG  45          2HH1      ARG  45  -7.137  -1.063   4.814
  345   HH21  ARG  45          1HH2      ARG  45  -4.973  -3.847   4.265
  346   HH22  ARG  45          2HH2      ARG  45  -6.055  -3.094   5.397
  347    H    GLY  46           H        GLY  46  -4.940   1.926  -2.070
  348    HA2  GLY  46           2HA      GLY  46  -3.950   4.559  -2.326
  349    HA3  GLY  46           1HA      GLY  46  -3.253   3.561  -3.620
  350    H    TYR  47           H        TYR  47  -5.433   5.748  -3.540
  351    HA   TYR  47           HA       TYR  47  -7.413   4.332  -5.181
  352    HD1  TYR  47           HD2      TYR  47  -6.851   4.819  -1.070
  353    HD2  TYR  47           HD1      TYR  47  -9.540   2.457  -3.458
  354    HE1  TYR  47           HE2      TYR  47  -6.733   2.999   0.616
  355    HE2  TYR  47           HE1      TYR  47  -9.425   0.624  -1.797
  356    HH   TYR  47           HH       TYR  47  -8.603  -0.053   0.265
  357    HB2  TYR  47           2HB      TYR  47  -8.336   5.841  -2.716
  358    HB3  TYR  47           3HB      TYR  47  -9.309   4.878  -3.810
  359    H    LYS  48           H        LYS  48  -8.775   5.814  -6.300
  360    HA   LYS  48           HA       LYS  48  -7.557   8.267  -7.033
  361    HB2  LYS  48           2HB      LYS  48  -9.518   8.662  -8.382
  362    HB3  LYS  48           3HB      LYS  48  -9.040   6.969  -8.490
  363    HG2  LYS  48           2HG      LYS  48 -10.845   6.471  -6.724
  364    HG3  LYS  48           3HG      LYS  48 -11.399   8.129  -6.937
  365    HD2  LYS  48           2HD      LYS  48 -11.240   5.964  -9.077
  366    HD3  LYS  48           3HD      LYS  48 -12.709   6.499  -8.276
  367    HE2  LYS  48           2HE      LYS  48 -10.953   8.248 -10.068
  368    HE3  LYS  48           3HE      LYS  48 -12.407   7.402 -10.590
  369    HZ1  LYS  48           3HZ      LYS  48 -13.688   8.724  -9.014
  370    HZ2  LYS  48           1HZ      LYS  48 -12.351   9.544  -8.543
  371    HZ3  LYS  48           2HZ      LYS  48 -12.903   9.682 -10.067
  372    H    TRP  49           H        TRP  49  -9.904   7.644  -4.422
  373    HA   TRP  49           HA       TRP  49 -10.607  10.415  -4.130
  374    HD1  TRP  49           HD1      TRP  49 -12.518   6.519  -3.331
  375    HE1  TRP  49           HE1      TRP  49 -11.877   4.516  -1.895
  376    HE3  TRP  49           HE3      TRP  49  -9.087   8.781  -0.265
  377    HZ2  TRP  49           HZ2      TRP  49 -10.102   3.952   0.335
  378    HZ3  TRP  49           HZ3      TRP  49  -7.850   7.462   1.402
  379    HH2  TRP  49           HH2      TRP  49  -8.314   5.024   1.697
  380    HB2  TRP  49           2HB      TRP  49 -11.410   9.679  -1.847
  381    HB3  TRP  49           3HB      TRP  49 -12.175   9.006  -3.263
  382    H    ALA  50           H        ALA  50  -7.782   8.567  -3.007
  383    HA   ALA  50           HA       ALA  50  -7.018  10.748  -1.180
  384    HB1  ALA  50           3HB      ALA  50  -6.534   8.551  -0.392
  385    HB2  ALA  50           1HB      ALA  50  -5.643   8.140  -1.890
  386    HB3  ALA  50           2HB      ALA  50  -5.027   9.385  -0.771
  387    H    GLU  51           H        GLU  51  -7.139  12.324  -2.953
  388    HA   GLU  51           HA       GLU  51  -5.264  12.313  -5.106
  389    HB2  GLU  51           2HB      GLU  51  -7.286  13.737  -4.963
  390    HB3  GLU  51           3HB      GLU  51  -6.593  14.612  -3.605
  391    HG2  GLU  51           2HG      GLU  51  -6.441  15.898  -5.671
  392    HG3  GLU  51           3HG      GLU  51  -4.848  15.556  -5.025
  393    H    TYR  52           H        TYR  52  -4.765  12.705  -1.682
  394    HA   TYR  52           HA       TYR  52  -1.963  13.545  -2.124
  395    HD1  TYR  52           HD1      TYR  52  -4.715  15.993  -2.208
  396    HD2  TYR  52           HD2      TYR  52  -4.296  14.342   1.745
  397    HE1  TYR  52           HE1      TYR  52  -7.036  16.712  -1.678
  398    HE2  TYR  52           HE2      TYR  52  -6.611  15.045   2.296
  399    HH   TYR  52           HH       TYR  52  -8.717  16.765  -0.062
  400    HB2  TYR  52           2HB      TYR  52  -2.356  14.619   0.285
  401    HB3  TYR  52           3HB      TYR  52  -2.505  15.502  -1.217
  402    H    HIS  53           H        HIS  53  -0.502  12.634  -0.418
  403    HA   HIS  53           HA       HIS  53  -1.286   9.820  -0.188
  404    HD2  HIS  53           HD2      HIS  53   0.765   8.252  -1.776
  405    HE1  HIS  53           HE1      HIS  53   2.123  11.411  -4.282
  406    HE2  HIS  53           HE2      HIS  53   1.566   8.922  -4.177
  407    HB2  HIS  53           2HB      HIS  53   1.292  11.283   0.537
  408    HB3  HIS  53           3HB      HIS  53   1.055   9.549   0.576
  409    H    ALA  54           H        ALA  54  -0.746  12.651   1.888
  410    HA   ALA  54           HA       ALA  54  -0.956  11.448   4.412
  411    HB1  ALA  54           3HB      ALA  54  -0.579  13.871   4.062
  412    HB2  ALA  54           1HB      ALA  54  -2.257  14.052   3.496
  413    HB3  ALA  54           2HB      ALA  54  -1.930  13.584   5.176
  414    H    ASP  55           H        ASP  55  -3.575  11.747   1.983
  415    HA   ASP  55           HA       ASP  55  -5.697  11.512   3.912
  416    HB2  ASP  55           2HB      ASP  55  -5.875  12.369   1.482
  417    HB3  ASP  55           3HB      ASP  55  -5.860  10.699   0.991
  418    H    ILE  56           H        ILE  56  -4.056   9.139   1.750
  419    HA   ILE  56           HA       ILE  56  -5.558   6.911   2.805
  420    HB   ILE  56           HB       ILE  56  -3.349   5.688   1.836
  421   HG12  ILE  56          2HG1      ILE  56  -3.345   8.320   0.355
  422   HG13  ILE  56          3HG1      ILE  56  -2.014   7.384   1.042
  423   HG21  ILE  56          1HG2      ILE  56  -5.715   6.540   0.180
  424   HG22  ILE  56          2HG2      ILE  56  -4.686   5.103  -0.049
  425   HG23  ILE  56          3HG2      ILE  56  -5.689   5.233   1.383
  426   HD11  ILE  56          3HD1      ILE  56  -2.421   5.681  -0.788
  427   HD12  ILE  56          1HD1      ILE  56  -3.654   6.766  -1.466
  428   HD13  ILE  56          2HD1      ILE  56  -1.963   7.291  -1.386
  429    H    TYR  57           H        TYR  57  -2.351   8.391   3.629
  430    HA   TYR  57           HA       TYR  57  -1.678   6.284   5.405
  431    HD1  TYR  57           HD1      TYR  57   0.305   5.704   6.317
  432    HD2  TYR  57           HD2      TYR  57   0.255   9.848   7.515
  433    HE1  TYR  57           HE1      TYR  57   1.604   5.121   8.327
  434    HE2  TYR  57           HE2      TYR  57   1.580   9.283   9.525
  435    HH   TYR  57           HH       TYR  57   2.524   5.918  10.348
  436    HB2  TYR  57           2HB      TYR  57  -0.052   7.970   4.659
  437    HB3  TYR  57           3HB      TYR  57  -0.908   9.218   5.565
  438    H    ASP  58           H        ASP  58  -3.512   9.346   6.041
  439    HA   ASP  58           HA       ASP  58  -3.920   8.861   8.798
  440    HB2  ASP  58           2HB      ASP  58  -4.323  11.039   7.788
  441    HB3  ASP  58           3HB      ASP  58  -5.626  10.379   6.793
  442    H    LYS  59           H        LYS  59  -6.005   7.994   5.969
  443    HA   LYS  59           HA       LYS  59  -8.102   6.824   7.520
  444    HB2  LYS  59           2HB      LYS  59  -8.436   7.540   5.268
  445    HB3  LYS  59           3HB      LYS  59  -7.202   6.451   4.634
  446    HG2  LYS  59           2HG      LYS  59  -8.547   4.598   4.703
  447    HG3  LYS  59           3HG      LYS  59  -9.444   5.145   6.138
  448    HD2  LYS  59           2HD      LYS  59 -10.732   6.728   4.858
  449    HD3  LYS  59           3HD      LYS  59  -9.741   6.472   3.427
  450    HE2  LYS  59           2HE      LYS  59 -11.792   5.305   3.068
  451    HE3  LYS  59           3HE      LYS  59 -10.525   4.102   3.300
  452    HZ1  LYS  59           3HZ      LYS  59 -11.329   3.797   5.577
  453    HZ2  LYS  59           1HZ      LYS  59 -12.479   4.946   5.370
  454    HZ3  LYS  59           2HZ      LYS  59 -12.544   3.560   4.522
  455    H    VAL  60           H        VAL  60  -5.328   5.237   5.825
  456    HA   VAL  60           HA       VAL  60  -6.236   2.632   6.589
  457    HB   VAL  60           HB       VAL  60  -3.587   3.621   5.454
  458   HG11  VAL  60          1HG1      VAL  60  -4.664   0.770   5.668
  459   HG12  VAL  60          2HG1      VAL  60  -3.218   1.267   4.757
  460   HG13  VAL  60          3HG1      VAL  60  -3.245   1.427   6.510
  461   HG21  VAL  60          3HG2      VAL  60  -5.940   2.256   4.061
  462   HG22  VAL  60          1HG2      VAL  60  -5.648   3.999   4.014
  463   HG23  VAL  60          2HG2      VAL  60  -4.460   2.918   3.313
  464    H    SER  61           H        SER  61  -3.412   4.659   7.808
  465    HA   SER  61           HA       SER  61  -2.804   2.736   9.818
  466    HG   SER  61           HG       SER  61  -0.508   5.093   8.489
  467    HB2  SER  61           2HB      SER  61  -2.146   5.697   9.722
  468    HB3  SER  61           3HB      SER  61  -1.366   4.478  10.744
  469    H    GLY  62           H        GLY  62  -5.155   5.432   9.725
  470    HA2  GLY  62           2HA      GLY  62  -5.789   5.505  12.497
  471    HA3  GLY  62           1HA      GLY  62  -6.867   5.905  11.143
  472    H    ASP  63           H        ASP  63  -7.133   3.480   9.770
  473    HA   ASP  63           HA       ASP  63  -8.888   2.002  11.447
  474    HB2  ASP  63           2HB      ASP  63  -9.057   2.056   8.972
  475    HB3  ASP  63           3HB      ASP  63  -7.604   1.053   8.867
  476    H    MET  64           H        MET  64  -5.486   1.361  10.456
  477    HA   MET  64           HA       MET  64  -5.239  -1.140  11.797
  478    HB2  MET  64           2HB      MET  64  -3.105   0.999  11.379
  479    HB3  MET  64           3HB      MET  64  -2.807  -0.651  11.873
  480    HG2  MET  64           2HG      MET  64  -3.938   0.190   9.189
  481    HG3  MET  64           3HG      MET  64  -2.339  -0.431   9.514
  482    HE1  MET  64           3HE      MET  64  -6.172  -1.317   9.573
  483    HE2  MET  64           1HE      MET  64  -5.446  -1.188   7.941
  484    HE3  MET  64           2HE      MET  64  -6.044  -2.754   8.540
  485    H    GLN  65           H        GLN  65  -4.659   2.201  13.036
  486    HA   GLN  65           HA       GLN  65  -3.965   1.357  15.656
  487    HB2  GLN  65           2HB      GLN  65  -4.925   3.929  14.374
  488    HB3  GLN  65           3HB      GLN  65  -4.694   3.859  16.120
  489    HG2  GLN  65           2HG      GLN  65  -2.441   2.995  14.264
  490    HG3  GLN  65           3HG      GLN  65  -2.757   4.699  14.551
  491   HE21  GLN  65          2HE2      GLN  65  -1.730   1.668  16.120
  492   HE22  GLN  65          1HE2      GLN  65  -1.127   2.426  17.585
  493    H    LYS  66           H        LYS  66  -7.181   1.955  14.172
  494    HA   LYS  66           HA       LYS  66  -8.591   1.667  16.695
  495    HB2  LYS  66           2HB      LYS  66  -9.461   1.397  13.792
  496    HB3  LYS  66           3HB      LYS  66 -10.552   1.098  15.152
  497    HG2  LYS  66           2HG      LYS  66 -10.156   3.346  16.043
  498    HG3  LYS  66           3HG      LYS  66  -9.032   3.718  14.743
  499    HD2  LYS  66           2HD      LYS  66 -11.985   3.069  14.357
  500    HD3  LYS  66           3HD      LYS  66 -11.306   4.698  14.465
  501    HE2  LYS  66           2HE      LYS  66  -9.886   4.238  12.456
  502    HE3  LYS  66           3HE      LYS  66 -10.633   2.638  12.321
  503    HZ1  LYS  66           3HZ      LYS  66 -12.773   3.737  11.991
  504    HZ2  LYS  66           1HZ      LYS  66 -12.084   5.213  12.114
  505    HZ3  LYS  66           2HZ      LYS  66 -11.706   4.238  10.866
  506    H    GLN  67           H        GLN  67  -7.523  -0.705  14.157
  507    HA   GLN  67           HA       GLN  67  -8.512  -2.972  15.651
  508    HB2  GLN  67           2HB      GLN  67  -6.201  -2.807  13.660
  509    HB3  GLN  67           3HB      GLN  67  -6.889  -4.285  14.328
  510    HG2  GLN  67           2HG      GLN  67  -9.107  -3.685  13.327
  511    HG3  GLN  67           3HG      GLN  67  -8.376  -2.253  12.608
  512   HE21  GLN  67          2HE2      GLN  67  -8.245  -2.647  10.371
  513   HE22  GLN  67          1HE2      GLN  67  -7.629  -4.149   9.711
  514    H    GLY  68           H        GLY  68  -5.683  -0.922  15.972
  515    HA2  GLY  68           2HA      GLY  68  -4.908  -0.628  18.298
  516    HA3  GLY  68           1HA      GLY  68  -4.769  -2.382  18.409
  517    H    CYS  69           H        CYS  69  -3.895  -2.168  15.406
  518    HA   CYS  69           HA       CYS  69  -1.138  -2.729  15.838
  519    HG   CYS  69           HG       CYS  69  -2.751  -4.721  12.828
  520    HB2  CYS  69           2HB      CYS  69  -2.857  -2.176  13.387
  521    HB3  CYS  69           3HB      CYS  69  -1.161  -2.668  13.299
  522    H    ASP  70           H        ASP  70   0.704  -1.576  15.053
  523    HA   ASP  70           HA       ASP  70   0.393   1.406  15.029
  524    HB2  ASP  70           2HB      ASP  70   1.611   0.594  16.977
  525    HB3  ASP  70           3HB      ASP  70   2.654  -0.402  15.958
  526    H    CYS  71           H        CYS  71   1.620   2.544  13.372
  527    HA   CYS  71           HA       CYS  71   2.556   0.823  11.133
  528    HG   CYS  71           HG       CYS  71  -1.188   1.291   9.948
  529    HB2  CYS  71           2HB      CYS  71   0.439   3.024  11.052
  530    HB3  CYS  71           3HB      CYS  71   1.120   2.247   9.628
  531    H    GLU  72           H        GLU  72   3.681   1.936   9.405
  532    HA   GLU  72           HA       GLU  72   4.402   4.776   9.741
  533    HB2  GLU  72           2HB      GLU  72   6.145   3.617  10.978
  534    HB3  GLU  72           3HB      GLU  72   6.328   2.408   9.700
  535    HG2  GLU  72           2HG      GLU  72   7.203   4.090   8.166
  536    HG3  GLU  72           3HG      GLU  72   6.892   5.374   9.346
  537    H    CYS  73           H        CYS  73   4.065   5.651   7.660
  538    HA   CYS  73           HA       CYS  73   3.895   3.911   5.316
  539    HG   CYS  73           HG       CYS  73   3.079   8.342   5.357
  540    HB2  CYS  73           2HB      CYS  73   3.861   6.178   4.104
  541    HB3  CYS  73           3HB      CYS  73   2.480   5.801   5.119
  542    H    LEU  74           H        LEU  74   5.673   3.138   4.313
  543    HA   LEU  74           HA       LEU  74   8.352   4.088   4.961
  544    HG   LEU  74           HG       LEU  74   6.953   1.104   4.822
  545    HB2  LEU  74           2HB      LEU  74   7.377   2.256   2.727
  546    HB3  LEU  74           3HB      LEU  74   9.054   2.554   3.170
  547   HD11  LEU  74          1HD1      LEU  74   9.637   0.176   3.708
  548   HD12  LEU  74          2HD1      LEU  74   8.435  -0.814   4.565
  549   HD13  LEU  74          3HD1      LEU  74   8.060  -0.153   2.968
  550   HD21  LEU  74          3HD2      LEU  74   9.787   1.890   5.637
  551   HD22  LEU  74          1HD2      LEU  74   8.267   2.357   6.439
  552   HD23  LEU  74          2HD2      LEU  74   8.799   0.677   6.476
  553    H    GLY  75           H        GLY  75   5.864   4.839   2.575
  554    HA2  GLY  75           2HA      GLY  75   6.608   7.405   2.146
  555    HA3  GLY  75           1HA      GLY  75   7.505   6.541   0.893
  556    H    GLY  76           H        GLY  76   6.026   7.876  -0.504
  557    HA2  GLY  76           2HA      GLY  76   3.540   6.353  -1.116
  558    HA3  GLY  76           1HA      GLY  76   3.519   8.117  -1.051
  559    H    GLY  77           H        GLY  77   2.736   6.921  -3.308
  560    HA2  GLY  77           2HA      GLY  77   4.498   7.928  -5.362
  561    HA3  GLY  77           1HA      GLY  77   4.465   6.158  -5.289
  562    H    ARG  78           H        ARG  78   3.404   6.289  -7.461
  563    HA   ARG  78           HA       ARG  78   0.510   6.273  -7.131
  564    HE   ARG  78           HE       ARG  78   1.711   8.757 -12.363
  565    HB2  ARG  78           2HB      ARG  78  -0.082   7.725  -8.861
  566    HB3  ARG  78           3HB      ARG  78   1.090   8.616  -7.905
  567    HG2  ARG  78           2HG      ARG  78   2.839   8.002  -9.679
  568    HG3  ARG  78           3HG      ARG  78   1.502   7.301 -10.624
  569    HD2  ARG  78           2HD      ARG  78   0.335   9.632 -10.195
  570    HD3  ARG  78           3HD      ARG  78   1.975  10.186  -9.824
  571   HH11  ARG  78          1HH1      ARG  78   1.483  11.946 -10.805
  572   HH12  ARG  78          2HH1      ARG  78   1.491  12.833 -12.281
  573   HH21  ARG  78          1HH2      ARG  78   1.602   9.975 -14.365
  574   HH22  ARG  78          2HH2      ARG  78   1.652  11.690 -14.325
  575    H    ILE  79           H        ILE  79  -0.511   5.270  -9.120
  576    HA   ILE  79           HA       ILE  79   1.288   3.047  -9.954
  577    HB   ILE  79           HB       ILE  79  -1.543   3.109  -8.888
  578   HG12  ILE  79          2HG1      ILE  79   0.957   1.520  -8.130
  579   HG13  ILE  79          3HG1      ILE  79   0.413   2.983  -7.316
  580   HG21  ILE  79          1HG2      ILE  79  -0.220   0.735 -10.276
  581   HG22  ILE  79          2HG2      ILE  79  -1.762   0.696  -9.389
  582   HG23  ILE  79          3HG2      ILE  79  -1.638   1.635 -10.859
  583   HD11  ILE  79          3HD1      ILE  79  -1.695   1.813  -6.656
  584   HD12  ILE  79          1HD1      ILE  79  -1.022   0.304  -7.326
  585   HD13  ILE  79          2HD1      ILE  79  -0.217   1.106  -5.976
  586    H    SER  80           H        SER  80   1.278   2.363 -11.922
  587    HA   SER  80           HA       SER  80   1.182   2.323 -14.169
  588    HG   SER  80           HG       SER  80  -1.377   0.129 -13.187
  589    HB2  SER  80           2HB      SER  80  -1.740   2.351 -13.419
  590    HB3  SER  80           3HB      SER  80  -1.060   1.667 -14.912
  591    H    HIS  81           H        HIS  81  -0.845   3.112 -15.978
  592    HA   HIS  81           HA       HIS  81  -0.712   6.061 -16.121
  593    HD1  HIS  81           HD1      HIS  81   1.675   5.890 -15.569
  594    HD2  HIS  81           HD2      HIS  81   2.326   4.985 -19.638
  595    HE1  HIS  81           HE1      HIS  81   4.160   6.216 -15.990
  596    HB2  HIS  81           2HB      HIS  81  -0.065   4.091 -18.349
  597    HB3  HIS  81           3HB      HIS  81  -0.343   5.812 -18.577
  598    H    GLN  82           H        GLN  82  -2.445   6.700 -17.889
  599    HA   GLN  82           HA       GLN  82  -4.956   5.740 -17.018
  600    HB2  GLN  82           2HB      GLN  82  -4.185   7.241 -19.557
  601    HB3  GLN  82           3HB      GLN  82  -5.846   6.985 -19.030
  602    HG2  GLN  82           2HG      GLN  82  -3.748   8.488 -17.397
  603    HG3  GLN  82           3HG      GLN  82  -4.936   9.239 -18.452
  604   HE21  GLN  82          2HE2      GLN  82  -7.232   9.169 -17.841
  605   HE22  GLN  82          1HE2      GLN  82  -7.685   8.825 -16.191
  606    H    SER  83           H        SER  83  -2.922   4.629 -19.699
  607    HA   SER  83           HA       SER  83  -4.801   2.731 -20.786
  608    HG   SER  83           HG       SER  83  -2.175   3.962 -22.908
  609    HB2  SER  83           2HB      SER  83  -1.759   2.808 -20.961
  610    HB3  SER  83           3HB      SER  83  -2.874   1.952 -22.043
  611    H    GLN  84           H        GLN  84  -5.365   2.131 -18.397
  612    HA   GLN  84           HA       GLN  84  -3.623   0.709 -16.753
  613    HB2  GLN  84           2HB      GLN  84  -5.498   0.105 -15.456
  614    HB3  GLN  84           3HB      GLN  84  -5.802   1.717 -16.077
  615    HG2  GLN  84           2HG      GLN  84  -7.018  -0.842 -17.244
  616    HG3  GLN  84           3HG      GLN  84  -7.779   0.155 -16.026
  617   HE21  GLN  84          2HE2      GLN  84  -8.809   2.093 -16.604
  618   HE22  GLN  84          1HE2      GLN  84  -8.955   2.632 -18.275
  619    H    ASP  85           H        ASP  85  -5.065  -0.475 -19.668
  620    HA   ASP  85           HA       ASP  85  -5.033  -3.290 -19.168
  621    HB2  ASP  85           2HB      ASP  85  -6.169  -2.266 -21.081
  622    HB3  ASP  85           3HB      ASP  85  -4.630  -1.679 -21.715
  623    H    LYS  86           H        LYS  86  -2.428  -0.984 -19.693
  624    HA   LYS  86           HA       LYS  86  -0.402  -2.796 -20.618
  625    HB2  LYS  86           2HB      LYS  86  -0.433  -0.242 -20.724
  626    HB3  LYS  86           3HB      LYS  86  -0.145  -0.221 -18.990
  627    HG2  LYS  86           2HG      LYS  86   1.883   0.249 -20.176
  628    HG3  LYS  86           3HG      LYS  86   2.072  -1.288 -19.347
  629    HD2  LYS  86           2HD      LYS  86   1.647  -2.496 -21.489
  630    HD3  LYS  86           3HD      LYS  86   1.410  -0.959 -22.321
  631    HE2  LYS  86           2HE      LYS  86   3.984  -1.818 -20.910
  632    HE3  LYS  86           3HE      LYS  86   3.674  -2.018 -22.636
  633    HZ1  LYS  86           3HZ      LYS  86   3.497   0.392 -22.831
  634    HZ2  LYS  86           1HZ      LYS  86   3.814   0.589 -21.236
  635    HZ3  LYS  86           2HZ      LYS  86   4.946  -0.032 -22.226
  636    H    LYS  87           H        LYS  87   1.487  -3.505 -19.280
  637    HA   LYS  87           HA       LYS  87   0.948  -4.905 -16.902
  638    HB2  LYS  87           2HB      LYS  87   2.947  -5.174 -18.365
  639    HB3  LYS  87           3HB      LYS  87   3.579  -3.619 -17.786
  640    HG2  LYS  87           2HG      LYS  87   3.678  -4.567 -15.480
  641    HG3  LYS  87           3HG      LYS  87   3.077  -6.105 -16.119
  642    HD2  LYS  87           2HD      LYS  87   5.701  -4.738 -16.860
  643    HD3  LYS  87           3HD      LYS  87   5.503  -6.154 -15.827
  644    HE2  LYS  87           2HE      LYS  87   4.402  -7.313 -17.847
  645    HE3  LYS  87           3HE      LYS  87   4.989  -5.956 -18.819
  646    HZ1  LYS  87           3HZ      LYS  87   7.258  -6.561 -18.017
  647    HZ2  LYS  87           1HZ      LYS  87   6.608  -7.896 -17.283
  648    HZ3  LYS  87           2HZ      LYS  87   6.555  -7.737 -18.906
  649    H    ILE  88           H        ILE  88   0.965  -4.327 -14.718
  650    HA   ILE  88           HA       ILE  88   0.224  -1.599 -14.157
  651    HB   ILE  88           HB       ILE  88   0.926  -3.877 -12.274
  652   HG12  ILE  88          2HG1      ILE  88  -0.809  -4.732 -13.694
  653   HG13  ILE  88          3HG1      ILE  88  -1.473  -4.399 -12.113
  654   HG21  ILE  88          1HG2      ILE  88  -0.846  -1.456 -11.730
  655   HG22  ILE  88          2HG2      ILE  88  -0.506  -2.783 -10.615
  656   HG23  ILE  88          3HG2      ILE  88   0.789  -1.689 -11.105
  657   HD11  ILE  88          3HD1      ILE  88  -2.548  -2.331 -12.971
  658   HD12  ILE  88          1HD1      ILE  88  -1.833  -2.625 -14.575
  659   HD13  ILE  88          2HD1      ILE  88  -3.023  -3.752 -13.909
  660    H    HIS  89           H        HIS  89   1.479  -0.051 -12.867
  661    HA   HIS  89           HA       HIS  89   4.342  -0.735 -12.564
  662    HD1  HIS  89           HD1      HIS  89   6.352  -0.826 -14.235
  663    HD2  HIS  89           HD2      HIS  89   5.787   3.303 -13.581
  664    HE1  HIS  89           HE1      HIS  89   8.672   0.230 -14.181
  665    HB2  HIS  89           2HB      HIS  89   3.810   0.472 -14.811
  666    HB3  HIS  89           3HB      HIS  89   3.572   1.905 -13.808
  667    H    VAL  90           H        VAL  90   5.458   0.693 -11.036
  668    HA   VAL  90           HA       VAL  90   3.683   2.375  -9.353
  669    HB   VAL  90           HB       VAL  90   5.690   0.475  -8.112
  670   HG11  VAL  90          1HG1      VAL  90   3.085   1.659  -7.039
  671   HG12  VAL  90          2HG1      VAL  90   4.373   0.866  -6.109
  672   HG13  VAL  90          3HG1      VAL  90   4.654   2.444  -6.877
  673   HG21  VAL  90          3HG2      VAL  90   2.771  -0.245  -8.638
  674   HG22  VAL  90          1HG2      VAL  90   4.209  -1.099  -9.243
  675   HG23  VAL  90          2HG2      VAL  90   3.855  -1.099  -7.517
  676    H    TYR  91           H        TYR  91   4.716   4.284  -8.782
  677    HA   TYR  91           HA       TYR  91   7.595   4.635  -8.807
  678    HD1  TYR  91           HD2      TYR  91   4.615   4.020 -11.633
  679    HD2  TYR  91           HD1      TYR  91   6.302   7.968 -11.290
  680    HE1  TYR  91           HE2      TYR  91   2.745   4.926 -12.959
  681    HE2  TYR  91           HE1      TYR  91   4.514   8.872 -12.716
  682    HH   TYR  91           HH       TYR  91   2.875   8.272 -14.262
  683    HB2  TYR  91           2HB      TYR  91   7.658   6.085 -10.771
  684    HB3  TYR  91           3HB      TYR  91   7.170   4.481 -11.235
  685    H    GLY  92           H        GLY  92   7.776   7.379  -9.015
  686    HA2  GLY  92           2HA      GLY  92   6.757   9.418  -8.541
  687    HA3  GLY  92           1HA      GLY  92   5.399   8.608  -7.773
  688    H    TYR  93           H        TYR  93   5.716  10.287  -6.114
  689    HA   TYR  93           HA       TYR  93   7.278   9.320  -3.923
  690    HD1  TYR  93           HD2      TYR  93   7.005  12.281  -6.752
  691    HD2  TYR  93           HD1      TYR  93   8.861  13.322  -2.993
  692    HE1  TYR  93           HE2      TYR  93   6.566  14.668  -7.198
  693    HE2  TYR  93           HE1      TYR  93   8.415  15.706  -3.427
  694    HH   TYR  93           HH       TYR  93   7.514  17.271  -4.905
  695    HB2  TYR  93           2HB      TYR  93   8.741  11.088  -3.575
  696    HB3  TYR  93           3HB      TYR  93   8.925  10.765  -5.277
  697    H    SER  94           H        SER  94   7.031  11.082  -2.076
  698    HA   SER  94           HA       SER  94   4.479  12.557  -2.138
  699    HG   SER  94           HG       SER  94   3.753  12.652   0.520
  700    HB2  SER  94           2HB      SER  94   3.788  10.724  -0.809
  701    HB3  SER  94           3HB      SER  94   5.409  10.444  -0.182
  702    H    MET  95           H        MET  95   4.726  14.469  -0.656
  703    HA   MET  95           HA       MET  95   7.608  15.220  -0.443
  704    HB2  MET  95           2HB      MET  95   6.915  17.483  -0.151
  705    HB3  MET  95           3HB      MET  95   6.255  16.834  -1.651
  706    HG2  MET  95           2HG      MET  95   4.070  16.526  -0.581
  707    HG3  MET  95           3HG      MET  95   4.689  17.124   0.950
  708    HE1  MET  95           3HE      MET  95   5.192  19.609   1.525
  709    HE2  MET  95           1HE      MET  95   6.444  19.697   0.263
  710    HE3  MET  95           2HE      MET  95   5.186  20.944   0.353
  711    H    ALA  96           H        ALA  96   4.609  14.622   1.488
  712    HA   ALA  96           HA       ALA  96   5.918  15.494   3.943
  713    HB1  ALA  96           3HB      ALA  96   3.508  15.623   3.760
  714    HB2  ALA  96           1HB      ALA  96   3.398  13.875   3.454
  715    HB3  ALA  96           2HB      ALA  96   3.934  14.471   5.039
  716    H    TYR  97           H        TYR  97   5.711  12.419   2.181
  717    HA   TYR  97           HA       TYR  97   7.099  11.059   4.450
  718    HD1  TYR  97           HD2      TYR  97   5.287  10.349   6.249
  719    HD2  TYR  97           HD1      TYR  97   3.073  11.155   2.634
  720    HE1  TYR  97           HE2      TYR  97   3.421  11.267   7.595
  721    HE2  TYR  97           HE1      TYR  97   1.201  12.003   3.952
  722    HH   TYR  97           HH       TYR  97   0.424  12.573   6.108
  723    HB2  TYR  97           2HB      TYR  97   5.096   9.868   2.516
  724    HB3  TYR  97           3HB      TYR  97   5.757   9.127   3.966
  725    H    GLY  98           H        GLY  98   7.614  11.966   1.204
  726    HA2  GLY  98           2HA      GLY  98   9.475  11.540  -0.075
  727    HA3  GLY  98           1HA      GLY  98  10.018  10.337   1.094
  728    HA   PRO  99           HA       PRO  99   8.273   8.108  -2.677
  729    HB2  PRO  99           2HB      PRO  99  10.583   6.974  -3.606
  730    HB3  PRO  99           3HB      PRO  99  10.008   8.584  -4.133
  731    HG2  PRO  99           2HG      PRO  99  12.081   7.942  -2.023
  732    HG3  PRO  99           3HG      PRO  99  12.166   9.169  -3.326
  733    HD2  PRO  99           2HD      PRO  99  11.454   9.783  -0.749
  734    HD3  PRO  99           3HD      PRO  99  10.753  10.642  -2.153
  735    H    ALA 100           H        ALA 100   7.593   6.068  -2.369
  736    HA   ALA 100           HA       ALA 100   8.284   4.571   0.009
  737    HB1  ALA 100           3HB      ALA 100   6.051   4.462  -1.096
  738    HB2  ALA 100           1HB      ALA 100   6.822   3.806  -2.547
  739    HB3  ALA 100           2HB      ALA 100   6.805   2.864  -1.043
  740    H    GLN 101           H        GLN 101   9.049   2.245  -0.154
  741    HA   GLN 101           HA       GLN 101  11.513   1.939  -1.585
  742    HB2  GLN 101           2HB      GLN 101   9.671  -0.194  -0.402
  743    HB3  GLN 101           3HB      GLN 101  11.318  -0.463  -0.954
  744    HG2  GLN 101           2HG      GLN 101  10.468   1.267   1.399
  745    HG3  GLN 101           3HG      GLN 101  11.238  -0.318   1.452
  746   HE21  GLN 101          2HE2      GLN 101  13.511  -0.493   0.556
  747   HE22  GLN 101          1HE2      GLN 101  14.542   0.910   0.646
  748    H    HIS 102           H        HIS 102   8.180   1.302  -2.451
  749    HA   HIS 102           HA       HIS 102   7.054   0.519  -4.156
  750    HD1  HIS 102           HD1      HIS 102   9.822   3.881  -5.540
  751    HD2  HIS 102           HD2      HIS 102   5.882   2.488  -5.076
  752    HE1  HIS 102           HE1      HIS 102   8.376   5.914  -5.165
  753    HB2  HIS 102           2HB      HIS 102   9.529   1.228  -5.735
  754    HB3  HIS 102           3HB      HIS 102   7.958   0.832  -6.433
  755    H    ALA 103           H        ALA 103  10.219  -1.074  -3.929
  756    HA   ALA 103           HA       ALA 103   9.741  -3.344  -5.458
  757    HB1  ALA 103           3HB      ALA 103  11.920  -2.721  -4.470
  758    HB2  ALA 103           1HB      ALA 103  11.297  -3.046  -2.836
  759    HB3  ALA 103           2HB      ALA 103  11.482  -4.377  -4.002
  760    H    ILE 104           H        ILE 104   8.849  -2.809  -1.982
  761    HA   ILE 104           HA       ILE 104   7.838  -5.427  -1.567
  762    HB   ILE 104           HB       ILE 104   6.748  -2.911  -0.266
  763   HG12  ILE 104          2HG1      ILE 104   9.427  -4.249   0.206
  764   HG13  ILE 104          3HG1      ILE 104   9.051  -2.540  -0.095
  765   HG21  ILE 104          1HG2      ILE 104   7.094  -5.756   0.753
  766   HG22  ILE 104          2HG2      ILE 104   6.366  -4.402   1.649
  767   HG23  ILE 104          3HG2      ILE 104   5.577  -5.003   0.198
  768   HD11  ILE 104          3HD1      ILE 104   7.932  -2.444   2.133
  769   HD12  ILE 104          1HD1      ILE 104   8.607  -4.062   2.464
  770   HD13  ILE 104          2HD1      ILE 104   9.689  -2.691   2.138
  771    H    SER 105           H        SER 105   6.203  -2.368  -2.541
  772    HA   SER 105           HA       SER 105   3.653  -3.262  -2.846
  773    HG   SER 105           HG       SER 105   4.785   0.219  -3.169
  774    HB2  SER 105           2HB      SER 105   4.862  -1.304  -4.795
  775    HB3  SER 105           3HB      SER 105   3.255  -1.290  -4.049
  776    H    THR 106           H        THR 106   6.269  -3.472  -5.423
  777    HA   THR 106           HA       THR 106   4.446  -4.512  -7.346
  778    HB   THR 106           HB       THR 106   6.670  -5.578  -8.263
  779    HG1  THR 106           1HG      THR 106   8.371  -5.139  -7.111
  780   HG21  THR 106          3HG2      THR 106   5.603  -3.804  -9.348
  781   HG22  THR 106          1HG2      THR 106   6.076  -2.613  -8.108
  782   HG23  THR 106          2HG2      THR 106   7.297  -3.351  -9.178
  783    H    GLU 107           H        GLU 107   6.618  -6.252  -5.008
  784    HA   GLU 107           HA       GLU 107   5.819  -8.804  -5.943
  785    HB2  GLU 107           2HB      GLU 107   6.819  -7.958  -3.194
  786    HB3  GLU 107           3HB      GLU 107   6.657  -9.631  -3.731
  787    HG2  GLU 107           2HG      GLU 107   8.479  -7.527  -4.980
  788    HG3  GLU 107           3HG      GLU 107   8.978  -8.845  -3.932
  789    H    LYS 108           H        LYS 108   4.357  -6.735  -3.386
  790    HA   LYS 108           HA       LYS 108   2.405  -8.733  -2.656
  791    HB2  LYS 108           2HB      LYS 108   2.319  -5.705  -2.330
  792    HB3  LYS 108           3HB      LYS 108   1.200  -6.850  -1.597
  793    HG2  LYS 108           2HG      LYS 108   4.120  -6.496  -0.916
  794    HG3  LYS 108           3HG      LYS 108   2.705  -6.192   0.081
  795    HD2  LYS 108           2HD      LYS 108   2.281  -8.805  -0.274
  796    HD3  LYS 108           3HD      LYS 108   3.978  -8.815  -0.737
  797    HE2  LYS 108           2HE      LYS 108   3.851  -9.380   1.577
  798    HE3  LYS 108           3HE      LYS 108   4.552  -7.760   1.484
  799    HZ1  LYS 108           3HZ      LYS 108   2.477  -6.844   2.244
  800    HZ2  LYS 108           1HZ      LYS 108   1.649  -8.215   1.956
  801    HZ3  LYS 108           2HZ      LYS 108   2.720  -8.149   3.183
  802    H    ILE 109           H        ILE 109   2.226  -5.981  -5.031
  803    HA   ILE 109           HA       ILE 109  -0.549  -6.509  -5.568
  804    HB   ILE 109           HB       ILE 109   1.532  -5.011  -7.199
  805   HG12  ILE 109          2HG1      ILE 109  -0.758  -3.863  -5.532
  806   HG13  ILE 109          3HG1      ILE 109   0.830  -4.115  -4.850
  807   HG21  ILE 109          1HG2      ILE 109  -1.526  -4.959  -7.482
  808   HG22  ILE 109          2HG2      ILE 109  -0.362  -4.035  -8.455
  809   HG23  ILE 109          3HG2      ILE 109  -0.451  -5.781  -8.613
  810   HD11  ILE 109          3HD1      ILE 109   1.821  -2.620  -6.596
  811   HD12  ILE 109          1HD1      ILE 109   0.180  -2.277  -7.193
  812   HD13  ILE 109          2HD1      ILE 109   0.636  -1.809  -5.554
  813    H    LYS 110           H        LYS 110   2.514  -7.768  -7.056
  814    HA   LYS 110           HA       LYS 110   1.249  -9.291  -9.122
  815    HB2  LYS 110           2HB      LYS 110   3.730  -9.935  -7.478
  816    HB3  LYS 110           3HB      LYS 110   3.225 -10.826  -8.912
  817    HG2  LYS 110           2HG      LYS 110   3.694  -9.017 -10.384
  818    HG3  LYS 110           3HG      LYS 110   3.926  -7.878  -9.053
  819    HD2  LYS 110           2HD      LYS 110   5.813  -9.304  -8.208
  820    HD3  LYS 110           3HD      LYS 110   5.648 -10.323  -9.650
  821    HE2  LYS 110           2HE      LYS 110   6.217  -8.393 -11.084
  822    HE3  LYS 110           3HE      LYS 110   6.242  -7.332  -9.673
  823    HZ1  LYS 110           3HZ      LYS 110   8.077  -8.703  -8.784
  824    HZ2  LYS 110           1HZ      LYS 110   8.109  -9.574 -10.172
  825    HZ3  LYS 110           2HZ      LYS 110   8.471  -7.983 -10.213
  826    H    ALA 111           H        ALA 111   1.933 -10.121  -5.654
  827    HA   ALA 111           HA       ALA 111   0.826 -12.736  -5.814
  828    HB1  ALA 111           3HB      ALA 111   2.316 -11.975  -3.990
  829    HB2  ALA 111           1HB      ALA 111   1.040 -10.887  -3.395
  830    HB3  ALA 111           2HB      ALA 111   0.797 -12.642  -3.362
  831    H    LYS 112           H        LYS 112  -0.702  -9.577  -5.064
  832    HA   LYS 112           HA       LYS 112  -3.264 -10.546  -4.296
  833    HB2  LYS 112           2HB      LYS 112  -2.430  -8.240  -3.924
  834    HB3  LYS 112           3HB      LYS 112  -2.516  -7.940  -5.660
  835    HG2  LYS 112           2HG      LYS 112  -4.443  -6.969  -4.716
  836    HG3  LYS 112           3HG      LYS 112  -4.976  -8.410  -5.581
  837    HD2  LYS 112           2HD      LYS 112  -5.218  -9.640  -3.453
  838    HD3  LYS 112           3HD      LYS 112  -4.578  -8.248  -2.564
  839    HE2  LYS 112           2HE      LYS 112  -6.504  -6.909  -3.755
  840    HE3  LYS 112           3HE      LYS 112  -7.195  -8.499  -4.096
  841    HZ1  LYS 112           3HZ      LYS 112  -7.110  -8.869  -1.628
  842    HZ2  LYS 112           1HZ      LYS 112  -6.663  -7.284  -1.452
  843    HZ3  LYS 112           2HZ      LYS 112  -8.116  -7.667  -2.082
  844    H    TYR 113           H        TYR 113  -1.977  -9.700  -7.563
  845    HA   TYR 113           HA       TYR 113  -4.337 -11.075  -8.741
  846    HD1  TYR 113           HD1      TYR 113  -6.842  -9.588  -8.723
  847    HD2  TYR 113           HD2      TYR 113  -4.133  -8.917 -12.009
  848    HE1  TYR 113           HE1      TYR 113  -8.707  -9.909 -10.315
  849    HE2  TYR 113           HE2      TYR 113  -5.992  -9.226 -13.613
  850    HH   TYR 113           HH       TYR 113  -9.354  -9.947 -12.556
  851    HB2  TYR 113           2HB      TYR 113  -4.644  -8.551  -8.381
  852    HB3  TYR 113           3HB      TYR 113  -3.489  -8.327  -9.677
  853    HA   PRO 114           HA       PRO 114  -0.265 -12.160 -10.630
  854    HB2  PRO 114           2HB      PRO 114  -0.510 -14.895 -10.703
  855    HB3  PRO 114           3HB      PRO 114  -0.039 -13.982  -9.239
  856    HG2  PRO 114           2HG      PRO 114  -2.805 -14.972 -10.003
  857    HG3  PRO 114           3HG      PRO 114  -1.948 -15.181  -8.440
  858    HD2  PRO 114           2HD      PRO 114  -3.762 -13.197  -8.812
  859    HD3  PRO 114           3HD      PRO 114  -2.277 -12.917  -7.854
  860    H    ASP 115           H        ASP 115  -3.498 -12.418 -11.747
  861    HA   ASP 115           HA       ASP 115  -2.970 -13.517 -14.373
  862    HB2  ASP 115           2HB      ASP 115  -5.227 -13.431 -13.392
  863    HB3  ASP 115           3HB      ASP 115  -5.167 -11.670 -13.388
  864    H    TYR 116           H        TYR 116  -2.226 -10.496 -12.825
  865    HA   TYR 116           HA       TYR 116  -1.383  -9.295 -15.428
  866    HD1  TYR 116           HD2      TYR 116  -3.426  -8.810 -16.121
  867    HD2  TYR 116           HD1      TYR 116  -3.673  -6.130 -12.741
  868    HE1  TYR 116           HE2      TYR 116  -5.654  -8.078 -16.867
  869    HE2  TYR 116           HE1      TYR 116  -5.907  -5.391 -13.485
  870    HH   TYR 116           HH       TYR 116  -7.588  -5.621 -15.087
  871    HB2  TYR 116           2HB      TYR 116  -1.999  -7.924 -12.782
  872    HB3  TYR 116           3HB      TYR 116  -1.331  -7.135 -14.194
  873    H    GLU 117           H        GLU 117   0.569  -7.731 -14.795
  874    HA   GLU 117           HA       GLU 117   2.384  -8.941 -12.830
  875    HB2  GLU 117           2HB      GLU 117   2.997  -9.992 -14.947
  876    HB3  GLU 117           3HB      GLU 117   3.127  -8.421 -15.743
  877    HG2  GLU 117           2HG      GLU 117   5.007  -7.793 -14.415
  878    HG3  GLU 117           3HG      GLU 117   4.775  -9.144 -13.285
  879    H    VAL 118           H        VAL 118   4.135  -7.320 -12.335
  880    HA   VAL 118           HA       VAL 118   3.169  -4.546 -12.549
  881    HB   VAL 118           HB       VAL 118   3.992  -5.749  -9.902
  882   HG11  VAL 118          1HG1      VAL 118   2.029  -3.490 -10.348
  883   HG12  VAL 118          2HG1      VAL 118   2.958  -3.885  -8.903
  884   HG13  VAL 118          3HG1      VAL 118   3.765  -3.204 -10.326
  885   HG21  VAL 118          3HG2      VAL 118   1.089  -5.691 -10.827
  886   HG22  VAL 118          1HG2      VAL 118   2.053  -7.152 -10.538
  887   HG23  VAL 118          2HG2      VAL 118   1.706  -6.083  -9.205
  888    H    THR 119           H        THR 119   4.970  -3.110 -12.594
  889    HA   THR 119           HA       THR 119   7.609  -4.130 -11.672
  890    HB   THR 119           HB       THR 119   8.569  -2.839 -13.668
  891    HG1  THR 119           1HG      THR 119   7.129  -2.717 -15.460
  892   HG21  THR 119          3HG2      THR 119   8.574  -5.286 -13.544
  893   HG22  THR 119          1HG2      THR 119   6.942  -5.356 -14.233
  894   HG23  THR 119          2HG2      THR 119   8.300  -4.740 -15.206
  895    H    TRP 120           H        TRP 120   9.184  -2.130 -11.494
  896    HA   TRP 120           HA       TRP 120   7.751   0.359 -10.987
  897    HD1  TRP 120           HD1      TRP 120   9.402  -2.980  -8.498
  898    HE1  TRP 120           HE1      TRP 120  11.664  -3.222  -7.363
  899    HE3  TRP 120           HE3      TRP 120  10.710   2.001  -8.235
  900    HZ2  TRP 120           HZ2      TRP 120  13.751  -1.490  -6.359
  901    HZ3  TRP 120           HZ3      TRP 120  12.829   2.635  -7.116
  902    HH2  TRP 120           HH2      TRP 120  14.350   0.923  -6.193
  903    HB2  TRP 120           2HB      TRP 120   8.515   0.729  -8.791
  904    HB3  TRP 120           3HB      TRP 120   7.727  -0.831  -8.771
  905    H    ALA 121           H        ALA 121   9.110   2.165 -11.064
  906    HA   ALA 121           HA       ALA 121  11.994   1.945 -11.173
  907    HB1  ALA 121           3HB      ALA 121  11.483   1.464 -13.565
  908    HB2  ALA 121           1HB      ALA 121  10.447   2.904 -13.645
  909    HB3  ALA 121           2HB      ALA 121  12.196   3.079 -13.389
  910    H    ASN 122           H        ASN 122  12.514   3.713  -9.866
  911    HA   ASN 122           HA       ASN 122  10.335   5.422  -9.161
  912    HB2  ASN 122           2HB      ASN 122  12.547   4.659  -7.784
  913    HB3  ASN 122           3HB      ASN 122  13.038   6.285  -8.238
  914   HD21  ASN 122          2HD2      ASN 122  10.824   7.849  -8.060
  915   HD22  ASN 122          1HD2      ASN 122   9.931   7.655  -6.558
  916    H    ASP 123           H        ASP 123  12.317   5.635 -11.835
  917    HA   ASP 123           HA       ASP 123  13.190   8.299 -12.011
  918    HB2  ASP 123           2HB      ASP 123  13.885   6.514 -13.544
  919    HB3  ASP 123           3HB      ASP 123  12.233   6.375 -14.160
  920    H    GLY 124           H        GLY 124   9.966   6.952 -12.508
  921    HA2  GLY 124           2HA      GLY 124   8.831   9.339 -13.750
  922    HA3  GLY 124           1HA      GLY 124   7.945   7.966 -13.076
  923    H    TYR 125           H        TYR 125   7.994  11.095 -12.714
  924    HA   TYR 125           HA       TYR 125   7.355  11.072  -9.837
  925    HD1  TYR 125           HD1      TYR 125   8.999  11.412  -7.773
  926    HD2  TYR 125           HD2      TYR 125  11.382  12.019 -11.316
  927    HE1  TYR 125           HE1      TYR 125  10.904  10.291  -6.669
  928    HE2  TYR 125           HE2      TYR 125  13.299  10.900 -10.221
  929    HH   TYR 125           HH       TYR 125  13.129   9.615  -6.865
  930    HB2  TYR 125           2HB      TYR 125   9.251  13.062 -11.152
  931    HB3  TYR 125           3HB      TYR 125   8.525  13.264  -9.569
  Start of MODEL   13
    1    HA   MET   1           HA       MET   1 -14.178  -5.576  18.057
    2    H1   MET   1           H1       MET   1 -16.250  -6.446  19.916
    3    H2   MET   1           H2       MET   1 -16.315  -6.369  18.285
    4    H3   MET   1           H3       MET   1 -16.327  -4.987  19.166
    5    HB2  MET   1           2HB      MET   1 -14.309  -3.876  19.835
    6    HB3  MET   1           3HB      MET   1 -14.182  -5.127  21.076
    7    HG2  MET   1           2HG      MET   1 -12.053  -3.949  20.683
    8    HG3  MET   1           3HG      MET   1 -11.921  -5.674  20.370
    9    HE1  MET   1           3HE      MET   1  -9.642  -3.688  19.466
   10    HE2  MET   1           1HE      MET   1  -9.651  -5.443  19.163
   11    HE3  MET   1           2HE      MET   1  -9.321  -4.314  17.833
   12    H    ALA   2           H        ALA   2 -12.485  -7.056  17.882
   13    HA   ALA   2           HA       ALA   2 -12.091  -9.140  19.866
   14    HB1  ALA   2           3HB      ALA   2 -13.681 -10.274  18.327
   15    HB2  ALA   2           1HB      ALA   2 -12.658  -9.836  16.937
   16    HB3  ALA   2           2HB      ALA   2 -12.053 -10.959  18.173
   17    H    VAL   3           H        VAL   3  -9.892 -10.011  19.598
   18    HA   VAL   3           HA       VAL   3  -8.086  -7.972  18.700
   19    HB   VAL   3           HB       VAL   3  -7.278 -10.822  19.393
   20   HG11  VAL   3          1HG1      VAL   3  -5.949  -8.101  19.831
   21   HG12  VAL   3          2HG1      VAL   3  -5.264  -9.684  20.259
   22   HG13  VAL   3          3HG1      VAL   3  -5.532  -9.269  18.564
   23   HG21  VAL   3          3HG2      VAL   3  -8.041  -8.616  21.351
   24   HG22  VAL   3          1HG2      VAL   3  -8.742 -10.242  21.233
   25   HG23  VAL   3          2HG2      VAL   3  -7.080 -10.046  21.779
   26    H    ALA   4           H        ALA   4  -7.221  -7.700  16.696
   27    HA   ALA   4           HA       ALA   4  -7.774  -9.578  14.523
   28    HB1  ALA   4           3HB      ALA   4  -7.813  -7.095  14.231
   29    HB2  ALA   4           1HB      ALA   4  -6.067  -7.048  14.576
   30    HB3  ALA   4           2HB      ALA   4  -6.673  -7.893  13.141
   31    H    ASP   5           H        ASP   5  -5.591  -9.745  13.009
   32    HA   ASP   5           HA       ASP   5  -3.140 -10.220  14.486
   33    HB2  ASP   5           2HB      ASP   5  -4.202 -12.454  14.679
   34    HB3  ASP   5           3HB      ASP   5  -4.483 -12.484  12.937
   35    H    LEU   6           H        LEU   6  -1.355 -10.063  12.978
   36    HA   LEU   6           HA       LEU   6  -1.773  -8.266  10.883
   37    HG   LEU   6           HG       LEU   6   0.259  -8.590  13.241
   38    HB2  LEU   6           2HB      LEU   6   0.543 -10.188  11.360
   39    HB3  LEU   6           3HB      LEU   6   0.569  -8.845  10.231
   40   HD11  LEU   6          1HD1      LEU   6   2.631  -7.951  11.439
   41   HD12  LEU   6          2HD1      LEU   6   2.549  -7.685  13.188
   42   HD13  LEU   6          3HD1      LEU   6   2.513  -9.331  12.549
   43   HD21  LEU   6          3HD2      LEU   6   0.515  -6.441  11.094
   44   HD22  LEU   6          1HD2      LEU   6  -0.854  -6.701  12.201
   45   HD23  LEU   6          2HD2      LEU   6   0.692  -6.151  12.837
   46    H    ALA   7           H        ALA   7  -1.736 -11.849  10.737
   47    HA   ALA   7           HA       ALA   7  -1.423 -11.995   7.914
   48    HB1  ALA   7           3HB      ALA   7  -0.974 -13.882   9.453
   49    HB2  ALA   7           1HB      ALA   7  -2.712 -13.981   9.832
   50    HB3  ALA   7           2HB      ALA   7  -2.137 -14.329   8.190
   51    H    LEU   8           H        LEU   8  -4.206 -11.246   9.935
   52    HA   LEU   8           HA       LEU   8  -6.202 -12.060   7.947
   53    HG   LEU   8           HG       LEU   8  -5.808 -12.733  11.019
   54    HB2  LEU   8           2HB      LEU   8  -6.471 -10.382  10.478
   55    HB3  LEU   8           3HB      LEU   8  -7.802 -10.991   9.508
   56   HD11  LEU   8          1HD1      LEU   8  -8.723 -12.077  11.622
   57   HD12  LEU   8          2HD1      LEU   8  -7.684 -13.195  12.536
   58   HD13  LEU   8          3HD1      LEU   8  -7.311 -11.468  12.510
   59   HD21  LEU   8          3HD2      LEU   8  -8.327 -13.488   9.473
   60   HD22  LEU   8          1HD2      LEU   8  -6.655 -13.945   9.069
   61   HD23  LEU   8          2HD2      LEU   8  -7.407 -14.579  10.533
   62    H    ILE   9           H        ILE   9  -4.288  -9.194   8.623
   63    HA   ILE   9           HA       ILE   9  -6.133  -7.271   7.606
   64    HB   ILE   9           HB       ILE   9  -3.109  -7.045   7.674
   65   HG12  ILE   9          2HG1      ILE   9  -5.115  -6.327   9.873
   66   HG13  ILE   9          3HG1      ILE   9  -4.019  -7.706   9.922
   67   HG21  ILE   9          1HG2      ILE   9  -5.293  -4.919   7.728
   68   HG22  ILE   9          2HG2      ILE   9  -3.543  -4.612   7.789
   69   HG23  ILE   9          3HG2      ILE   9  -4.258  -5.303   6.341
   70   HD11  ILE   9          3HD1      ILE   9  -2.068  -6.145   9.811
   71   HD12  ILE   9          1HD1      ILE   9  -3.211  -4.796  10.006
   72   HD13  ILE   9          2HD1      ILE   9  -3.067  -6.012  11.276
   73    HA   PRO  10           HA       PRO  10  -5.824  -8.315   3.193
   74    HB2  PRO  10           2HB      PRO  10  -6.345  -5.332   3.066
   75    HB3  PRO  10           3HB      PRO  10  -7.025  -6.630   2.028
   76    HG2  PRO  10           2HG      PRO  10  -8.491  -5.634   4.065
   77    HG3  PRO  10           3HG      PRO  10  -8.409  -7.414   3.836
   78    HD2  PRO  10           2HD      PRO  10  -6.877  -5.696   5.799
   79    HD3  PRO  10           3HD      PRO  10  -7.665  -7.283   6.052
   80    H    ASP  11           H        ASP  11  -3.904  -8.575   2.182
   81    HA   ASP  11           HA       ASP  11  -1.561  -7.084   2.889
   82    HB2  ASP  11           2HB      ASP  11  -1.681  -9.494   2.210
   83    HB3  ASP  11           3HB      ASP  11  -2.038  -8.985   0.557
   84    H    VAL  12           H        VAL  12  -3.765  -6.999   0.098
   85    HA   VAL  12           HA       VAL  12  -2.675  -4.380  -0.748
   86    HB   VAL  12           HB       VAL  12  -3.311  -6.716  -2.597
   87   HG11  VAL  12          1HG1      VAL  12  -2.316  -3.912  -3.286
   88   HG12  VAL  12          2HG1      VAL  12  -2.559  -5.252  -4.430
   89   HG13  VAL  12          3HG1      VAL  12  -3.946  -4.546  -3.608
   90   HG21  VAL  12          3HG2      VAL  12  -0.626  -5.427  -1.978
   91   HG22  VAL  12          1HG2      VAL  12  -1.122  -7.094  -1.624
   92   HG23  VAL  12          2HG2      VAL  12  -0.928  -6.580  -3.295
   93    H    ASP  13           H        ASP  13  -4.395  -2.971  -1.118
   94    HA   ASP  13           HA       ASP  13  -6.988  -3.966  -1.935
   95    HB2  ASP  13           2HB      ASP  13  -7.177  -4.089   0.592
   96    HB3  ASP  13           3HB      ASP  13  -6.789  -2.378   0.666
   97    H    ILE  14           H        ILE  14  -7.516  -2.506  -3.520
   98    HA   ILE  14           HA       ILE  14  -6.617   0.274  -3.382
   99    HB   ILE  14           HB       ILE  14  -5.502   0.083  -5.610
  100   HG12  ILE  14          2HG1      ILE  14  -5.618  -2.939  -5.192
  101   HG13  ILE  14          3HG1      ILE  14  -6.561  -2.030  -6.375
  102   HG21  ILE  14          1HG2      ILE  14  -4.076  -1.683  -3.590
  103   HG22  ILE  14          2HG2      ILE  14  -3.361  -0.627  -4.826
  104   HG23  ILE  14          3HG2      ILE  14  -4.210   0.080  -3.456
  105   HD11  ILE  14          3HD1      ILE  14  -4.432  -1.285  -7.461
  106   HD12  ILE  14          1HD1      ILE  14  -3.536  -2.352  -6.349
  107   HD13  ILE  14          2HD1      ILE  14  -4.693  -3.040  -7.496
  108    H    ASP  15           H        ASP  15  -7.407   1.454  -5.386
  109    HA   ASP  15           HA       ASP  15  -9.739   0.142  -6.713
  110    HB2  ASP  15           2HB      ASP  15 -10.767   1.706  -5.210
  111    HB3  ASP  15           3HB      ASP  15  -9.644   2.992  -5.683
  112    H    SER  16           H        SER  16  -8.648  -0.399  -8.470
  113    HA   SER  16           HA       SER  16  -6.533   0.969  -9.661
  114    HG   SER  16           HG       SER  16  -6.825  -2.619  -9.724
  115    HB2  SER  16           2HB      SER  16  -8.266  -1.229 -10.836
  116    HB3  SER  16           3HB      SER  16  -6.565  -0.878 -11.203
  117    H    ASP  17           H        ASP  17  -8.259   3.012  -9.666
  118    HA   ASP  17           HA       ASP  17 -10.213   3.211 -11.640
  119    HB2  ASP  17           2HB      ASP  17  -9.909   4.737  -9.701
  120    HB3  ASP  17           3HB      ASP  17  -8.517   5.470 -10.505
  121    H    GLY  18           H        GLY  18  -6.749   3.960 -11.929
  122    HA2  GLY  18           2HA      GLY  18  -6.314   3.328 -14.509
  123    HA3  GLY  18           1HA      GLY  18  -6.935   4.984 -14.671
  124    H    VAL  19           H        VAL  19  -5.942   6.471 -12.767
  125    HA   VAL  19           HA       VAL  19  -3.116   5.882 -12.195
  126    HB   VAL  19           HB       VAL  19  -4.076   8.512 -13.409
  127   HG11  VAL  19          1HG1      VAL  19  -1.277   7.568 -12.620
  128   HG12  VAL  19          2HG1      VAL  19  -1.666   9.109 -13.419
  129   HG13  VAL  19          3HG1      VAL  19  -2.235   8.805 -11.777
  130   HG21  VAL  19          3HG2      VAL  19  -2.401   6.302 -14.652
  131   HG22  VAL  19          1HG2      VAL  19  -3.962   6.924 -15.227
  132   HG23  VAL  19          2HG2      VAL  19  -2.532   7.951 -15.317
  133    H    PHE  20           H        PHE  20  -2.913   6.191 -10.009
  134    HA   PHE  20           HA       PHE  20  -4.373   8.251  -8.559
  135    HD1  PHE  20           HD2      PHE  20  -5.350   4.660 -10.258
  136    HD2  PHE  20           HD1      PHE  20  -4.573   4.676  -6.026
  137    HE1  PHE  20           HE2      PHE  20  -4.730   2.265 -10.365
  138    HE2  PHE  20           HE1      PHE  20  -4.059   2.251  -6.112
  139    HZ   PHE  20           HZ       PHE  20  -4.113   1.045  -8.285
  140    HB2  PHE  20           2HB      PHE  20  -5.501   6.650  -7.063
  141    HB3  PHE  20           3HB      PHE  20  -6.142   6.573  -8.690
  142    H    LYS  21           H        LYS  21  -3.579   8.423  -6.380
  143    HA   LYS  21           HA       LYS  21  -0.796   7.608  -6.098
  144    HB2  LYS  21           2HB      LYS  21  -2.718   9.247  -4.411
  145    HB3  LYS  21           3HB      LYS  21  -1.069   8.883  -3.909
  146    HG2  LYS  21           2HG      LYS  21  -0.142   9.982  -5.891
  147    HG3  LYS  21           3HG      LYS  21  -1.768  10.266  -6.538
  148    HD2  LYS  21           2HD      LYS  21  -2.302  11.684  -4.590
  149    HD3  LYS  21           3HD      LYS  21  -0.655  11.466  -3.968
  150    HE2  LYS  21           2HE      LYS  21   0.270  12.472  -6.045
  151    HE3  LYS  21           3HE      LYS  21  -1.362  12.622  -6.708
  152    HZ1  LYS  21           3HZ      LYS  21  -1.890  14.149  -4.893
  153    HZ2  LYS  21           1HZ      LYS  21  -0.336  14.078  -4.344
  154    HZ3  LYS  21           2HZ      LYS  21  -0.657  14.712  -5.812
  155    H    TYR  22           H        TYR  22   0.011   6.526  -4.206
  156    HA   TYR  22           HA       TYR  22  -1.813   4.774  -2.743
  157    HD1  TYR  22           HD2      TYR  22   1.748   4.463  -5.158
  158    HD2  TYR  22           HD1      TYR  22   0.112   1.508  -2.488
  159    HE1  TYR  22           HE2      TYR  22   4.035   3.809  -4.486
  160    HE2  TYR  22           HE1      TYR  22   2.395   0.809  -1.842
  161    HH   TYR  22           HH       TYR  22   4.651   1.206  -2.088
  162    HB2  TYR  22           2HB      TYR  22  -1.320   2.853  -3.816
  163    HB3  TYR  22           3HB      TYR  22  -0.734   3.832  -5.133
  164    H    VAL  23           H        VAL  23  -0.507   3.617  -0.990
  165    HA   VAL  23           HA       VAL  23   2.124   4.786  -0.414
  166    HB   VAL  23           HB       VAL  23   1.557   5.034   2.007
  167   HG11  VAL  23          1HG1      VAL  23   0.068   6.934   0.165
  168   HG12  VAL  23          2HG1      VAL  23   0.563   7.261   1.842
  169   HG13  VAL  23          3HG1      VAL  23   1.786   7.000   0.595
  170   HG21  VAL  23          3HG2      VAL  23  -1.336   4.875   1.084
  171   HG22  VAL  23          1HG2      VAL  23  -0.509   3.719   2.120
  172   HG23  VAL  23          2HG2      VAL  23  -0.781   5.376   2.694
  173    H    LEU  24           H        LEU  24   3.337   3.573   1.062
  174    HA   LEU  24           HA       LEU  24   2.605   0.680   1.215
  175    HG   LEU  24           HG       LEU  24   6.304  -0.126   0.910
  176    HB2  LEU  24           2HB      LEU  24   4.727   1.573  -0.075
  177    HB3  LEU  24           3HB      LEU  24   5.372   1.933   1.501
  178   HD11  LEU  24          1HD1      LEU  24   3.920  -1.117   2.515
  179   HD12  LEU  24          2HD1      LEU  24   5.563  -1.774   2.451
  180   HD13  LEU  24          3HD1      LEU  24   5.281  -0.211   3.227
  181   HD21  LEU  24          3HD2      LEU  24   3.547  -0.974  -0.047
  182   HD22  LEU  24          1HD2      LEU  24   4.991  -0.632  -1.025
  183   HD23  LEU  24          2HD2      LEU  24   4.956  -2.049   0.026
  184    H    ILE  25           H        ILE  25   2.064   0.144   3.371
  185    HA   ILE  25           HA       ILE  25   3.051   1.977   5.525
  186    HB   ILE  25           HB       ILE  25   0.328   0.667   5.311
  187   HG12  ILE  25          2HG1      ILE  25   1.101   3.614   5.199
  188   HG13  ILE  25          3HG1      ILE  25   0.572   2.636   3.831
  189   HG21  ILE  25          1HG2      ILE  25   1.483   2.450   7.498
  190   HG22  ILE  25          2HG2      ILE  25  -0.189   1.838   7.434
  191   HG23  ILE  25          3HG2      ILE  25   1.128   0.712   7.638
  192   HD11  ILE  25          3HD1      ILE  25  -1.625   2.247   4.990
  193   HD12  ILE  25          1HD1      ILE  25  -1.126   3.434   6.224
  194   HD13  ILE  25          2HD1      ILE  25  -1.310   3.933   4.543
  195    H    ARG  26           H        ARG  26   4.257   1.012   6.962
  196    HA   ARG  26           HA       ARG  26   4.412  -1.936   7.119
  197    HE   ARG  26           HE       ARG  26   7.984   0.237   9.577
  198    HB2  ARG  26           2HB      ARG  26   6.472  -0.519   7.158
  199    HB3  ARG  26           3HB      ARG  26   5.909   0.268   8.632
  200    HG2  ARG  26           2HG      ARG  26   6.141  -1.728   9.922
  201    HG3  ARG  26           3HG      ARG  26   6.187  -2.756   8.489
  202    HD2  ARG  26           2HD      ARG  26   8.385  -2.613   9.511
  203    HD3  ARG  26           3HD      ARG  26   8.385  -1.951   7.870
  204   HH11  ARG  26          1HH2      ARG  26  10.510  -2.224   9.134
  205   HH12  ARG  26          2HH2      ARG  26  11.808  -1.168   9.545
  206   HH21  ARG  26          1HH1      ARG  26   9.732   1.690   9.998
  207   HH22  ARG  26          2HH1      ARG  26  11.350   1.079  10.096
  208    H    VAL  27           H        VAL  27   3.778  -3.008   9.007
  209    HA   VAL  27           HA       VAL  27   2.022  -1.586  10.926
  210    HB   VAL  27           HB       VAL  27   1.509  -4.333   9.696
  211   HG11  VAL  27          1HG1      VAL  27  -0.372  -2.423  11.141
  212   HG12  VAL  27          2HG1      VAL  27  -0.762  -4.046  10.553
  213   HG13  VAL  27          3HG1      VAL  27   0.400  -3.843  11.869
  214   HG21  VAL  27          3HG2      VAL  27   0.276  -1.728   8.721
  215   HG22  VAL  27          1HG2      VAL  27   1.308  -2.836   7.786
  216   HG23  VAL  27          2HG2      VAL  27  -0.290  -3.361   8.298
  217    H    HIS  28           H        HIS  28   2.282  -2.436  13.032
  218    HA   HIS  28           HA       HIS  28   4.145  -4.739  13.433
  219    HD1  HIS  28           HD1      HIS  28   6.906  -3.738  13.215
  220    HD2  HIS  28           HD2      HIS  28   4.659  -0.217  13.750
  221    HE1  HIS  28           HE1      HIS  28   8.151  -1.893  11.975
  222    HB2  HIS  28           2HB      HIS  28   3.885  -2.263  15.186
  223    HB3  HIS  28           3HB      HIS  28   5.024  -3.595  15.377
  224    H    SER  29           H        SER  29   3.314  -6.233  15.020
  225    HA   SER  29           HA       SER  29   0.487  -6.092  15.390
  226    HG   SER  29           HG       SER  29   2.911  -9.161  16.248
  227    HB2  SER  29           2HB      SER  29   0.965  -8.119  16.936
  228    HB3  SER  29           3HB      SER  29   1.185  -8.242  15.195
  229    H    ALA  30           H        ALA  30  -0.528  -4.852  16.703
  230    HA   ALA  30           HA       ALA  30   0.009  -4.970  19.558
  231    HB1  ALA  30           3HB      ALA  30   1.277  -2.952  18.873
  232    HB2  ALA  30           1HB      ALA  30  -0.178  -2.286  18.107
  233    HB3  ALA  30           2HB      ALA  30  -0.120  -2.516  19.866
  234    HA   PRO  31           HA       PRO  31  -4.403  -4.292  17.735
  235    HB2  PRO  31           2HB      PRO  31  -5.551  -6.807  17.601
  236    HB3  PRO  31           3HB      PRO  31  -4.784  -5.927  16.246
  237    HG2  PRO  31           2HG      PRO  31  -3.574  -8.062  18.004
  238    HG3  PRO  31           3HG      PRO  31  -3.449  -7.873  16.229
  239    HD2  PRO  31           2HD      PRO  31  -1.468  -7.054  17.895
  240    HD3  PRO  31           3HD      PRO  31  -1.898  -6.156  16.410
  241    H    ARG  32           H        ARG  32  -6.363  -4.403  18.920
  242    HA   ARG  32           HA       ARG  32  -7.432  -3.867  20.787
  243    HE   ARG  32           HE       ARG  32  -6.769  -5.032  24.321
  244    HB2  ARG  32           2HB      ARG  32  -7.522  -6.446  20.725
  245    HB3  ARG  32           3HB      ARG  32  -6.380  -6.408  22.063
  246    HG2  ARG  32           2HG      ARG  32  -8.525  -4.609  22.757
  247    HG3  ARG  32           3HG      ARG  32  -9.281  -6.002  21.997
  248    HD2  ARG  32           2HD      ARG  32  -9.199  -6.427  24.348
  249    HD3  ARG  32           3HD      ARG  32  -8.003  -7.497  23.590
  250   HH11  ARG  32          1HH2      ARG  32  -8.021  -7.976  25.871
  251   HH12  ARG  32          2HH2      ARG  32  -7.031  -7.828  27.275
  252   HH21  ARG  32          1HH1      ARG  32  -5.512  -4.792  26.207
  253   HH22  ARG  32          2HH1      ARG  32  -5.553  -5.974  27.461
  254    H    SER  33           H        SER  33  -4.464  -3.112  20.569
  255    HA   SER  33           HA       SER  33  -2.809  -2.194  21.717
  256    HG   SER  33           HG       SER  33  -5.113   0.495  22.197
  257    HB2  SER  33           2HB      SER  33  -4.984  -1.293  23.638
  258    HB3  SER  33           3HB      SER  33  -3.412  -0.521  23.360
  259    H    GLY  34           H        GLY  34  -3.330  -5.021  22.340
  260    HA2  GLY  34           2HA      GLY  34  -1.778  -5.233  24.810
  261    HA3  GLY  34           1HA      GLY  34  -3.473  -5.695  24.988
  262    H    ALA  35           H        ALA  35  -2.635  -6.613  21.821
  263    HA   ALA  35           HA       ALA  35  -2.515  -9.369  22.378
  264    HB1  ALA  35           3HB      ALA  35  -3.060  -8.419  20.180
  265    HB2  ALA  35           1HB      ALA  35  -1.386  -7.835  20.003
  266    HB3  ALA  35           2HB      ALA  35  -1.724  -9.579  20.046
  267    HA   PRO  36           HA       PRO  36   1.635  -9.669  23.923
  268    HB2  PRO  36           2HB      PRO  36   2.089 -12.358  23.876
  269    HB3  PRO  36           3HB      PRO  36   0.841 -11.613  24.920
  270    HG2  PRO  36           2HG      PRO  36   0.457 -12.884  22.186
  271    HG3  PRO  36           3HG      PRO  36  -0.462 -13.208  23.692
  272    HD2  PRO  36           2HD      PRO  36  -1.366 -11.460  21.800
  273    HD3  PRO  36           3HD      PRO  36  -1.609 -11.153  23.547
  274    H    ALA  37           H        ALA  37   0.983 -10.574  20.620
  275    HA   ALA  37           HA       ALA  37   3.544 -11.536  19.840
  276    HB1  ALA  37           3HB      ALA  37   1.483 -11.862  18.514
  277    HB2  ALA  37           1HB      ALA  37   1.402 -10.112  18.199
  278    HB3  ALA  37           2HB      ALA  37   2.747 -11.078  17.553
  279    H    ALA  38           H        ALA  38   5.114 -10.461  18.478
  280    HA   ALA  38           HA       ALA  38   5.227  -7.552  18.369
  281    HB1  ALA  38           3HB      ALA  38   6.241  -7.937  20.577
  282    HB2  ALA  38           1HB      ALA  38   7.358  -9.134  19.883
  283    HB3  ALA  38           2HB      ALA  38   7.468  -7.423  19.404
  284    H    GLU  39           H        GLU  39   4.865  -8.203  16.202
  285    HA   GLU  39           HA       GLU  39   7.246  -9.038  14.673
  286    HB2  GLU  39           2HB      GLU  39   4.458 -10.276  14.420
  287    HB3  GLU  39           3HB      GLU  39   5.769 -10.481  13.255
  288    HG2  GLU  39           2HG      GLU  39   7.172 -11.521  15.050
  289    HG3  GLU  39           3HG      GLU  39   5.788 -11.436  16.146
  290    H    SER  40           H        SER  40   6.514  -8.649  12.198
  291    HA   SER  40           HA       SER  40   4.829  -6.235  12.017
  292    HG   SER  40           HG       SER  40   8.390  -5.606  12.678
  293    HB2  SER  40           2HB      SER  40   7.627  -6.334  10.886
  294    HB3  SER  40           3HB      SER  40   6.545  -4.945  10.938
  295    H    LYS  41           H        LYS  41   4.363  -5.629   9.821
  296    HA   LYS  41           HA       LYS  41   4.552  -7.597   7.661
  297    HB2  LYS  41           2HB      LYS  41   2.762  -8.496   9.062
  298    HB3  LYS  41           3HB      LYS  41   1.981  -6.932   9.176
  299    HG2  LYS  41           2HG      LYS  41   2.232  -7.945   6.381
  300    HG3  LYS  41           3HG      LYS  41   1.341  -9.016   7.460
  301    HD2  LYS  41           2HD      LYS  41  -0.155  -7.175   8.147
  302    HD3  LYS  41           3HD      LYS  41   0.741  -6.053   7.128
  303    HE2  LYS  41           2HE      LYS  41  -1.319  -6.666   6.064
  304    HE3  LYS  41           3HE      LYS  41   0.036  -7.264   5.099
  305    HZ1  LYS  41           3HZ      LYS  41  -0.470  -9.465   5.761
  306    HZ2  LYS  41           1HZ      LYS  41  -1.416  -8.996   7.024
  307    HZ3  LYS  41           2HZ      LYS  41  -1.955  -8.798   5.504
  308    H    GLU  42           H        GLU  42   3.309  -6.466   5.681
  309    HA   GLU  42           HA       GLU  42   3.185  -3.532   6.040
  310    HB2  GLU  42           2HB      GLU  42   4.616  -4.837   3.690
  311    HB3  GLU  42           3HB      GLU  42   4.337  -3.132   3.967
  312    HG2  GLU  42           2HG      GLU  42   6.589  -3.440   4.468
  313    HG3  GLU  42           3HG      GLU  42   5.800  -3.286   6.029
  314    H    ILE  43           H        ILE  43   1.847  -2.518   4.414
  315    HA   ILE  43           HA       ILE  43   0.115  -4.319   2.835
  316    HB   ILE  43           HB       ILE  43  -1.862  -3.013   3.551
  317   HG12  ILE  43          2HG1      ILE  43  -0.082  -1.848   5.722
  318   HG13  ILE  43          3HG1      ILE  43  -0.815  -0.976   4.370
  319   HG21  ILE  43          1HG2      ILE  43  -0.526  -4.393   5.892
  320   HG22  ILE  43          2HG2      ILE  43  -2.266  -4.260   5.552
  321   HG23  ILE  43          3HG2      ILE  43  -1.250  -5.226   4.486
  322   HD11  ILE  43          3HD1      ILE  43  -3.077  -1.474   5.285
  323   HD12  ILE  43          1HD1      ILE  43  -2.329  -2.267   6.689
  324   HD13  ILE  43          2HD1      ILE  43  -2.064  -0.547   6.403
  325    H    VAL  44           H        VAL  44  -0.916  -3.327   1.097
  326    HA   VAL  44           HA       VAL  44   0.321  -0.787   0.109
  327    HB   VAL  44           HB       VAL  44  -0.828  -3.171  -1.414
  328   HG11  VAL  44          1HG1      VAL  44   0.847  -0.865  -2.465
  329   HG12  VAL  44          2HG1      VAL  44   0.187  -2.219  -3.397
  330   HG13  VAL  44          3HG1      VAL  44  -0.912  -1.034  -2.689
  331   HG21  VAL  44          3HG2      VAL  44   2.096  -2.493  -0.929
  332   HG22  VAL  44          1HG2      VAL  44   1.215  -3.910  -0.316
  333   HG23  VAL  44          2HG2      VAL  44   1.496  -3.732  -2.049
  334    H    ARG  45           H        ARG  45  -1.132   0.884  -0.069
  335    HA   ARG  45           HA       ARG  45  -4.056   0.314  -0.391
  336    HE   ARG  45           HE       ARG  45  -4.271  -1.287   0.936
  337    HB2  ARG  45           2HB      ARG  45  -2.752   2.476   1.325
  338    HB3  ARG  45           3HB      ARG  45  -4.478   2.302   1.061
  339    HG2  ARG  45           2HG      ARG  45  -2.724   0.316   2.583
  340    HG3  ARG  45           3HG      ARG  45  -3.688   1.601   3.267
  341    HD2  ARG  45           2HD      ARG  45  -5.144  -0.168   3.559
  342    HD3  ARG  45           3HD      ARG  45  -5.712   0.426   2.001
  343   HH11  ARG  45          1HH2      ARG  45  -5.523  -2.006   4.211
  344   HH12  ARG  45          2HH2      ARG  45  -4.890  -3.620   4.197
  345   HH21  ARG  45          1HH1      ARG  45  -3.414  -3.308   1.013
  346   HH22  ARG  45          2HH1      ARG  45  -3.729  -4.398   2.356
  347    H    GLY  46           H        GLY  46  -5.079   1.817  -1.860
  348    HA2  GLY  46           2HA      GLY  46  -4.055   4.369  -2.437
  349    HA3  GLY  46           1HA      GLY  46  -3.454   3.277  -3.692
  350    H    TYR  47           H        TYR  47  -5.668   5.512  -3.424
  351    HA   TYR  47           HA       TYR  47  -7.660   4.180  -5.121
  352    HD1  TYR  47           HD2      TYR  47  -7.066   4.718  -0.964
  353    HD2  TYR  47           HD1      TYR  47  -9.631   2.160  -3.282
  354    HE1  TYR  47           HE2      TYR  47  -6.750   2.902   0.704
  355    HE2  TYR  47           HE1      TYR  47  -9.324   0.338  -1.638
  356    HH   TYR  47           HH       TYR  47  -8.376  -0.288   0.382
  357    HB2  TYR  47           2HB      TYR  47  -8.605   5.624  -2.628
  358    HB3  TYR  47           3HB      TYR  47  -9.534   4.598  -3.699
  359    H    LYS  48           H        LYS  48  -8.934   5.815  -6.256
  360    HA   LYS  48           HA       LYS  48  -7.575   8.235  -6.756
  361    HB2  LYS  48           2HB      LYS  48  -9.619   8.952  -7.964
  362    HB3  LYS  48           3HB      LYS  48  -9.024   7.364  -8.439
  363    HG2  LYS  48           2HG      LYS  48 -10.777   6.233  -7.285
  364    HG3  LYS  48           3HG      LYS  48 -11.294   7.689  -6.425
  365    HD2  LYS  48           2HD      LYS  48 -12.149   8.711  -8.385
  366    HD3  LYS  48           3HD      LYS  48 -11.389   7.541  -9.457
  367    HE2  LYS  48           2HE      LYS  48 -13.535   6.800  -7.415
  368    HE3  LYS  48           3HE      LYS  48 -13.895   7.279  -9.077
  369    HZ1  LYS  48           3HZ      LYS  48 -12.535   5.426  -9.850
  370    HZ2  LYS  48           1HZ      LYS  48 -12.287   4.908  -8.295
  371    HZ3  LYS  48           2HZ      LYS  48 -13.794   4.910  -8.932
  372    H    TRP  49           H        TRP  49 -10.035   7.613  -4.242
  373    HA   TRP  49           HA       TRP  49 -10.658  10.372  -3.858
  374    HD1  TRP  49           HD1      TRP  49 -12.589   6.449  -2.987
  375    HE1  TRP  49           HE1      TRP  49 -11.922   4.483  -1.512
  376    HE3  TRP  49           HE3      TRP  49  -9.101   8.787  -0.041
  377    HZ2  TRP  49           HZ2      TRP  49 -10.110   3.979   0.708
  378    HZ3  TRP  49           HZ3      TRP  49  -7.826   7.510   1.626
  379    HH2  TRP  49           HH2      TRP  49  -8.285   5.077   1.983
  380    HB2  TRP  49           2HB      TRP  49 -11.483   9.635  -1.607
  381    HB3  TRP  49           3HB      TRP  49 -12.225   8.927  -3.018
  382    H    ALA  50           H        ALA  50  -7.860   8.470  -2.816
  383    HA   ALA  50           HA       ALA  50  -6.969  10.617  -1.016
  384    HB1  ALA  50           3HB      ALA  50  -6.448   8.409  -0.303
  385    HB2  ALA  50           1HB      ALA  50  -5.657   8.016  -1.862
  386    HB3  ALA  50           2HB      ALA  50  -4.963   9.244  -0.771
  387    H    GLU  51           H        GLU  51  -7.246  12.184  -2.783
  388    HA   GLU  51           HA       GLU  51  -5.492  12.198  -5.043
  389    HB2  GLU  51           2HB      GLU  51  -7.645  13.465  -4.734
  390    HB3  GLU  51           3HB      GLU  51  -6.831  14.539  -3.594
  391    HG2  GLU  51           2HG      GLU  51  -5.362  15.369  -5.373
  392    HG3  GLU  51           3HG      GLU  51  -5.972  14.148  -6.495
  393    H    TYR  52           H        TYR  52  -4.699  12.412  -1.766
  394    HA   TYR  52           HA       TYR  52  -2.019  13.414  -2.362
  395    HD1  TYR  52           HD1      TYR  52  -4.930  15.674  -2.042
  396    HD2  TYR  52           HD2      TYR  52  -3.735  14.253   1.836
  397    HE1  TYR  52           HE1      TYR  52  -7.145  16.354  -1.129
  398    HE2  TYR  52           HE2      TYR  52  -5.928  14.934   2.777
  399    HH   TYR  52           HH       TYR  52  -8.496  16.459   0.770
  400    HB2  TYR  52           2HB      TYR  52  -2.129  14.447   0.052
  401    HB3  TYR  52           3HB      TYR  52  -2.531  15.361  -1.384
  402    H    HIS  53           H        HIS  53  -0.439  12.431  -0.766
  403    HA   HIS  53           HA       HIS  53  -1.195   9.606  -0.574
  404    HD2  HIS  53           HD2      HIS  53   1.801  12.541  -1.793
  405    HE1  HIS  53           HE1      HIS  53   2.248   9.445  -4.661
  406    HE2  HIS  53           HE2      HIS  53   2.631  11.910  -4.204
  407    HB2  HIS  53           2HB      HIS  53   1.374  10.977   0.319
  408    HB3  HIS  53           3HB      HIS  53   1.121   9.270   0.049
  409    H    ALA  54           H        ALA  54  -0.523  12.400   1.539
  410    HA   ALA  54           HA       ALA  54  -0.623  11.118   4.030
  411    HB1  ALA  54           3HB      ALA  54  -0.073  13.509   3.725
  412    HB2  ALA  54           1HB      ALA  54  -1.770  13.850   3.309
  413    HB3  ALA  54           2HB      ALA  54  -1.349  13.290   4.939
  414    H    ASP  55           H        ASP  55  -3.364  11.574   1.795
  415    HA   ASP  55           HA       ASP  55  -5.380  11.534   3.848
  416    HB2  ASP  55           2HB      ASP  55  -5.675  12.305   1.403
  417    HB3  ASP  55           3HB      ASP  55  -5.754  10.616   0.982
  418    H    ILE  56           H        ILE  56  -4.030   8.983   1.689
  419    HA   ILE  56           HA       ILE  56  -5.621   6.888   2.867
  420    HB   ILE  56           HB       ILE  56  -3.476   5.516   1.900
  421   HG12  ILE  56          2HG1      ILE  56  -3.439   8.077   0.300
  422   HG13  ILE  56          3HG1      ILE  56  -2.124   7.153   1.021
  423   HG21  ILE  56          1HG2      ILE  56  -5.875   6.362   0.295
  424   HG22  ILE  56          2HG2      ILE  56  -4.882   4.902   0.073
  425   HG23  ILE  56          3HG2      ILE  56  -5.820   5.096   1.545
  426   HD11  ILE  56          3HD1      ILE  56  -2.599   5.359  -0.704
  427   HD12  ILE  56          1HD1      ILE  56  -3.786   6.462  -1.437
  428   HD13  ILE  56          2HD1      ILE  56  -2.078   6.922  -1.375
  429    H    TYR  57           H        TYR  57  -2.364   8.256   3.582
  430    HA   TYR  57           HA       TYR  57  -1.767   6.179   5.442
  431    HD1  TYR  57           HD1      TYR  57   0.099   5.529   6.490
  432    HD2  TYR  57           HD2      TYR  57   0.300   9.736   7.426
  433    HE1  TYR  57           HE1      TYR  57   1.213   4.983   8.612
  434    HE2  TYR  57           HE2      TYR  57   1.447   9.204   9.553
  435    HH   TYR  57           HH       TYR  57   2.101   5.838  10.623
  436    HB2  TYR  57           2HB      TYR  57  -0.008   7.700   4.666
  437    HB3  TYR  57           3HB      TYR  57  -0.809   9.064   5.453
  438    H    ASP  58           H        ASP  58  -3.343   9.430   5.993
  439    HA   ASP  58           HA       ASP  58  -3.727   9.045   8.759
  440    HB2  ASP  58           2HB      ASP  58  -3.993  11.215   7.692
  441    HB3  ASP  58           3HB      ASP  58  -5.368  10.628   6.749
  442    H    LYS  59           H        LYS  59  -5.900   8.213   6.029
  443    HA   LYS  59           HA       LYS  59  -8.123   7.218   7.497
  444    HB2  LYS  59           2HB      LYS  59  -8.050   7.691   5.041
  445    HB3  LYS  59           3HB      LYS  59  -6.904   6.388   4.823
  446    HG2  LYS  59           2HG      LYS  59  -8.721   5.234   4.190
  447    HG3  LYS  59           3HG      LYS  59  -8.841   4.894   5.897
  448    HD2  LYS  59           2HD      LYS  59 -11.009   5.448   5.040
  449    HD3  LYS  59           3HD      LYS  59 -10.500   6.749   6.137
  450    HE2  LYS  59           2HE      LYS  59  -9.853   8.125   4.147
  451    HE3  LYS  59           3HE      LYS  59 -10.336   6.801   3.082
  452    HZ1  LYS  59           3HZ      LYS  59 -12.607   7.063   3.894
  453    HZ2  LYS  59           1HZ      LYS  59 -12.161   8.284   4.886
  454    HZ3  LYS  59           2HZ      LYS  59 -12.067   8.467   3.270
  455    H    VAL  60           H        VAL  60  -5.284   5.389   6.178
  456    HA   VAL  60           HA       VAL  60  -6.395   3.011   7.418
  457    HB   VAL  60           HB       VAL  60  -3.952   3.409   5.664
  458   HG11  VAL  60          1HG1      VAL  60  -5.397   0.861   6.563
  459   HG12  VAL  60          2HG1      VAL  60  -4.106   0.936   5.347
  460   HG13  VAL  60          3HG1      VAL  60  -3.748   1.340   7.017
  461   HG21  VAL  60          3HG2      VAL  60  -6.846   2.537   5.137
  462   HG22  VAL  60          1HG2      VAL  60  -6.038   3.981   4.488
  463   HG23  VAL  60          2HG2      VAL  60  -5.553   2.394   3.948
  464    H    SER  61           H        SER  61  -3.588   5.173   8.247
  465    HA   SER  61           HA       SER  61  -2.667   3.362  10.285
  466    HG   SER  61           HG       SER  61  -1.722   7.312  10.228
  467    HB2  SER  61           2HB      SER  61  -1.399   5.171  11.145
  468    HB3  SER  61           3HB      SER  61  -1.342   5.286   9.381
  469    H    GLY  62           H        GLY  62  -5.240   5.838  10.089
  470    HA2  GLY  62           2HA      GLY  62  -6.102   5.807  12.781
  471    HA3  GLY  62           1HA      GLY  62  -7.115   6.099  11.350
  472    H    ASP  63           H        ASP  63  -7.236   3.756   9.982
  473    HA   ASP  63           HA       ASP  63  -8.942   2.124  11.521
  474    HB2  ASP  63           2HB      ASP  63  -8.951   2.189   9.054
  475    HB3  ASP  63           3HB      ASP  63  -7.418   1.313   9.028
  476    H    MET  64           H        MET  64  -5.484   1.605  10.719
  477    HA   MET  64           HA       MET  64  -5.217  -0.926  11.979
  478    HB2  MET  64           2HB      MET  64  -3.183   1.309  11.592
  479    HB3  MET  64           3HB      MET  64  -2.783  -0.318  12.105
  480    HG2  MET  64           2HG      MET  64  -4.209   0.231   9.474
  481    HG3  MET  64           3HG      MET  64  -2.475   0.138   9.620
  482    HE1  MET  64           3HE      MET  64  -5.856  -1.631   9.978
  483    HE2  MET  64           1HE      MET  64  -5.259  -1.662   8.290
  484    HE3  MET  64           2HE      MET  64  -5.463  -3.179   9.198
  485    H    GLN  65           H        GLN  65  -4.662   2.397  13.328
  486    HA   GLN  65           HA       GLN  65  -4.023   1.414  15.925
  487    HB2  GLN  65           2HB      GLN  65  -4.874   4.092  14.791
  488    HB3  GLN  65           3HB      GLN  65  -4.548   3.877  16.514
  489    HG2  GLN  65           2HG      GLN  65  -2.247   3.189  16.071
  490    HG3  GLN  65           3HG      GLN  65  -2.515   3.191  14.328
  491   HE21  GLN  65          2HE2      GLN  65  -3.223   5.301  13.357
  492   HE22  GLN  65          1HE2      GLN  65  -2.507   6.782  13.985
  493    H    LYS  66           H        LYS  66  -7.153   2.179  14.375
  494    HA   LYS  66           HA       LYS  66  -8.677   1.941  16.820
  495    HB2  LYS  66           2HB      LYS  66  -9.386   1.744  13.877
  496    HB3  LYS  66           3HB      LYS  66 -10.569   1.407  15.148
  497    HG2  LYS  66           2HG      LYS  66 -10.221   3.619  16.137
  498    HG3  LYS  66           3HG      LYS  66  -9.008   4.026  14.932
  499    HD2  LYS  66           2HD      LYS  66 -11.930   3.407  14.319
  500    HD3  LYS  66           3HD      LYS  66 -11.265   5.028  14.545
  501    HE2  LYS  66           2HE      LYS  66  -9.740   4.690  12.597
  502    HE3  LYS  66           3HE      LYS  66 -10.429   3.079  12.356
  503    HZ1  LYS  66           3HZ      LYS  66 -12.577   4.127  11.942
  504    HZ2  LYS  66           1HZ      LYS  66 -11.945   5.616  12.170
  505    HZ3  LYS  66           2HZ      LYS  66 -11.462   4.709  10.907
  506    H    GLN  67           H        GLN  67  -7.537  -0.519  14.375
  507    HA   GLN  67           HA       GLN  67  -8.710  -2.701  15.889
  508    HB2  GLN  67           2HB      GLN  67  -6.323  -2.722  13.986
  509    HB3  GLN  67           3HB      GLN  67  -7.128  -4.140  14.670
  510    HG2  GLN  67           2HG      GLN  67  -9.254  -3.454  13.535
  511    HG3  GLN  67           3HG      GLN  67  -8.428  -2.070  12.829
  512   HE21  GLN  67          2HE2      GLN  67  -8.134  -2.489  10.600
  513   HE22  GLN  67          1HE2      GLN  67  -7.598  -4.042  10.002
  514    H    GLY  68           H        GLY  68  -5.739  -0.836  16.139
  515    HA2  GLY  68           2HA      GLY  68  -5.013  -0.534  18.518
  516    HA3  GLY  68           1HA      GLY  68  -4.896  -2.292  18.604
  517    H    CYS  69           H        CYS  69  -3.990  -2.093  15.611
  518    HA   CYS  69           HA       CYS  69  -1.250  -2.637  16.024
  519    HG   CYS  69           HG       CYS  69  -2.751  -4.479  12.881
  520    HB2  CYS  69           2HB      CYS  69  -2.940  -1.972  13.582
  521    HB3  CYS  69           3HB      CYS  69  -1.235  -2.399  13.461
  522    H    ASP  70           H        ASP  70   0.608  -1.544  15.261
  523    HA   ASP  70           HA       ASP  70   0.421   1.445  15.319
  524    HB2  ASP  70           2HB      ASP  70   1.578   0.558  17.268
  525    HB3  ASP  70           3HB      ASP  70   2.592  -0.469  16.252
  526    H    CYS  71           H        CYS  71   1.545   2.537  13.615
  527    HA   CYS  71           HA       CYS  71   2.618   0.817  11.448
  528    HG   CYS  71           HG       CYS  71  -1.010   0.744  10.037
  529    HB2  CYS  71           2HB      CYS  71   0.240   2.735  11.309
  530    HB3  CYS  71           3HB      CYS  71   1.068   2.102   9.887
  531    H    GLU  72           H        GLU  72   3.548   2.002   9.630
  532    HA   GLU  72           HA       GLU  72   4.144   4.876   9.942
  533    HB2  GLU  72           2HB      GLU  72   5.958   3.818  11.159
  534    HB3  GLU  72           3HB      GLU  72   6.162   2.586   9.907
  535    HG2  GLU  72           2HG      GLU  72   6.969   4.252   8.323
  536    HG3  GLU  72           3HG      GLU  72   6.637   5.557   9.475
  537    H    CYS  73           H        CYS  73   3.884   5.755   7.832
  538    HA   CYS  73           HA       CYS  73   3.660   3.971   5.533
  539    HG   CYS  73           HG       CYS  73   2.937   8.411   5.440
  540    HB2  CYS  73           2HB      CYS  73   3.677   6.207   4.263
  541    HB3  CYS  73           3HB      CYS  73   2.290   5.863   5.281
  542    H    LEU  74           H        LEU  74   5.398   3.155   4.494
  543    HA   LEU  74           HA       LEU  74   8.108   4.046   5.133
  544    HG   LEU  74           HG       LEU  74   6.645   1.126   5.195
  545    HB2  LEU  74           2HB      LEU  74   7.099   2.109   3.007
  546    HB3  LEU  74           3HB      LEU  74   8.779   2.389   3.433
  547   HD11  LEU  74          1HD1      LEU  74   9.252  -0.001   4.088
  548   HD12  LEU  74          2HD1      LEU  74   8.020  -0.877   5.022
  549   HD13  LEU  74          3HD1      LEU  74   7.651  -0.296   3.392
  550   HD21  LEU  74          3HD2      LEU  74   9.529   1.848   5.883
  551   HD22  LEU  74          1HD2      LEU  74   8.050   2.408   6.702
  552   HD23  LEU  74          2HD2      LEU  74   8.534   0.717   6.819
  553    H    GLY  75           H        GLY  75   5.658   4.830   2.730
  554    HA2  GLY  75           2HA      GLY  75   6.646   7.278   2.073
  555    HA3  GLY  75           1HA      GLY  75   7.402   6.216   0.880
  556    H    GLY  76           H        GLY  76   6.020   7.625  -0.563
  557    HA2  GLY  76           2HA      GLY  76   3.457   6.237  -1.105
  558    HA3  GLY  76           1HA      GLY  76   3.479   8.003  -1.060
  559    H    GLY  77           H        GLY  77   2.669   7.006  -3.338
  560    HA2  GLY  77           2HA      GLY  77   4.465   7.837  -5.381
  561    HA3  GLY  77           1HA      GLY  77   4.452   6.066  -5.275
  562    H    ARG  78           H        ARG  78   3.395   6.365  -7.549
  563    HA   ARG  78           HA       ARG  78   0.509   6.168  -7.101
  564    HE   ARG  78           HE       ARG  78   1.372   8.948 -12.296
  565    HB2  ARG  78           2HB      ARG  78  -0.223   7.654  -8.720
  566    HB3  ARG  78           3HB      ARG  78   0.970   8.556  -7.811
  567    HG2  ARG  78           2HG      ARG  78   2.603   8.147  -9.716
  568    HG3  ARG  78           3HG      ARG  78   1.274   7.342 -10.593
  569    HD2  ARG  78           2HD      ARG  78  -0.101   9.497 -10.094
  570    HD3  ARG  78           3HD      ARG  78   1.452  10.233  -9.668
  571   HH11  ARG  78          1HH1      ARG  78   0.684  11.952 -10.522
  572   HH12  ARG  78          2HH1      ARG  78   0.664  12.956 -11.922
  573   HH21  ARG  78          1HH2      ARG  78   1.283  10.336 -14.215
  574   HH22  ARG  78          2HH2      ARG  78   1.064  12.024 -14.029
  575    H    ILE  79           H        ILE  79  -0.590   5.169  -8.971
  576    HA   ILE  79           HA       ILE  79   1.203   3.015  -9.968
  577    HB   ILE  79           HB       ILE  79  -1.628   2.954  -8.877
  578   HG12  ILE  79          2HG1      ILE  79   0.971   1.589  -8.023
  579   HG13  ILE  79          3HG1      ILE  79   0.256   2.988  -7.230
  580   HG21  ILE  79          1HG2      ILE  79  -0.085   0.651 -10.157
  581   HG22  ILE  79          2HG2      ILE  79  -1.673   0.534  -9.365
  582   HG23  ILE  79          3HG2      ILE  79  -1.514   1.445 -10.851
  583   HD11  ILE  79          3HD1      ILE  79  -1.740   1.609  -6.633
  584   HD12  ILE  79          1HD1      ILE  79  -0.903   0.179  -7.293
  585   HD13  ILE  79          2HD1      ILE  79  -0.220   1.045  -5.915
  586    H    SER  80           H        SER  80   1.191   2.537 -11.965
  587    HA   SER  80           HA       SER  80   1.089   2.588 -14.159
  588    HG   SER  80           HG       SER  80  -1.474   0.319 -13.629
  589    HB2  SER  80           2HB      SER  80  -1.869   2.549 -13.536
  590    HB3  SER  80           3HB      SER  80  -1.145   2.091 -15.090
  591    H    HIS  81           H        HIS  81   0.256   3.488 -16.249
  592    HA   HIS  81           HA       HIS  81  -0.819   6.151 -16.272
  593    HD1  HIS  81           HD1      HIS  81   1.883   8.058 -19.105
  594    HD2  HIS  81           HD2      HIS  81  -0.003   8.456 -15.352
  595    HE1  HIS  81           HE1      HIS  81   1.139  10.478 -18.927
  596    HB2  HIS  81           2HB      HIS  81   1.820   6.290 -15.874
  597    HB3  HIS  81           3HB      HIS  81   1.910   5.862 -17.577
  598    H    GLN  82           H        GLN  82  -1.368   6.704 -18.548
  599    HA   GLN  82           HA       GLN  82  -2.234   4.491 -20.085
  600    HB2  GLN  82           2HB      GLN  82  -1.722   7.375 -20.933
  601    HB3  GLN  82           3HB      GLN  82  -2.601   6.174 -21.890
  602    HG2  GLN  82           2HG      GLN  82  -4.244   5.912 -20.028
  603    HG3  GLN  82           3HG      GLN  82  -3.440   7.207 -19.141
  604   HE21  GLN  82          2HE2      GLN  82  -6.199   6.790 -20.700
  605   HE22  GLN  82          1HE2      GLN  82  -6.366   8.309 -21.542
  606    H    SER  83           H        SER  83   0.832   6.287 -20.169
  607    HA   SER  83           HA       SER  83   1.919   5.337 -22.543
  608    HG   SER  83           HG       SER  83   3.294   8.132 -20.980
  609    HB2  SER  83           2HB      SER  83   3.541   5.837 -20.037
  610    HB3  SER  83           3HB      SER  83   3.936   6.227 -21.718
  611    H    GLN  84           H        GLN  84   1.339   3.474 -19.629
  612    HA   GLN  84           HA       GLN  84   3.145   1.294 -20.584
  613    HB2  GLN  84           2HB      GLN  84   2.913   2.479 -17.783
  614    HB3  GLN  84           3HB      GLN  84   3.740   0.968 -18.135
  615    HG2  GLN  84           2HG      GLN  84   4.580   3.654 -19.306
  616    HG3  GLN  84           3HG      GLN  84   5.242   2.938 -17.849
  617   HE21  GLN  84          2HE2      GLN  84   4.989   2.496 -21.405
  618   HE22  GLN  84          1HE2      GLN  84   6.373   1.428 -21.524
  619    H    ASP  85           H        ASP  85   0.020   2.130 -19.765
  620    HA   ASP  85           HA       ASP  85  -1.053   0.552 -17.959
  621    HB2  ASP  85           2HB      ASP  85  -2.260   2.213 -19.234
  622    HB3  ASP  85           3HB      ASP  85  -2.210   1.205 -20.680
  623    H    LYS  86           H        LYS  86   0.038  -0.864 -21.002
  624    HA   LYS  86           HA       LYS  86  -1.384  -3.321 -20.894
  625    HB2  LYS  86           2HB      LYS  86   0.298  -4.179 -22.386
  626    HB3  LYS  86           3HB      LYS  86  -0.132  -2.535 -22.855
  627    HG2  LYS  86           2HG      LYS  86   1.955  -1.734 -21.618
  628    HG3  LYS  86           3HG      LYS  86   2.407  -3.423 -21.401
  629    HD2  LYS  86           2HD      LYS  86   2.010  -1.945 -24.037
  630    HD3  LYS  86           3HD      LYS  86   3.557  -2.383 -23.331
  631    HE2  LYS  86           2HE      LYS  86   1.438  -4.366 -24.293
  632    HE3  LYS  86           3HE      LYS  86   2.836  -3.843 -25.227
  633    HZ1  LYS  86           3HZ      LYS  86   4.273  -4.814 -23.532
  634    HZ2  LYS  86           1HZ      LYS  86   2.978  -5.345 -22.678
  635    HZ3  LYS  86           2HZ      LYS  86   3.278  -5.934 -24.164
  636    H    LYS  87           H        LYS  87   1.058  -2.165 -18.712
  637    HA   LYS  87           HA       LYS  87   0.915  -4.712 -17.235
  638    HB2  LYS  87           2HB      LYS  87   3.041  -4.669 -18.629
  639    HB3  LYS  87           3HB      LYS  87   3.530  -3.212 -17.750
  640    HG2  LYS  87           2HG      LYS  87   3.486  -4.562 -15.633
  641    HG3  LYS  87           3HG      LYS  87   3.103  -5.998 -16.595
  642    HD2  LYS  87           2HD      LYS  87   5.591  -4.248 -16.776
  643    HD3  LYS  87           3HD      LYS  87   5.523  -5.868 -16.115
  644    HE2  LYS  87           2HE      LYS  87   5.086  -5.132 -19.042
  645    HE3  LYS  87           3HE      LYS  87   6.575  -5.764 -18.349
  646    HZ1  LYS  87           3HZ      LYS  87   5.421  -7.807 -17.781
  647    HZ2  LYS  87           1HZ      LYS  87   4.016  -7.252 -18.440
  648    HZ3  LYS  87           2HZ      LYS  87   5.319  -7.514 -19.383
  649    H    ILE  88           H        ILE  88   0.959  -4.205 -14.904
  650    HA   ILE  88           HA       ILE  88   0.113  -1.461 -14.358
  651    HB   ILE  88           HB       ILE  88   0.700  -3.765 -12.468
  652   HG12  ILE  88          2HG1      ILE  88  -1.945  -3.594 -12.253
  653   HG13  ILE  88          3HG1      ILE  88  -1.851  -2.884 -13.857
  654   HG21  ILE  88          1HG2      ILE  88  -0.887  -1.217 -11.919
  655   HG22  ILE  88          2HG2      ILE  88  -0.548  -2.524 -10.773
  656   HG23  ILE  88          3HG2      ILE  88   0.762  -1.500 -11.342
  657   HD11  ILE  88          3HD1      ILE  88  -0.867  -5.003 -14.712
  658   HD12  ILE  88          1HD1      ILE  88  -0.799  -5.638 -13.049
  659   HD13  ILE  88          2HD1      ILE  88  -2.359  -5.322 -13.827
  660    H    HIS  89           H        HIS  89   1.392   0.091 -13.101
  661    HA   HIS  89           HA       HIS  89   4.265  -0.599 -12.825
  662    HD1  HIS  89           HD1      HIS  89   6.266  -0.618 -14.492
  663    HD2  HIS  89           HD2      HIS  89   5.604   3.499 -13.868
  664    HE1  HIS  89           HE1      HIS  89   8.561   0.496 -14.474
  665    HB2  HIS  89           2HB      HIS  89   3.692   0.611 -15.053
  666    HB3  HIS  89           3HB      HIS  89   3.427   2.037 -14.048
  667    H    VAL  90           H        VAL  90   5.394   0.858 -11.282
  668    HA   VAL  90           HA       VAL  90   3.612   2.533  -9.600
  669    HB   VAL  90           HB       VAL  90   5.610   0.602  -8.379
  670   HG11  VAL  90          1HG1      VAL  90   3.137   2.005  -7.254
  671   HG12  VAL  90          2HG1      VAL  90   4.299   1.024  -6.339
  672   HG13  VAL  90          3HG1      VAL  90   4.799   2.565  -7.057
  673   HG21  VAL  90          3HG2      VAL  90   2.649   0.014  -8.811
  674   HG22  VAL  90          1HG2      VAL  90   4.031  -0.907  -9.447
  675   HG23  VAL  90          2HG2      VAL  90   3.722  -0.883  -7.714
  676    H    TYR  91           H        TYR  91   4.649   4.425  -8.938
  677    HA   TYR  91           HA       TYR  91   7.542   4.761  -9.034
  678    HD1  TYR  91           HD2      TYR  91   4.546   4.235 -11.914
  679    HD2  TYR  91           HD1      TYR  91   5.990   8.194 -11.053
  680    HE1  TYR  91           HE2      TYR  91   2.607   5.203 -13.104
  681    HE2  TYR  91           HE1      TYR  91   4.138   9.171 -12.346
  682    HH   TYR  91           HH       TYR  91   2.604   8.634 -14.059
  683    HB2  TYR  91           2HB      TYR  91   7.509   6.314 -10.936
  684    HB3  TYR  91           3HB      TYR  91   7.015   4.722 -11.440
  685    H    GLY  92           H        GLY  92   7.786   7.467  -9.119
  686    HA2  GLY  92           2HA      GLY  92   7.021   9.533  -8.427
  687    HA3  GLY  92           1HA      GLY  92   5.506   8.811  -7.884
  688    H    TYR  93           H        TYR  93   5.984  10.421  -6.091
  689    HA   TYR  93           HA       TYR  93   7.093   9.051  -3.799
  690    HD1  TYR  93           HD1      TYR  93   7.829  13.301  -3.715
  691    HD2  TYR  93           HD2      TYR  93   9.438  10.771  -6.820
  692    HE1  TYR  93           HE1      TYR  93   8.109  15.278  -5.169
  693    HE2  TYR  93           HE2      TYR  93   9.733  12.747  -8.281
  694    HH   TYR  93           HH       TYR  93   8.815  16.068  -7.248
  695    HB2  TYR  93           2HB      TYR  93   8.637  10.966  -3.247
  696    HB3  TYR  93           3HB      TYR  93   9.175   9.940  -4.557
  697    H    SER  94           H        SER  94   6.492  10.081  -1.843
  698    HA   SER  94           HA       SER  94   4.273  12.037  -1.992
  699    HG   SER  94           HG       SER  94   3.804  12.436   0.624
  700    HB2  SER  94           2HB      SER  94   3.831  10.326  -0.425
  701    HB3  SER  94           3HB      SER  94   5.516  10.228   0.092
  702    H    MET  95           H        MET  95   4.553  14.091  -0.674
  703    HA   MET  95           HA       MET  95   7.356  15.073  -0.944
  704    HB2  MET  95           2HB      MET  95   6.596  17.209  -0.941
  705    HB3  MET  95           3HB      MET  95   5.268  16.406  -1.750
  706    HG2  MET  95           2HG      MET  95   4.106  17.737  -0.285
  707    HG3  MET  95           3HG      MET  95   4.233  16.267   0.675
  708    HE1  MET  95           3HE      MET  95   6.823  19.299  -0.046
  709    HE2  MET  95           1HE      MET  95   5.211  20.004   0.220
  710    HE3  MET  95           2HE      MET  95   6.504  20.256   1.412
  711    H    ALA  96           H        ALA  96   4.725  14.346   1.401
  712    HA   ALA  96           HA       ALA  96   6.283  15.310   3.653
  713    HB1  ALA  96           3HB      ALA  96   3.859  15.394   3.698
  714    HB2  ALA  96           1HB      ALA  96   3.753  13.633   3.489
  715    HB3  ALA  96           2HB      ALA  96   4.425  14.314   4.987
  716    H    TYR  97           H        TYR  97   5.923  12.178   2.072
  717    HA   TYR  97           HA       TYR  97   7.577  10.892   4.197
  718    HD1  TYR  97           HD2      TYR  97   5.948  10.325   6.222
  719    HD2  TYR  97           HD1      TYR  97   3.329  10.874   2.835
  720    HE1  TYR  97           HE2      TYR  97   4.203  11.256   7.715
  721    HE2  TYR  97           HE1      TYR  97   1.560  11.684   4.311
  722    HH   TYR  97           HH       TYR  97   0.987  12.316   6.503
  723    HB2  TYR  97           2HB      TYR  97   5.361   9.629   2.562
  724    HB3  TYR  97           3HB      TYR  97   6.175   8.959   3.965
  725    H    GLY  98           H        GLY  98   7.736  11.748   0.918
  726    HA2  GLY  98           2HA      GLY  98   9.436  11.298  -0.553
  727    HA3  GLY  98           1HA      GLY  98  10.132  10.185   0.623
  728    HA   PRO  99           HA       PRO  99   8.384   7.628  -2.909
  729    HB2  PRO  99           2HB      PRO  99  10.713   6.349  -3.593
  730    HB3  PRO  99           3HB      PRO  99  10.201   7.902  -4.310
  731    HG2  PRO  99           2HG      PRO  99  12.167   7.436  -2.061
  732    HG3  PRO  99           3HG      PRO  99  12.321   8.543  -3.461
  733    HD2  PRO  99           2HD      PRO  99  11.526   9.382  -0.975
  734    HD3  PRO  99           3HD      PRO  99  10.904  10.135  -2.472
  735    H    ALA 100           H        ALA 100   7.634   5.626  -2.432
  736    HA   ALA 100           HA       ALA 100   8.375   4.269   0.053
  737    HB1  ALA 100           3HB      ALA 100   6.043   4.280  -0.813
  738    HB2  ALA 100           1HB      ALA 100   6.613   3.530  -2.309
  739    HB3  ALA 100           2HB      ALA 100   6.687   2.628  -0.782
  740    H    GLN 101           H        GLN 101   8.793   1.861  -0.094
  741    HA   GLN 101           HA       GLN 101  10.972   1.176  -1.955
  742    HB2  GLN 101           2HB      GLN 101   9.636  -0.216   0.395
  743    HB3  GLN 101           3HB      GLN 101  10.757  -1.061  -0.691
  744    HG2  GLN 101           2HG      GLN 101  12.522   0.534  -0.189
  745    HG3  GLN 101           3HG      GLN 101  11.433   1.438   0.888
  746   HE21  GLN 101          2HE2      GLN 101  13.048  -1.764   0.437
  747   HE22  GLN 101          1HE2      GLN 101  13.043  -2.183   2.129
  748    H    HIS 102           H        HIS 102   9.506   1.590  -3.808
  749    HA   HIS 102           HA       HIS 102   7.128   0.280  -4.293
  750    HD1  HIS 102           HD1      HIS 102   9.554   3.821  -5.803
  751    HD2  HIS 102           HD2      HIS 102   5.738   2.280  -4.886
  752    HE1  HIS 102           HE1      HIS 102   8.179   5.741  -4.907
  753    HB2  HIS 102           2HB      HIS 102   9.236   1.187  -6.277
  754    HB3  HIS 102           3HB      HIS 102   7.559   0.806  -6.682
  755    H    ALA 103           H        ALA 103  10.251  -1.230  -4.369
  756    HA   ALA 103           HA       ALA 103   9.719  -3.498  -6.007
  757    HB1  ALA 103           3HB      ALA 103  11.967  -2.883  -5.160
  758    HB2  ALA 103           1HB      ALA 103  11.437  -3.178  -3.490
  759    HB3  ALA 103           2HB      ALA 103  11.537  -4.526  -4.646
  760    H    ILE 104           H        ILE 104   8.802  -2.727  -2.622
  761    HA   ILE 104           HA       ILE 104   7.898  -5.396  -1.961
  762    HB   ILE 104           HB       ILE 104   7.119  -2.686  -0.795
  763   HG12  ILE 104          2HG1      ILE 104   9.260  -4.636   0.188
  764   HG13  ILE 104          3HG1      ILE 104   9.590  -3.137  -0.674
  765   HG21  ILE 104          1HG2      ILE 104   6.870  -5.488   0.394
  766   HG22  ILE 104          2HG2      ILE 104   6.404  -3.968   1.193
  767   HG23  ILE 104          3HG2      ILE 104   5.528  -4.504  -0.233
  768   HD11  ILE 104          3HD1      ILE 104   8.351  -1.896   1.169
  769   HD12  ILE 104          1HD1      ILE 104   8.434  -3.407   2.108
  770   HD13  ILE 104          2HD1      ILE 104   9.925  -2.601   1.580
  771    H    SER 105           H        SER 105   6.361  -2.361  -3.203
  772    HA   SER 105           HA       SER 105   3.746  -3.248  -3.334
  773    HG   SER 105           HG       SER 105   4.740   0.208  -3.774
  774    HB2  SER 105           2HB      SER 105   4.918  -1.424  -5.442
  775    HB3  SER 105           3HB      SER 105   3.341  -1.347  -4.635
  776    H    THR 106           H        THR 106   6.327  -3.555  -5.931
  777    HA   THR 106           HA       THR 106   4.509  -4.661  -7.810
  778    HB   THR 106           HB       THR 106   6.588  -5.619  -8.888
  779    HG1  THR 106           1HG      THR 106   8.507  -5.282  -7.972
  780   HG21  THR 106          3HG2      THR 106   5.693  -3.327  -9.388
  781   HG22  THR 106          1HG2      THR 106   6.748  -2.658  -8.133
  782   HG23  THR 106          2HG2      THR 106   7.441  -3.451  -9.568
  783    H    GLU 107           H        GLU 107   6.793  -6.364  -5.548
  784    HA   GLU 107           HA       GLU 107   5.913  -8.918  -6.351
  785    HB2  GLU 107           2HB      GLU 107   7.144  -7.966  -3.740
  786    HB3  GLU 107           3HB      GLU 107   6.870  -9.670  -4.117
  787    HG2  GLU 107           2HG      GLU 107   8.587  -7.783  -5.797
  788    HG3  GLU 107           3HG      GLU 107   9.198  -8.911  -4.597
  789    H    LYS 108           H        LYS 108   4.570  -6.830  -3.733
  790    HA   LYS 108           HA       LYS 108   2.714  -8.838  -2.830
  791    HB2  LYS 108           2HB      LYS 108   2.775  -5.806  -2.557
  792    HB3  LYS 108           3HB      LYS 108   1.478  -6.810  -1.896
  793    HG2  LYS 108           2HG      LYS 108   3.168  -8.148  -0.631
  794    HG3  LYS 108           3HG      LYS 108   4.426  -7.019  -1.154
  795    HD2  LYS 108           2HD      LYS 108   3.231  -5.153  -0.075
  796    HD3  LYS 108           3HD      LYS 108   1.916  -6.229   0.409
  797    HE2  LYS 108           2HE      LYS 108   4.813  -6.420   1.352
  798    HE3  LYS 108           3HE      LYS 108   3.459  -5.722   2.256
  799    HZ1  LYS 108           3HZ      LYS 108   2.384  -7.892   2.226
  800    HZ2  LYS 108           1HZ      LYS 108   3.669  -8.558   1.459
  801    HZ3  LYS 108           2HZ      LYS 108   3.848  -7.965   2.972
  802    H    ILE 109           H        ILE 109   2.284  -6.120  -5.210
  803    HA   ILE 109           HA       ILE 109  -0.485  -6.780  -5.620
  804    HB   ILE 109           HB       ILE 109   1.451  -5.205  -7.345
  805   HG12  ILE 109          2HG1      ILE 109  -0.717  -4.100  -5.500
  806   HG13  ILE 109          3HG1      ILE 109   0.934  -4.313  -4.963
  807   HG21  ILE 109          1HG2      ILE 109  -1.612  -5.161  -7.418
  808   HG22  ILE 109          2HG2      ILE 109  -0.512  -4.266  -8.484
  809   HG23  ILE 109          3HG2      ILE 109  -0.619  -6.013  -8.610
  810   HD11  ILE 109          3HD1      ILE 109   1.722  -2.821  -6.828
  811   HD12  ILE 109          1HD1      ILE 109   0.019  -2.490  -7.224
  812   HD13  ILE 109          2HD1      ILE 109   0.667  -2.021  -5.652
  813    H    LYS 110           H        LYS 110   2.561  -7.880  -7.239
  814    HA   LYS 110           HA       LYS 110   1.271  -9.418  -9.285
  815    HB2  LYS 110           2HB      LYS 110   3.944  -9.801  -7.869
  816    HB3  LYS 110           3HB      LYS 110   3.429 -10.753  -9.268
  817    HG2  LYS 110           2HG      LYS 110   3.492  -8.913 -10.743
  818    HG3  LYS 110           3HG      LYS 110   3.472  -7.746  -9.431
  819    HD2  LYS 110           2HD      LYS 110   5.672  -7.683 -10.261
  820    HD3  LYS 110           3HD      LYS 110   5.752  -8.540  -8.726
  821    HE2  LYS 110           2HE      LYS 110   5.655 -10.711 -10.043
  822    HE3  LYS 110           3HE      LYS 110   5.796  -9.745 -11.525
  823    HZ1  LYS 110           3HZ      LYS 110   7.939  -8.950 -10.708
  824    HZ2  LYS 110           1HZ      LYS 110   7.767  -9.755  -9.286
  825    HZ3  LYS 110           2HZ      LYS 110   7.952 -10.583 -10.693
  826    H    ALA 111           H        ALA 111   2.247 -10.310  -5.904
  827    HA   ALA 111           HA       ALA 111   1.309 -12.988  -6.082
  828    HB1  ALA 111           3HB      ALA 111   2.794 -12.177  -4.283
  829    HB2  ALA 111           1HB      ALA 111   1.478 -11.167  -3.638
  830    HB3  ALA 111           2HB      ALA 111   1.332 -12.934  -3.622
  831    H    LYS 112           H        LYS 112  -0.397  -9.951  -5.196
  832    HA   LYS 112           HA       LYS 112  -2.880 -11.168  -4.481
  833    HB2  LYS 112           2HB      LYS 112  -2.110  -8.818  -3.954
  834    HB3  LYS 112           3HB      LYS 112  -2.397  -8.400  -5.641
  835    HG2  LYS 112           2HG      LYS 112  -4.286  -7.667  -4.428
  836    HG3  LYS 112           3HG      LYS 112  -4.797  -9.087  -5.343
  837    HD2  LYS 112           2HD      LYS 112  -4.840 -10.467  -3.377
  838    HD3  LYS 112           3HD      LYS 112  -3.959  -9.263  -2.432
  839    HE2  LYS 112           2HE      LYS 112  -6.321  -9.281  -1.815
  840    HE3  LYS 112           3HE      LYS 112  -5.848  -7.722  -2.485
  841    HZ1  LYS 112           3HZ      LYS 112  -6.968  -8.271  -4.526
  842    HZ2  LYS 112           1HZ      LYS 112  -7.273  -9.815  -4.028
  843    HZ3  LYS 112           2HZ      LYS 112  -7.998  -8.553  -3.301
  844    H    TYR 113           H        TYR 113  -1.604 -10.066  -7.647
  845    HA   TYR 113           HA       TYR 113  -4.002 -11.223  -8.994
  846    HD1  TYR 113           HD2      TYR 113  -6.082  -9.865  -8.911
  847    HD2  TYR 113           HD1      TYR 113  -3.023  -6.939  -8.088
  848    HE1  TYR 113           HE2      TYR 113  -7.606  -8.723  -7.330
  849    HE2  TYR 113           HE1      TYR 113  -4.547  -5.767  -6.528
  850    HH   TYR 113           HH       TYR 113  -6.654  -5.786  -5.498
  851    HB2  TYR 113           2HB      TYR 113  -2.585  -8.620  -9.652
  852    HB3  TYR 113           3HB      TYR 113  -3.963  -9.307 -10.501
  853    HA   PRO 114           HA       PRO 114   0.065 -12.858 -10.554
  854    HB2  PRO 114           2HB      PRO 114  -0.480 -15.550 -10.591
  855    HB3  PRO 114           3HB      PRO 114   0.013 -14.657  -9.120
  856    HG2  PRO 114           2HG      PRO 114  -2.802 -15.360 -10.013
  857    HG3  PRO 114           3HG      PRO 114  -2.057 -15.615  -8.401
  858    HD2  PRO 114           2HD      PRO 114  -3.620 -13.454  -8.915
  859    HD3  PRO 114           3HD      PRO 114  -2.164 -13.314  -7.886
  860    H    ASP 115           H        ASP 115  -3.174 -13.012 -11.795
  861    HA   ASP 115           HA       ASP 115  -2.569 -14.132 -14.389
  862    HB2  ASP 115           2HB      ASP 115  -4.843 -14.032 -13.363
  863    HB3  ASP 115           3HB      ASP 115  -4.818 -12.275 -13.528
  864    H    TYR 116           H        TYR 116  -1.552 -11.251 -12.932
  865    HA   TYR 116           HA       TYR 116  -1.013  -9.910 -15.528
  866    HD1  TYR 116           HD1      TYR 116  -2.834  -7.710 -16.423
  867    HD2  TYR 116           HD2      TYR 116  -4.158  -9.619 -12.789
  868    HE1  TYR 116           HE1      TYR 116  -5.158  -7.688 -17.268
  869    HE2  TYR 116           HE2      TYR 116  -6.492  -9.597 -13.618
  870    HH   TYR 116           HH       TYR 116  -7.382  -8.236 -16.830
  871    HB2  TYR 116           2HB      TYR 116  -1.926  -8.593 -12.936
  872    HB3  TYR 116           3HB      TYR 116  -1.425  -7.756 -14.393
  873    H    GLU 117           H        GLU 117   0.638  -7.958 -14.791
  874    HA   GLU 117           HA       GLU 117   2.587  -8.897 -12.828
  875    HB2  GLU 117           2HB      GLU 117   3.405 -10.035 -14.743
  876    HB3  GLU 117           3HB      GLU 117   3.183  -8.623 -15.796
  877    HG2  GLU 117           2HG      GLU 117   4.993  -7.460 -14.702
  878    HG3  GLU 117           3HG      GLU 117   5.120  -8.718 -13.451
  879    H    VAL 118           H        VAL 118   4.180  -7.165 -12.397
  880    HA   VAL 118           HA       VAL 118   3.101  -4.458 -12.784
  881    HB   VAL 118           HB       VAL 118   3.851  -5.608 -10.079
  882   HG11  VAL 118          1HG1      VAL 118   2.082  -3.226 -10.714
  883   HG12  VAL 118          2HG1      VAL 118   2.737  -3.691  -9.140
  884   HG13  VAL 118          3HG1      VAL 118   3.805  -3.088 -10.422
  885   HG21  VAL 118          3HG2      VAL 118   0.971  -5.398 -11.072
  886   HG22  VAL 118          1HG2      VAL 118   1.839  -6.911 -10.810
  887   HG23  VAL 118          2HG2      VAL 118   1.530  -5.858  -9.457
  888    H    THR 119           H        THR 119   4.875  -2.952 -12.843
  889    HA   THR 119           HA       THR 119   7.557  -3.914 -11.957
  890    HB   THR 119           HB       THR 119   8.423  -2.570 -13.966
  891    HG1  THR 119           1HG      THR 119   6.928  -2.489 -15.712
  892   HG21  THR 119          3HG2      THR 119   8.562  -4.996 -13.892
  893   HG22  THR 119          1HG2      THR 119   6.887  -5.156 -14.444
  894   HG23  THR 119          2HG2      THR 119   8.124  -4.473 -15.527
  895    H    TRP 120           H        TRP 120   9.110  -1.876 -11.828
  896    HA   TRP 120           HA       TRP 120   7.651   0.573 -11.254
  897    HD1  TRP 120           HD1      TRP 120   9.419  -2.798  -8.950
  898    HE1  TRP 120           HE1      TRP 120  11.687  -3.061  -7.841
  899    HE3  TRP 120           HE3      TRP 120  10.643   2.175  -8.444
  900    HZ2  TRP 120           HZ2      TRP 120  13.746  -1.348  -6.746
  901    HZ3  TRP 120           HZ3      TRP 120  12.750   2.795  -7.297
  902    HH2  TRP 120           HH2      TRP 120  14.305   1.064  -6.459
  903    HB2  TRP 120           2HB      TRP 120   8.484   0.928  -9.065
  904    HB3  TRP 120           3HB      TRP 120   7.695  -0.631  -9.054
  905    H    ALA 121           H        ALA 121   8.974   2.412 -11.297
  906    HA   ALA 121           HA       ALA 121  11.851   2.269 -11.507
  907    HB1  ALA 121           3HB      ALA 121  11.291   1.842 -13.898
  908    HB2  ALA 121           1HB      ALA 121  10.221   3.261 -13.910
  909    HB3  ALA 121           2HB      ALA 121  11.971   3.467 -13.690
  910    H    ASN 122           H        ASN 122  12.340   3.992 -10.148
  911    HA   ASN 122           HA       ASN 122  10.126   5.579  -9.305
  912    HB2  ASN 122           2HB      ASN 122  12.419   4.786  -8.056
  913    HB3  ASN 122           3HB      ASN 122  12.803   6.475  -8.358
  914   HD21  ASN 122          2HD2      ASN 122  10.648   7.941  -7.946
  915   HD22  ASN 122          1HD2      ASN 122   9.729   7.544  -6.496
  916    H    ASP 123           H        ASP 123  11.976   6.072 -12.013
  917    HA   ASP 123           HA       ASP 123  12.729   8.801 -11.937
  918    HB2  ASP 123           2HB      ASP 123  13.594   7.213 -13.583
  919    HB3  ASP 123           3HB      ASP 123  11.976   6.983 -14.254
  920    H    GLY 124           H        GLY 124   9.619   7.278 -12.671
  921    HA2  GLY 124           2HA      GLY 124   8.394   9.591 -13.908
  922    HA3  GLY 124           1HA      GLY 124   7.560   8.171 -13.267
  923    H    TYR 125           H        TYR 125   6.659  10.883 -12.959
  924    HA   TYR 125           HA       TYR 125   6.209  10.897 -10.093
  925    HD1  TYR 125           HD2      TYR 125   9.340  12.487 -12.419
  926    HD2  TYR 125           HD1      TYR 125   6.120  15.058 -11.129
  927    HE1  TYR 125           HE2      TYR 125   9.906  14.092 -14.217
  928    HE2  TYR 125           HE1      TYR 125   6.676  16.666 -12.921
  929    HH   TYR 125           HH       TYR 125   8.082  17.154 -14.716
  930    HB2  TYR 125           2HB      TYR 125   6.885  13.203  -9.724
  931    HB3  TYR 125           3HB      TYR 125   8.265  12.227 -10.178
  Start of MODEL   14
    1    HA   MET   1           HA       MET   1 -15.171  -5.885  16.735
    2    H1   MET   1           H1       MET   1 -16.994  -6.497  18.867
    3    H2   MET   1           H2       MET   1 -17.218  -6.554  17.248
    4    H3   MET   1           H3       MET   1 -17.285  -5.112  18.029
    5    HB2  MET   1           2HB      MET   1 -15.495  -3.700  17.917
    6    HB3  MET   1           3HB      MET   1 -14.968  -4.454  19.426
    7    HG2  MET   1           2HG      MET   1 -13.185  -3.165  18.292
    8    HG3  MET   1           3HG      MET   1 -12.750  -4.857  18.494
    9    HE1  MET   1           3HE      MET   1 -11.164  -2.858  16.587
   10    HE2  MET   1           1HE      MET   1 -10.745  -4.579  16.787
   11    HE3  MET   1           2HE      MET   1 -10.919  -3.890  15.160
   12    H    ALA   2           H        ALA   2 -13.095  -6.943  17.143
   13    HA   ALA   2           HA       ALA   2 -12.765  -8.522  19.584
   14    HB1  ALA   2           3HB      ALA   2 -14.007 -10.082  18.097
   15    HB2  ALA   2           1HB      ALA   2 -12.814  -9.805  16.806
   16    HB3  ALA   2           2HB      ALA   2 -12.330 -10.608  18.314
   17    H    VAL   3           H        VAL   3 -10.495  -9.465  19.564
   18    HA   VAL   3           HA       VAL   3  -8.625  -7.436  18.759
   19    HB   VAL   3           HB       VAL   3  -7.977 -10.263  19.701
   20   HG11  VAL   3          1HG1      VAL   3  -6.485  -7.608  19.942
   21   HG12  VAL   3          2HG1      VAL   3  -5.939  -9.169  20.588
   22   HG13  VAL   3          3HG1      VAL   3  -6.062  -8.937  18.845
   23   HG21  VAL   3          3HG2      VAL   3  -8.650  -7.804  21.380
   24   HG22  VAL   3          1HG2      VAL   3  -9.502  -9.362  21.377
   25   HG23  VAL   3          2HG2      VAL   3  -7.860  -9.267  22.006
   26    H    ALA   4           H        ALA   4  -7.666  -7.216  16.811
   27    HA   ALA   4           HA       ALA   4  -8.033  -9.165  14.675
   28    HB1  ALA   4           3HB      ALA   4  -8.123  -6.703  14.303
   29    HB2  ALA   4           1HB      ALA   4  -6.408  -6.583  14.763
   30    HB3  ALA   4           2HB      ALA   4  -6.887  -7.487  13.314
   31    H    ASP   5           H        ASP   5  -5.740  -9.249  13.285
   32    HA   ASP   5           HA       ASP   5  -3.352  -9.657  14.859
   33    HB2  ASP   5           2HB      ASP   5  -4.379 -11.909  15.092
   34    HB3  ASP   5           3HB      ASP   5  -4.608 -11.996  13.344
   35    H    LEU   6           H        LEU   6  -1.487  -9.677  13.300
   36    HA   LEU   6           HA       LEU   6  -1.834  -7.971  11.118
   37    HG   LEU   6           HG       LEU   6   0.404  -8.283  13.369
   38    HB2  LEU   6           2HB      LEU   6   0.346 -10.031  11.636
   39    HB3  LEU   6           3HB      LEU   6   0.404  -8.812  10.381
   40   HD11  LEU   6          1HD1      LEU   6   2.525  -7.890  11.205
   41   HD12  LEU   6          2HD1      LEU   6   2.691  -7.461  12.921
   42   HD13  LEU   6          3HD1      LEU   6   2.522  -9.155  12.450
   43   HD21  LEU   6          3HD2      LEU   6   0.413  -6.316  11.040
   44   HD22  LEU   6          1HD2      LEU   6  -0.758  -6.421  12.380
   45   HD23  LEU   6          2HD2      LEU   6   0.889  -5.897  12.701
   46    H    ALA   7           H        ALA   7  -2.015 -11.559  11.175
   47    HA   ALA   7           HA       ALA   7  -1.870 -11.908   8.368
   48    HB1  ALA   7           3HB      ALA   7  -1.544 -13.725  10.013
   49    HB2  ALA   7           1HB      ALA   7  -3.266 -13.627  10.460
   50    HB3  ALA   7           2HB      ALA   7  -2.797 -14.138   8.827
   51    H    LEU   8           H        LEU   8  -4.509 -10.770  10.402
   52    HA   LEU   8           HA       LEU   8  -6.605 -11.492   8.463
   53    HG   LEU   8           HG       LEU   8  -6.200 -12.210  11.542
   54    HB2  LEU   8           2HB      LEU   8  -6.727  -9.832  11.014
   55    HB3  LEU   8           3HB      LEU   8  -8.108 -10.351  10.059
   56   HD11  LEU   8          1HD1      LEU   8  -9.084 -11.427  12.137
   57   HD12  LEU   8          2HD1      LEU   8  -8.106 -12.605  13.042
   58   HD13  LEU   8          3HD1      LEU   8  -7.648 -10.899  13.038
   59   HD21  LEU   8          3HD2      LEU   8  -8.742 -12.836   9.974
   60   HD22  LEU   8          1HD2      LEU   8  -7.091 -13.369   9.579
   61   HD23  LEU   8          2HD2      LEU   8  -7.882 -13.977  11.032
   62    H    ILE   9           H        ILE   9  -4.441  -8.800   9.018
   63    HA   ILE   9           HA       ILE   9  -6.141  -6.731   7.996
   64    HB   ILE   9           HB       ILE   9  -3.103  -6.806   7.872
   65   HG12  ILE   9          2HG1      ILE   9  -4.851  -5.812  10.172
   66   HG13  ILE   9          3HG1      ILE   9  -3.879  -7.288  10.196
   67   HG21  ILE   9          1HG2      ILE   9  -5.080  -4.488   8.008
   68   HG22  ILE   9          2HG2      ILE   9  -3.315  -4.343   7.916
   69   HG23  ILE   9          3HG2      ILE   9  -4.203  -5.008   6.556
   70   HD11  ILE   9          3HD1      ILE   9  -1.813  -5.960   9.925
   71   HD12  ILE   9          1HD1      ILE   9  -2.776  -4.478  10.065
   72   HD13  ILE   9          2HD1      ILE   9  -2.720  -5.610  11.418
   73    HA   PRO  10           HA       PRO  10  -6.000  -7.984   3.608
   74    HB2  PRO  10           2HB      PRO  10  -6.286  -4.989   3.291
   75    HB3  PRO  10           3HB      PRO  10  -7.116  -6.298   2.393
   76    HG2  PRO  10           2HG      PRO  10  -8.397  -4.989   4.389
   77    HG3  PRO  10           3HG      PRO  10  -8.525  -6.775   4.270
   78    HD2  PRO  10           2HD      PRO  10  -6.752  -5.135   6.092
   79    HD3  PRO  10           3HD      PRO  10  -7.718  -6.596   6.462
   80    H    ASP  11           H        ASP  11  -4.057  -8.462   2.729
   81    HA   ASP  11           HA       ASP  11  -1.632  -7.121   3.461
   82    HB2  ASP  11           2HB      ASP  11  -1.852  -9.532   2.991
   83    HB3  ASP  11           3HB      ASP  11  -2.252  -9.182   1.308
   84    H    VAL  12           H        VAL  12  -3.641  -7.091   0.525
   85    HA   VAL  12           HA       VAL  12  -2.401  -4.549  -0.341
   86    HB   VAL  12           HB       VAL  12  -3.064  -6.894  -2.173
   87   HG11  VAL  12          1HG1      VAL  12  -1.900  -4.156  -2.860
   88   HG12  VAL  12          2HG1      VAL  12  -2.149  -5.510  -3.986
   89   HG13  VAL  12          3HG1      VAL  12  -3.541  -4.721  -3.253
   90   HG21  VAL  12          3HG2      VAL  12  -0.352  -5.711  -1.438
   91   HG22  VAL  12          1HG2      VAL  12  -0.930  -7.352  -1.089
   92   HG23  VAL  12          2HG2      VAL  12  -0.642  -6.859  -2.762
   93    H    ASP  13           H        ASP  13  -4.075  -3.110  -0.989
   94    HA   ASP  13           HA       ASP  13  -6.638  -4.184  -1.775
   95    HB2  ASP  13           2HB      ASP  13  -6.917  -4.064   0.728
   96    HB3  ASP  13           3HB      ASP  13  -6.591  -2.334   0.644
   97    H    ILE  14           H        ILE  14  -7.208  -2.995  -3.431
   98    HA   ILE  14           HA       ILE  14  -6.803  -0.131  -3.630
   99    HB   ILE  14           HB       ILE  14  -5.824  -0.278  -5.883
  100   HG12  ILE  14          2HG1      ILE  14  -5.351  -3.248  -5.349
  101   HG13  ILE  14          3HG1      ILE  14  -6.539  -2.589  -6.476
  102   HG21  ILE  14          1HG2      ILE  14  -3.951  -1.675  -3.936
  103   HG22  ILE  14          2HG2      ILE  14  -3.532  -0.562  -5.256
  104   HG23  ILE  14          3HG2      ILE  14  -4.384   0.042  -3.839
  105   HD11  ILE  14          3HD1      ILE  14  -4.680  -1.515  -7.769
  106   HD12  ILE  14          1HD1      ILE  14  -3.515  -2.356  -6.714
  107   HD13  ILE  14          2HD1      ILE  14  -4.620  -3.289  -7.732
  108    H    ASP  15           H        ASP  15  -8.105   0.539  -5.699
  109    HA   ASP  15           HA       ASP  15 -10.141  -1.444  -6.528
  110    HB2  ASP  15           2HB      ASP  15 -11.129  -0.504  -4.487
  111    HB3  ASP  15           3HB      ASP  15 -10.867   1.136  -5.087
  112    H    SER  16           H        SER  16  -8.901   1.917  -6.729
  113    HA   SER  16           HA       SER  16 -10.209   2.648  -9.099
  114    HG   SER  16           HG       SER  16 -10.188   4.079  -7.192
  115    HB2  SER  16           2HB      SER  16  -7.528   3.612  -8.034
  116    HB3  SER  16           3HB      SER  16  -8.683   4.521  -9.038
  117    H    ASP  17           H        ASP  17  -9.210   3.147 -11.181
  118    HA   ASP  17           HA       ASP  17  -6.805   1.686 -12.025
  119    HB2  ASP  17           2HB      ASP  17  -8.517   0.077 -12.637
  120    HB3  ASP  17           3HB      ASP  17  -9.552   1.348 -13.300
  121    H    GLY  18           H        GLY  18  -5.628   3.157 -13.213
  122    HA2  GLY  18           2HA      GLY  18  -6.159   5.073 -15.015
  123    HA3  GLY  18           1HA      GLY  18  -6.797   5.824 -13.541
  124    H    VAL  19           H        VAL  19  -5.338   7.198 -12.756
  125    HA   VAL  19           HA       VAL  19  -2.605   6.308 -12.108
  126    HB   VAL  19           HB       VAL  19  -3.405   9.028 -13.259
  127   HG11  VAL  19          1HG1      VAL  19  -0.693   7.970 -12.371
  128   HG12  VAL  19          2HG1      VAL  19  -0.972   9.507 -13.217
  129   HG13  VAL  19          3HG1      VAL  19  -1.633   9.261 -11.596
  130   HG21  VAL  19          3HG2      VAL  19  -1.794   6.778 -14.516
  131   HG22  VAL  19          1HG2      VAL  19  -3.322   7.462 -15.097
  132   HG23  VAL  19          2HG2      VAL  19  -1.857   8.439 -15.144
  133    H    PHE  20           H        PHE  20  -2.562   6.413  -9.834
  134    HA   PHE  20           HA       PHE  20  -3.921   8.599  -8.411
  135    HD1  PHE  20           HD2      PHE  20  -5.520   5.279 -10.307
  136    HD2  PHE  20           HD1      PHE  20  -4.301   4.881  -6.194
  137    HE1  PHE  20           HE2      PHE  20  -5.369   2.818 -10.581
  138    HE2  PHE  20           HE1      PHE  20  -4.217   2.413  -6.458
  139    HZ   PHE  20           HZ       PHE  20  -4.743   1.380  -8.656
  140    HB2  PHE  20           2HB      PHE  20  -5.232   7.000  -7.023
  141    HB3  PHE  20           3HB      PHE  20  -5.806   7.149  -8.671
  142    H    LYS  21           H        LYS  21  -3.316   8.679  -6.118
  143    HA   LYS  21           HA       LYS  21  -0.580   7.870  -5.751
  144    HB2  LYS  21           2HB      LYS  21  -2.632   9.184  -3.924
  145    HB3  LYS  21           3HB      LYS  21  -1.072   8.651  -3.346
  146    HG2  LYS  21           2HG      LYS  21  -0.716  10.875  -3.760
  147    HG3  LYS  21           3HG      LYS  21   0.040  10.059  -5.131
  148    HD2  LYS  21           2HD      LYS  21  -1.923  10.658  -6.550
  149    HD3  LYS  21           3HD      LYS  21  -2.695  11.407  -5.131
  150    HE2  LYS  21           2HE      LYS  21  -0.573  12.853  -4.933
  151    HE3  LYS  21           3HE      LYS  21  -0.115  12.248  -6.530
  152    HZ1  LYS  21           3HZ      LYS  21  -2.241  13.203  -7.353
  153    HZ2  LYS  21           1HZ      LYS  21  -2.534  13.812  -5.845
  154    HZ3  LYS  21           2HZ      LYS  21  -1.259  14.343  -6.717
  155    H    TYR  22           H        TYR  22   0.252   6.581  -4.053
  156    HA   TYR  22           HA       TYR  22  -1.510   4.671  -2.730
  157    HD1  TYR  22           HD1      TYR  22   2.212   4.672  -4.749
  158    HD2  TYR  22           HD2      TYR  22   0.498   1.382  -2.580
  159    HE1  TYR  22           HE1      TYR  22   4.461   4.047  -3.963
  160    HE2  TYR  22           HE2      TYR  22   2.766   0.687  -1.848
  161    HH   TYR  22           HH       TYR  22   5.717   2.471  -2.788
  162    HB2  TYR  22           2HB      TYR  22  -0.893   2.839  -3.876
  163    HB3  TYR  22           3HB      TYR  22  -0.214   3.890  -5.091
  164    H    VAL  23           H        VAL  23  -0.187   3.548  -0.965
  165    HA   VAL  23           HA       VAL  23   2.341   4.858  -0.280
  166    HB   VAL  23           HB       VAL  23   1.657   5.072   2.129
  167   HG11  VAL  23          1HG1      VAL  23   0.229   6.946   0.213
  168   HG12  VAL  23          2HG1      VAL  23   0.609   7.275   1.919
  169   HG13  VAL  23          3HG1      VAL  23   1.913   7.056   0.749
  170   HG21  VAL  23          3HG2      VAL  23  -1.178   4.864   1.051
  171   HG22  VAL  23          1HG2      VAL  23  -0.382   3.699   2.097
  172   HG23  VAL  23          2HG2      VAL  23  -0.715   5.341   2.695
  173    H    LEU  24           H        LEU  24   3.545   3.704   1.260
  174    HA   LEU  24           HA       LEU  24   2.941   0.788   1.320
  175    HG   LEU  24           HG       LEU  24   6.615   0.071   0.998
  176    HB2  LEU  24           2HB      LEU  24   5.044   1.817   0.112
  177    HB3  LEU  24           3HB      LEU  24   5.657   2.099   1.722
  178   HD11  LEU  24          1HD1      LEU  24   4.250  -1.001   2.579
  179   HD12  LEU  24          2HD1      LEU  24   5.912  -1.615   2.491
  180   HD13  LEU  24          3HD1      LEU  24   5.590  -0.087   3.320
  181   HD21  LEU  24          3HD2      LEU  24   3.853  -0.725   0.005
  182   HD22  LEU  24          1HD2      LEU  24   5.300  -0.347  -0.943
  183   HD23  LEU  24          2HD2      LEU  24   5.247  -1.813   0.053
  184    H    ILE  25           H        ILE  25   2.279   0.219   3.484
  185    HA   ILE  25           HA       ILE  25   3.127   2.098   5.662
  186    HB   ILE  25           HB       ILE  25   0.454   0.707   5.371
  187   HG12  ILE  25          2HG1      ILE  25   1.154   3.664   5.109
  188   HG13  ILE  25          3HG1      ILE  25   0.661   2.588   3.801
  189   HG21  ILE  25          1HG2      ILE  25   1.473   2.641   7.504
  190   HG22  ILE  25          2HG2      ILE  25  -0.174   1.970   7.419
  191   HG23  ILE  25          3HG2      ILE  25   1.166   0.905   7.728
  192   HD11  ILE  25          3HD1      ILE  25  -1.538   2.222   4.980
  193   HD12  ILE  25          1HD1      ILE  25  -1.074   3.508   6.126
  194   HD13  ILE  25          2HD1      ILE  25  -1.268   3.879   4.417
  195    H    ARG  26           H        ARG  26   4.403   1.180   7.069
  196    HA   ARG  26           HA       ARG  26   4.521  -1.750   7.402
  197    HE   ARG  26           HE       ARG  26   8.085  -2.749   8.025
  198    HB2  ARG  26           2HB      ARG  26   6.583  -0.413   7.554
  199    HB3  ARG  26           3HB      ARG  26   5.904   0.567   8.850
  200    HG2  ARG  26           2HG      ARG  26   5.904  -1.240  10.395
  201    HG3  ARG  26           3HG      ARG  26   6.130  -2.459   9.136
  202    HD2  ARG  26           2HD      ARG  26   8.220  -0.332   9.741
  203    HD3  ARG  26           3HD      ARG  26   8.180  -1.913  10.550
  204   HH11  ARG  26          1HH2      ARG  26  10.329  -0.360   9.440
  205   HH12  ARG  26          2HH2      ARG  26  11.593  -0.745   8.332
  206   HH21  ARG  26          1HH1      ARG  26   9.618  -3.247   6.695
  207   HH22  ARG  26          2HH1      ARG  26  11.196  -2.477   6.671
  208    H    VAL  27           H        VAL  27   3.530  -2.749   9.172
  209    HA   VAL  27           HA       VAL  27   2.057  -1.091  11.115
  210    HB   VAL  27           HB       VAL  27   0.441  -1.585   9.425
  211   HG11  VAL  27          1HG1      VAL  27   1.187  -4.517   9.646
  212   HG12  VAL  27          2HG1      VAL  27  -0.218  -3.883   8.767
  213   HG13  VAL  27          3HG1      VAL  27   1.411  -3.470   8.228
  214   HG21  VAL  27          3HG2      VAL  27  -0.046  -3.546  11.700
  215   HG22  VAL  27          1HG2      VAL  27  -0.253  -1.783  11.807
  216   HG23  VAL  27          2HG2      VAL  27  -1.252  -2.722  10.692
  217    H    HIS  28           H        HIS  28   1.876  -2.124  13.146
  218    HA   HIS  28           HA       HIS  28   3.818  -4.358  13.594
  219    HD1  HIS  28           HD1      HIS  28   6.497  -3.196  13.616
  220    HD2  HIS  28           HD2      HIS  28   4.071   0.217  14.082
  221    HE1  HIS  28           HE1      HIS  28   7.812  -1.233  12.659
  222    HB2  HIS  28           2HB      HIS  28   3.232  -1.913  15.315
  223    HB3  HIS  28           3HB      HIS  28   4.443  -3.151  15.624
  224    H    SER  29           H        SER  29   3.195  -5.904  15.135
  225    HA   SER  29           HA       SER  29   0.475  -6.269  15.757
  226    HG   SER  29           HG       SER  29   2.041  -9.221  15.613
  227    HB2  SER  29           2HB      SER  29   2.934  -7.428  17.113
  228    HB3  SER  29           3HB      SER  29   1.275  -8.045  17.243
  229    H    ALA  30           H        ALA  30  -0.592  -4.739  16.875
  230    HA   ALA  30           HA       ALA  30  -0.128  -4.702  19.749
  231    HB1  ALA  30           3HB      ALA  30   1.103  -2.683  18.993
  232    HB2  ALA  30           1HB      ALA  30  -0.360  -2.085  18.186
  233    HB3  ALA  30           2HB      ALA  30  -0.318  -2.249  19.951
  234    HA   PRO  31           HA       PRO  31  -4.465  -4.151  17.687
  235    HB2  PRO  31           2HB      PRO  31  -5.609  -6.659  17.578
  236    HB3  PRO  31           3HB      PRO  31  -4.691  -5.889  16.248
  237    HG2  PRO  31           2HG      PRO  31  -3.704  -7.896  18.280
  238    HG3  PRO  31           3HG      PRO  31  -3.404  -7.849  16.506
  239    HD2  PRO  31           2HD      PRO  31  -1.578  -6.919  18.296
  240    HD3  PRO  31           3HD      PRO  31  -1.845  -6.160  16.696
  241    H    ARG  32           H        ARG  32  -6.113  -3.696  18.928
  242    HA   ARG  32           HA       ARG  32  -6.849  -2.813  20.881
  243    HE   ARG  32           HE       ARG  32 -10.236  -3.224  21.436
  244    HB2  ARG  32           2HB      ARG  32  -7.515  -5.744  21.292
  245    HB3  ARG  32           3HB      ARG  32  -8.361  -4.383  22.016
  246    HG2  ARG  32           2HG      ARG  32  -8.268  -5.074  19.050
  247    HG3  ARG  32           3HG      ARG  32  -9.633  -5.285  20.131
  248    HD2  ARG  32           2HD      ARG  32  -8.427  -2.595  19.329
  249    HD3  ARG  32           3HD      ARG  32  -9.881  -3.323  18.648
  250   HH11  ARG  32          1HH2      ARG  32  -9.975  -0.879  18.723
  251   HH12  ARG  32          2HH2      ARG  32 -10.954   0.291  19.518
  252   HH21  ARG  32          1HH1      ARG  32 -11.510  -1.619  22.445
  253   HH22  ARG  32          2HH1      ARG  32 -11.833  -0.126  21.656
  254    H    SER  33           H        SER  33  -3.985  -3.381  21.166
  255    HA   SER  33           HA       SER  33  -2.353  -3.767  22.643
  256    HG   SER  33           HG       SER  33  -3.283  -0.508  23.802
  257    HB2  SER  33           2HB      SER  33  -4.259  -2.426  24.598
  258    HB3  SER  33           3HB      SER  33  -2.489  -2.472  24.692
  259    H    GLY  34           H        GLY  34  -3.945  -6.078  22.263
  260    HA2  GLY  34           2HA      GLY  34  -3.713  -7.475  24.877
  261    HA3  GLY  34           1HA      GLY  34  -5.289  -7.370  24.077
  262    H    ALA  35           H        ALA  35  -2.038  -7.816  22.606
  263    HA   ALA  35           HA       ALA  35  -2.592 -10.661  22.124
  264    HB1  ALA  35           3HB      ALA  35  -3.332  -9.566  20.042
  265    HB2  ALA  35           1HB      ALA  35  -1.773  -8.714  19.920
  266    HB3  ALA  35           2HB      ALA  35  -1.838 -10.482  19.767
  267    HA   PRO  36           HA       PRO  36   1.575 -10.537  23.600
  268    HB2  PRO  36           2HB      PRO  36   2.428 -13.099  23.199
  269    HB3  PRO  36           3HB      PRO  36   1.114 -12.688  24.342
  270    HG2  PRO  36           2HG      PRO  36   0.846 -13.657  21.475
  271    HG3  PRO  36           3HG      PRO  36   0.021 -14.290  22.936
  272    HD2  PRO  36           2HD      PRO  36  -1.172 -12.481  21.277
  273    HD3  PRO  36           3HD      PRO  36  -1.417 -12.429  23.049
  274    H    ALA  37           H        ALA  37   0.997 -11.194  20.210
  275    HA   ALA  37           HA       ALA  37   3.657 -11.624  19.312
  276    HB1  ALA  37           3HB      ALA  37   1.650 -12.135  17.965
  277    HB2  ALA  37           1HB      ALA  37   1.268 -10.401  17.855
  278    HB3  ALA  37           2HB      ALA  37   2.740 -11.045  17.092
  279    H    ALA  38           H        ALA  38   5.123 -10.219  18.289
  280    HA   ALA  38           HA       ALA  38   4.736  -7.295  18.461
  281    HB1  ALA  38           3HB      ALA  38   5.927  -7.982  20.546
  282    HB2  ALA  38           1HB      ALA  38   7.183  -8.762  19.554
  283    HB3  ALA  38           2HB      ALA  38   6.950  -7.000  19.485
  284    H    GLU  39           H        GLU  39   4.548  -9.183  16.299
  285    HA   GLU  39           HA       GLU  39   6.987  -8.942  14.699
  286    HB2  GLU  39           2HB      GLU  39   4.200 -10.015  14.054
  287    HB3  GLU  39           3HB      GLU  39   5.587 -10.103  12.973
  288    HG2  GLU  39           2HG      GLU  39   5.326 -11.495  15.670
  289    HG3  GLU  39           3HG      GLU  39   5.195 -12.240  14.086
  290    H    SER  40           H        SER  40   6.365  -8.216  12.285
  291    HA   SER  40           HA       SER  40   4.609  -5.877  12.226
  292    HG   SER  40           HG       SER  40   8.042  -4.987  13.094
  293    HB2  SER  40           2HB      SER  40   7.474  -5.734  11.236
  294    HB3  SER  40           3HB      SER  40   6.280  -4.434  11.228
  295    H    LYS  41           H        LYS  41   4.245  -5.197   9.975
  296    HA   LYS  41           HA       LYS  41   4.676  -7.186   7.835
  297    HB2  LYS  41           2HB      LYS  41   2.720  -8.087   8.791
  298    HB3  LYS  41           3HB      LYS  41   2.062  -6.518   9.223
  299    HG2  LYS  41           2HG      LYS  41   1.424  -6.048   6.944
  300    HG3  LYS  41           3HG      LYS  41   2.233  -7.535   6.368
  301    HD2  LYS  41           2HD      LYS  41   0.673  -8.864   7.768
  302    HD3  LYS  41           3HD      LYS  41  -0.133  -7.348   8.260
  303    HE2  LYS  41           2HE      LYS  41  -0.983  -6.938   6.120
  304    HE3  LYS  41           3HE      LYS  41   0.119  -8.079   5.326
  305    HZ1  LYS  41           3HZ      LYS  41  -1.137  -9.878   6.088
  306    HZ2  LYS  41           1HZ      LYS  41  -1.883  -9.027   7.273
  307    HZ3  LYS  41           2HZ      LYS  41  -2.324  -8.792   5.729
  308    H    GLU  42           H        GLU  42   3.872  -6.174   5.731
  309    HA   GLU  42           HA       GLU  42   3.770  -3.197   5.820
  310    HB2  GLU  42           2HB      GLU  42   5.297  -4.982   3.864
  311    HB3  GLU  42           3HB      GLU  42   4.844  -3.324   3.548
  312    HG2  GLU  42           2HG      GLU  42   7.042  -3.136   4.242
  313    HG3  GLU  42           3HG      GLU  42   6.101  -2.622   5.633
  314    H    ILE  43           H        ILE  43   1.787  -2.631   5.152
  315    HA   ILE  43           HA       ILE  43   0.361  -4.344   3.182
  316    HB   ILE  43           HB       ILE  43  -1.673  -3.181   3.907
  317   HG12  ILE  43          2HG1      ILE  43   0.032  -1.887   6.074
  318   HG13  ILE  43          3HG1      ILE  43  -0.733  -1.064   4.708
  319   HG21  ILE  43          1HG2      ILE  43  -0.214  -4.455   6.247
  320   HG22  ILE  43          2HG2      ILE  43  -1.960  -4.462   5.911
  321   HG23  ILE  43          3HG2      ILE  43  -0.869  -5.342   4.845
  322   HD11  ILE  43          3HD1      ILE  43  -2.975  -1.701   5.608
  323   HD12  ILE  43          1HD1      ILE  43  -2.173  -2.417   7.025
  324   HD13  ILE  43          2HD1      ILE  43  -2.034  -0.687   6.711
  325    H    VAL  44           H        VAL  44  -0.692  -3.387   1.445
  326    HA   VAL  44           HA       VAL  44   0.599  -0.887   0.423
  327    HB   VAL  44           HB       VAL  44  -0.372  -3.371  -1.061
  328   HG11  VAL  44          1HG1      VAL  44   1.332  -1.054  -2.054
  329   HG12  VAL  44          2HG1      VAL  44   0.864  -2.488  -2.986
  330   HG13  VAL  44          3HG1      VAL  44  -0.374  -1.337  -2.474
  331   HG21  VAL  44          3HG2      VAL  44   2.481  -2.604  -0.322
  332   HG22  VAL  44          1HG2      VAL  44   1.579  -4.016   0.269
  333   HG23  VAL  44          2HG2      VAL  44   2.023  -3.913  -1.432
  334    H    ARG  45           H        ARG  45  -0.819   0.766  -0.055
  335    HA   ARG  45           HA       ARG  45  -3.733   0.185  -0.465
  336    HE   ARG  45           HE       ARG  45  -4.007  -1.303   0.980
  337    HB2  ARG  45           2HB      ARG  45  -2.486   2.446   1.177
  338    HB3  ARG  45           3HB      ARG  45  -4.197   2.264   0.852
  339    HG2  ARG  45           2HG      ARG  45  -2.529   0.377   2.578
  340    HG3  ARG  45           3HG      ARG  45  -3.501   1.721   3.130
  341    HD2  ARG  45           2HD      ARG  45  -4.999  -0.005   3.474
  342    HD3  ARG  45           3HD      ARG  45  -5.486   0.496   1.856
  343   HH11  ARG  45          1HH2      ARG  45  -5.429  -1.800   4.224
  344   HH12  ARG  45          2HH2      ARG  45  -4.779  -3.405   4.357
  345   HH21  ARG  45          1HH1      ARG  45  -3.143  -3.296   1.241
  346   HH22  ARG  45          2HH1      ARG  45  -3.531  -4.301   2.632
  347    H    GLY  46           H        GLY  46  -4.716   1.646  -1.993
  348    HA2  GLY  46           2HA      GLY  46  -3.691   4.201  -2.554
  349    HA3  GLY  46           1HA      GLY  46  -3.115   3.117  -3.831
  350    H    TYR  47           H        TYR  47  -5.259   5.373  -3.610
  351    HA   TYR  47           HA       TYR  47  -7.288   4.104  -5.283
  352    HD1  TYR  47           HD2      TYR  47  -6.780   4.606  -1.115
  353    HD2  TYR  47           HD1      TYR  47  -9.331   2.116  -3.524
  354    HE1  TYR  47           HE2      TYR  47  -6.525   2.767   0.539
  355    HE2  TYR  47           HE1      TYR  47  -9.092   0.270  -1.885
  356    HH   TYR  47           HH       TYR  47  -8.173  -0.399   0.134
  357    HB2  TYR  47           2HB      TYR  47  -8.254   5.551  -2.804
  358    HB3  TYR  47           3HB      TYR  47  -9.174   4.551  -3.910
  359    H    LYS  48           H        LYS  48  -8.515   5.743  -6.388
  360    HA   LYS  48           HA       LYS  48  -7.149   8.198  -6.826
  361    HB2  LYS  48           2HB      LYS  48  -8.890   8.742  -8.357
  362    HB3  LYS  48           3HB      LYS  48  -8.555   7.018  -8.499
  363    HG2  LYS  48           2HG      LYS  48 -10.587   6.578  -7.035
  364    HG3  LYS  48           3HG      LYS  48 -10.927   8.318  -7.078
  365    HD2  LYS  48           2HD      LYS  48 -10.993   8.199  -9.585
  366    HD3  LYS  48           3HD      LYS  48 -10.822   6.444  -9.489
  367    HE2  LYS  48           2HE      LYS  48 -13.082   8.075  -8.229
  368    HE3  LYS  48           3HE      LYS  48 -13.180   7.281  -9.800
  369    HZ1  LYS  48           3HZ      LYS  48 -12.878   5.150  -8.688
  370    HZ2  LYS  48           1HZ      LYS  48 -12.811   5.876  -7.218
  371    HZ3  LYS  48           2HZ      LYS  48 -14.178   5.928  -8.098
  372    H    TRP  49           H        TRP  49  -9.694   7.460  -4.460
  373    HA   TRP  49           HA       TRP  49 -10.450  10.195  -4.081
  374    HD1  TRP  49           HD1      TRP  49 -12.296   6.194  -3.237
  375    HE1  TRP  49           HE1      TRP  49 -11.601   4.267  -1.726
  376    HE3  TRP  49           HE3      TRP  49  -8.920   8.663  -0.265
  377    HZ2  TRP  49           HZ2      TRP  49  -9.829   3.845   0.540
  378    HZ3  TRP  49           HZ3      TRP  49  -7.644   7.444   1.439
  379    HH2  TRP  49           HH2      TRP  49  -8.060   5.008   1.838
  380    HB2  TRP  49           2HB      TRP  49 -11.341   9.417  -1.882
  381    HB3  TRP  49           3HB      TRP  49 -11.988   8.670  -3.318
  382    H    ALA  50           H        ALA  50  -7.602   8.402  -3.009
  383    HA   ALA  50           HA       ALA  50  -6.842  10.523  -1.135
  384    HB1  ALA  50           3HB      ALA  50  -6.130   8.320  -0.573
  385    HB2  ALA  50           1HB      ALA  50  -5.328   8.098  -2.158
  386    HB3  ALA  50           2HB      ALA  50  -4.723   9.303  -0.995
  387    H    GLU  51           H        GLU  51  -7.120  12.274  -2.613
  388    HA   GLU  51           HA       GLU  51  -5.577  12.572  -4.995
  389    HB2  GLU  51           2HB      GLU  51  -7.612  13.853  -4.379
  390    HB3  GLU  51           3HB      GLU  51  -6.721  14.673  -3.095
  391    HG2  GLU  51           2HG      GLU  51  -5.271  15.762  -4.746
  392    HG3  GLU  51           3HG      GLU  51  -5.983  14.807  -6.051
  393    H    TYR  52           H        TYR  52  -4.595  12.546  -1.691
  394    HA   TYR  52           HA       TYR  52  -1.883  13.448  -2.362
  395    HD1  TYR  52           HD1      TYR  52  -4.593  15.952  -2.025
  396    HD2  TYR  52           HD2      TYR  52  -3.726  14.133   1.772
  397    HE1  TYR  52           HE1      TYR  52  -6.811  16.705  -1.175
  398    HE2  TYR  52           HE2      TYR  52  -5.928  14.869   2.646
  399    HH   TYR  52           HH       TYR  52  -8.267  16.737   0.648
  400    HB2  TYR  52           2HB      TYR  52  -1.985  14.448   0.102
  401    HB3  TYR  52           3HB      TYR  52  -2.293  15.391  -1.340
  402    H    HIS  53           H        HIS  53  -0.316  12.554  -0.582
  403    HA   HIS  53           HA       HIS  53  -1.010   9.703  -0.474
  404    HD2  HIS  53           HD2      HIS  53   1.673  12.754  -1.626
  405    HE1  HIS  53           HE1      HIS  53   2.775   9.672  -4.323
  406    HE2  HIS  53           HE2      HIS  53   2.689  12.184  -3.976
  407    HB2  HIS  53           2HB      HIS  53   1.480  11.111   0.569
  408    HB3  HIS  53           3HB      HIS  53   1.271   9.403   0.264
  409    H    ALA  54           H        ALA  54  -0.518  12.484   1.697
  410    HA   ALA  54           HA       ALA  54  -0.748  11.195   4.173
  411    HB1  ALA  54           3HB      ALA  54  -0.252  13.611   3.899
  412    HB2  ALA  54           1HB      ALA  54  -1.929  13.894   3.383
  413    HB3  ALA  54           2HB      ALA  54  -1.590  13.346   5.034
  414    H    ASP  55           H        ASP  55  -3.350  11.586   1.770
  415    HA   ASP  55           HA       ASP  55  -5.482  11.494   3.700
  416    HB2  ASP  55           2HB      ASP  55  -5.633  12.256   1.231
  417    HB3  ASP  55           3HB      ASP  55  -5.681  10.561   0.823
  418    H    ILE  56           H        ILE  56  -3.987   8.979   1.591
  419    HA   ILE  56           HA       ILE  56  -5.547   6.835   2.714
  420    HB   ILE  56           HB       ILE  56  -3.325   5.532   1.838
  421   HG12  ILE  56          2HG1      ILE  56  -3.261   8.104   0.263
  422   HG13  ILE  56          3HG1      ILE  56  -1.967   7.176   1.012
  423   HG21  ILE  56          1HG2      ILE  56  -5.678   6.300   0.132
  424   HG22  ILE  56          2HG2      ILE  56  -4.630   4.872  -0.045
  425   HG23  ILE  56          3HG2      ILE  56  -5.631   5.038   1.387
  426   HD11  ILE  56          3HD1      ILE  56  -2.357   5.403  -0.757
  427   HD12  ILE  56          1HD1      ILE  56  -3.551   6.477  -1.510
  428   HD13  ILE  56          2HD1      ILE  56  -1.856   6.983  -1.400
  429    H    TYR  57           H        TYR  57  -2.339   8.275   3.525
  430    HA   TYR  57           HA       TYR  57  -1.731   6.204   5.372
  431    HD1  TYR  57           HD1      TYR  57   0.147   5.588   6.426
  432    HD2  TYR  57           HD2      TYR  57   0.171   9.777   7.466
  433    HE1  TYR  57           HE1      TYR  57   1.222   5.032   8.565
  434    HE2  TYR  57           HE2      TYR  57   1.278   9.234   9.611
  435    HH   TYR  57           HH       TYR  57   2.016   5.872  10.628
  436    HB2  TYR  57           2HB      TYR  57  -0.006   7.785   4.652
  437    HB3  TYR  57           3HB      TYR  57  -0.859   9.113   5.448
  438    H    ASP  58           H        ASP  58  -3.361   9.418   5.971
  439    HA   ASP  58           HA       ASP  58  -3.777   8.977   8.721
  440    HB2  ASP  58           2HB      ASP  58  -4.045  11.164   7.684
  441    HB3  ASP  58           3HB      ASP  58  -5.407  10.583   6.719
  442    H    LYS  59           H        LYS  59  -5.901   8.161   5.947
  443    HA   LYS  59           HA       LYS  59  -8.139   7.139   7.379
  444    HB2  LYS  59           2HB      LYS  59  -8.051   7.643   4.936
  445    HB3  LYS  59           3HB      LYS  59  -6.877   6.367   4.706
  446    HG2  LYS  59           2HG      LYS  59  -8.633   5.150   4.049
  447    HG3  LYS  59           3HG      LYS  59  -8.841   4.843   5.755
  448    HD2  LYS  59           2HD      LYS  59 -10.967   5.372   4.795
  449    HD3  LYS  59           3HD      LYS  59 -10.509   6.712   5.867
  450    HE2  LYS  59           2HE      LYS  59  -9.763   8.012   3.854
  451    HE3  LYS  59           3HE      LYS  59 -10.216   6.652   2.821
  452    HZ1  LYS  59           3HZ      LYS  59 -12.514   6.960   3.535
  453    HZ2  LYS  59           1HZ      LYS  59 -12.096   8.216   4.495
  454    HZ3  LYS  59           2HZ      LYS  59 -11.938   8.335   2.878
  455    H    VAL  60           H        VAL  60  -5.250   5.359   6.099
  456    HA   VAL  60           HA       VAL  60  -6.362   2.941   7.263
  457    HB   VAL  60           HB       VAL  60  -3.881   3.426   5.587
  458   HG11  VAL  60          1HG1      VAL  60  -5.279   0.813   6.352
  459   HG12  VAL  60          2HG1      VAL  60  -3.917   0.974   5.221
  460   HG13  VAL  60          3HG1      VAL  60  -3.679   1.332   6.920
  461   HG21  VAL  60          3HG2      VAL  60  -6.721   2.456   4.943
  462   HG22  VAL  60          1HG2      VAL  60  -5.979   3.971   4.388
  463   HG23  VAL  60          2HG2      VAL  60  -5.386   2.449   3.790
  464    H    SER  61           H        SER  61  -3.558   5.094   8.167
  465    HA   SER  61           HA       SER  61  -2.674   3.254  10.195
  466    HG   SER  61           HG       SER  61  -1.655   7.184  10.091
  467    HB2  SER  61           2HB      SER  61  -1.427   5.082  11.108
  468    HB3  SER  61           3HB      SER  61  -1.282   5.116   9.345
  469    H    GLY  62           H        GLY  62  -5.133   5.856  10.043
  470    HA2  GLY  62           2HA      GLY  62  -6.030   5.808  12.709
  471    HA3  GLY  62           1HA      GLY  62  -7.015   6.170  11.276
  472    H    ASP  63           H        ASP  63  -7.156   3.778   9.881
  473    HA   ASP  63           HA       ASP  63  -8.966   2.257  11.431
  474    HB2  ASP  63           2HB      ASP  63  -8.937   2.319   8.942
  475    HB3  ASP  63           3HB      ASP  63  -7.505   1.281   8.959
  476    H    MET  64           H        MET  64  -5.505   1.601  10.671
  477    HA   MET  64           HA       MET  64  -5.393  -0.907  12.024
  478    HB2  MET  64           2HB      MET  64  -3.214   1.190  11.621
  479    HB3  MET  64           3HB      MET  64  -2.939  -0.433  12.216
  480    HG2  MET  64           2HG      MET  64  -3.933   0.281   9.444
  481    HG3  MET  64           3HG      MET  64  -2.390  -0.409   9.881
  482    HE1  MET  64           3HE      MET  64  -6.248  -1.066   9.689
  483    HE2  MET  64           1HE      MET  64  -5.372  -1.079   8.125
  484    HE3  MET  64           2HE      MET  64  -6.122  -2.567   8.745
  485    H    GLN  65           H        GLN  65  -4.820   2.433  13.243
  486    HA   GLN  65           HA       GLN  65  -4.264   1.617  15.907
  487    HB2  GLN  65           2HB      GLN  65  -5.110   4.181  14.538
  488    HB3  GLN  65           3HB      GLN  65  -4.972   4.138  16.296
  489    HG2  GLN  65           2HG      GLN  65  -2.643   3.226  14.551
  490    HG3  GLN  65           3HG      GLN  65  -2.940   4.931  14.844
  491   HE21  GLN  65          2HE2      GLN  65  -2.076   1.861  16.435
  492   HE22  GLN  65          1HE2      GLN  65  -1.529   2.588  17.938
  493    H    LYS  66           H        LYS  66  -7.388   2.216  14.252
  494    HA   LYS  66           HA       LYS  66  -8.934   1.967  16.699
  495    HB2  LYS  66           2HB      LYS  66  -9.645   1.675  13.753
  496    HB3  LYS  66           3HB      LYS  66 -10.809   1.388  15.053
  497    HG2  LYS  66           2HG      LYS  66 -10.473   3.638  15.942
  498    HG3  LYS  66           3HG      LYS  66  -9.262   4.003  14.723
  499    HD2  LYS  66           2HD      LYS  66 -12.176   3.348  14.121
  500    HD3  LYS  66           3HD      LYS  66 -11.526   4.981  14.306
  501    HE2  LYS  66           2HE      LYS  66  -9.979   4.598  12.381
  502    HE3  LYS  66           3HE      LYS  66 -10.664   2.977  12.179
  503    HZ1  LYS  66           3HZ      LYS  66 -12.811   4.009  11.722
  504    HZ2  LYS  66           1HZ      LYS  66 -12.183   5.505  11.912
  505    HZ3  LYS  66           2HZ      LYS  66 -11.690   4.564  10.679
  506    H    GLN  67           H        GLN  67  -7.717  -0.433  14.253
  507    HA   GLN  67           HA       GLN  67  -8.772  -2.676  15.746
  508    HB2  GLN  67           2HB      GLN  67  -6.381  -2.578  13.854
  509    HB3  GLN  67           3HB      GLN  67  -7.146  -4.028  14.503
  510    HG2  GLN  67           2HG      GLN  67  -9.287  -3.385  13.373
  511    HG3  GLN  67           3HG      GLN  67  -8.495  -1.967  12.697
  512   HE21  GLN  67          2HE2      GLN  67  -8.347  -2.384  10.460
  513   HE22  GLN  67          1HE2      GLN  67  -7.705  -3.885   9.828
  514    H    GLY  68           H        GLY  68  -5.983  -0.604  16.168
  515    HA2  GLY  68           2HA      GLY  68  -5.252  -0.280  18.487
  516    HA3  GLY  68           1HA      GLY  68  -5.153  -2.031  18.651
  517    H    CYS  69           H        CYS  69  -4.171  -1.909  15.667
  518    HA   CYS  69           HA       CYS  69  -1.406  -2.426  16.204
  519    HG   CYS  69           HG       CYS  69  -2.889  -4.554  13.209
  520    HB2  CYS  69           2HB      CYS  69  -3.060  -1.994  13.685
  521    HB3  CYS  69           3HB      CYS  69  -1.353  -2.455  13.666
  522    H    ASP  70           H        ASP  70   0.420  -1.227  15.421
  523    HA   ASP  70           HA       ASP  70  -0.028   1.733  15.244
  524    HB2  ASP  70           2HB      ASP  70   1.146   1.078  17.283
  525    HB3  ASP  70           3HB      ASP  70   2.308   0.134  16.345
  526    H    CYS  71           H        CYS  71   1.453   2.860  13.715
  527    HA   CYS  71           HA       CYS  71   2.403   1.118  11.509
  528    HG   CYS  71           HG       CYS  71  -1.248   1.481  10.052
  529    HB2  CYS  71           2HB      CYS  71   0.227   3.262  11.352
  530    HB3  CYS  71           3HB      CYS  71   1.020   2.576   9.938
  531    H    GLU  72           H        GLU  72   3.581   2.230   9.809
  532    HA   GLU  72           HA       GLU  72   4.124   5.102  10.075
  533    HB2  GLU  72           2HB      GLU  72   5.924   4.118  11.396
  534    HB3  GLU  72           3HB      GLU  72   6.272   2.925  10.133
  535    HG2  GLU  72           2HG      GLU  72   7.019   4.635   8.611
  536    HG3  GLU  72           3HG      GLU  72   6.434   5.923   9.670
  537    H    CYS  73           H        CYS  73   3.891   5.906   7.959
  538    HA   CYS  73           HA       CYS  73   3.747   4.089   5.688
  539    HG   CYS  73           HG       CYS  73   2.986   8.521   5.563
  540    HB2  CYS  73           2HB      CYS  73   3.826   6.339   4.402
  541    HB3  CYS  73           3HB      CYS  73   2.389   5.962   5.335
  542    H    LEU  74           H        LEU  74   5.532   3.180   4.849
  543    HA   LEU  74           HA       LEU  74   8.220   4.116   5.481
  544    HG   LEU  74           HG       LEU  74   6.774   1.182   5.629
  545    HB2  LEU  74           2HB      LEU  74   7.270   2.078   3.421
  546    HB3  LEU  74           3HB      LEU  74   8.940   2.390   3.871
  547   HD11  LEU  74          1HD1      LEU  74   9.430   0.045   4.649
  548   HD12  LEU  74          2HD1      LEU  74   8.189  -0.804   5.597
  549   HD13  LEU  74          3HD1      LEU  74   7.849  -0.313   3.933
  550   HD21  LEU  74          3HD2      LEU  74   9.629   1.960   6.378
  551   HD22  LEU  74          1HD2      LEU  74   8.120   2.560   7.111
  552   HD23  LEU  74          2HD2      LEU  74   8.598   0.881   7.338
  553    H    GLY  75           H        GLY  75   5.822   4.772   2.977
  554    HA2  GLY  75           2HA      GLY  75   6.930   7.211   2.311
  555    HA3  GLY  75           1HA      GLY  75   7.551   6.078   1.102
  556    H    GLY  76           H        GLY  76   6.192   7.749  -0.168
  557    HA2  GLY  76           2HA      GLY  76   3.601   6.441  -0.781
  558    HA3  GLY  76           1HA      GLY  76   3.679   8.202  -0.654
  559    H    GLY  77           H        GLY  77   2.874   7.097  -2.986
  560    HA2  GLY  77           2HA      GLY  77   4.649   8.050  -4.993
  561    HA3  GLY  77           1HA      GLY  77   4.709   6.274  -4.928
  562    H    ARG  78           H        ARG  78   3.575   6.234  -7.079
  563    HA   ARG  78           HA       ARG  78   0.673   6.299  -6.629
  564    HE   ARG  78           HE       ARG  78   3.105   8.834 -11.584
  565    HB2  ARG  78           2HB      ARG  78   0.139   7.529  -8.608
  566    HB3  ARG  78           3HB      ARG  78   1.159   8.519  -7.578
  567    HG2  ARG  78           2HG      ARG  78   3.097   8.037  -9.095
  568    HG3  ARG  78           3HG      ARG  78   2.020   7.042 -10.111
  569    HD2  ARG  78           2HD      ARG  78   0.524   9.038 -10.380
  570    HD3  ARG  78           3HD      ARG  78   1.696  10.008  -9.466
  571   HH11  ARG  78          1HH1      ARG  78   0.441  11.151 -11.178
  572   HH12  ARG  78          2HH1      ARG  78   0.736  11.980 -12.658
  573   HH21  ARG  78          1HH2      ARG  78   3.551  10.001 -13.536
  574   HH22  ARG  78          2HH2      ARG  78   2.508  11.280 -14.046
  575    H    ILE  79           H        ILE  79  -0.504   5.194  -8.261
  576    HA   ILE  79           HA       ILE  79   1.005   2.974  -9.536
  577    HB   ILE  79           HB       ILE  79  -1.732   3.052  -8.205
  578   HG12  ILE  79          2HG1      ILE  79   0.582   1.108  -7.767
  579   HG13  ILE  79          3HG1      ILE  79   0.393   2.576  -6.827
  580   HG21  ILE  79          1HG2      ILE  79  -0.566   0.843  -9.971
  581   HG22  ILE  79          2HG2      ILE  79  -2.058   0.704  -9.016
  582   HG23  ILE  79          3HG2      ILE  79  -1.986   1.844 -10.344
  583   HD11  ILE  79          3HD1      ILE  79  -1.852   1.783  -6.055
  584   HD12  ILE  79          1HD1      ILE  79  -1.558   0.240  -6.893
  585   HD13  ILE  79          2HD1      ILE  79  -0.506   0.738  -5.562
  586    H    SER  80           H        SER  80   0.619   2.806 -11.683
  587    HA   SER  80           HA       SER  80  -1.456   4.407 -13.023
  588    HG   SER  80           HG       SER  80   1.465   6.659 -12.975
  589    HB2  SER  80           2HB      SER  80   1.407   4.580 -13.973
  590    HB3  SER  80           3HB      SER  80   0.019   5.617 -14.362
  591    H    HIS  81           H        HIS  81  -0.962   3.872 -15.616
  592    HA   HIS  81           HA       HIS  81  -0.222   1.009 -15.894
  593    HD1  HIS  81           HD1      HIS  81  -3.602   3.782 -15.387
  594    HD2  HIS  81           HD2      HIS  81  -3.145   2.033 -19.199
  595    HE1  HIS  81           HE1      HIS  81  -4.862   5.271 -17.025
  596    HB2  HIS  81           2HB      HIS  81  -2.258   0.587 -17.160
  597    HB3  HIS  81           3HB      HIS  81  -2.649   1.137 -15.538
  598    H    GLN  82           H        GLN  82   1.125   3.604 -16.622
  599    HA   GLN  82           HA       GLN  82   0.621   4.212 -19.365
  600    HB2  GLN  82           2HB      GLN  82   3.022   4.836 -17.587
  601    HB3  GLN  82           3HB      GLN  82   2.730   5.541 -19.180
  602    HG2  GLN  82           2HG      GLN  82   0.602   6.530 -18.376
  603    HG3  GLN  82           3HG      GLN  82   0.879   5.853 -16.772
  604   HE21  GLN  82          2HE2      GLN  82   1.987   8.307 -19.108
  605   HE22  GLN  82          1HE2      GLN  82   2.944   9.217 -17.968
  606    H    SER  83           H        SER  83   2.867   1.900 -17.836
  607    HA   SER  83           HA       SER  83   4.650   1.547 -19.983
  608    HG   SER  83           HG       SER  83   5.650   0.470 -16.798
  609    HB2  SER  83           2HB      SER  83   3.750  -0.387 -17.811
  610    HB3  SER  83           3HB      SER  83   5.224  -0.540 -18.798
  611    H    GLN  84           H        GLN  84   4.255   0.814 -21.984
  612    HA   GLN  84           HA       GLN  84   3.182   0.024 -23.785
  613    HB2  GLN  84           2HB      GLN  84   2.538  -2.398 -22.055
  614    HB3  GLN  84           3HB      GLN  84   2.565  -2.343 -23.813
  615    HG2  GLN  84           2HG      GLN  84   4.958  -2.028 -21.958
  616    HG3  GLN  84           3HG      GLN  84   4.579  -3.421 -22.955
  617   HE21  GLN  84          2HE2      GLN  84   6.818  -1.131 -22.865
  618   HE22  GLN  84          1HE2      GLN  84   7.016  -0.764 -24.558
  619    H    ASP  85           H        ASP  85   1.603   1.648 -21.854
  620    HA   ASP  85           HA       ASP  85  -0.419   2.320 -21.277
  621    HB2  ASP  85           2HB      ASP  85  -0.397   2.766 -23.730
  622    HB3  ASP  85           3HB      ASP  85  -1.287   1.265 -23.984
  623    H    LYS  86           H        LYS  86   0.238  -0.550 -20.573
  624    HA   LYS  86           HA       LYS  86  -2.499  -1.506 -19.919
  625    HB2  LYS  86           2HB      LYS  86  -0.485  -3.065 -21.598
  626    HB3  LYS  86           3HB      LYS  86  -1.860  -3.806 -20.775
  627    HG2  LYS  86           2HG      LYS  86  -3.431  -2.392 -22.055
  628    HG3  LYS  86           3HG      LYS  86  -2.087  -1.674 -22.944
  629    HD2  LYS  86           2HD      LYS  86  -2.840  -4.622 -22.946
  630    HD3  LYS  86           3HD      LYS  86  -3.243  -3.470 -24.211
  631    HE2  LYS  86           2HE      LYS  86  -0.420  -4.318 -23.408
  632    HE3  LYS  86           3HE      LYS  86  -1.319  -4.902 -24.808
  633    HZ1  LYS  86           3HZ      LYS  86  -1.337  -2.602 -25.649
  634    HZ2  LYS  86           1HZ      LYS  86  -0.394  -2.114 -24.389
  635    HZ3  LYS  86           2HZ      LYS  86   0.174  -3.184 -25.483
  636    H    LYS  87           H        LYS  87   1.067  -2.075 -19.618
  637    HA   LYS  87           HA       LYS  87   0.704  -3.969 -17.441
  638    HB2  LYS  87           2HB      LYS  87   2.640  -3.889 -19.080
  639    HB3  LYS  87           3HB      LYS  87   3.239  -2.459 -18.228
  640    HG2  LYS  87           2HG      LYS  87   3.475  -3.763 -16.163
  641    HG3  LYS  87           3HG      LYS  87   2.751  -5.173 -16.951
  642    HD2  LYS  87           2HD      LYS  87   5.390  -3.857 -17.734
  643    HD3  LYS  87           3HD      LYS  87   5.194  -5.360 -16.830
  644    HE2  LYS  87           2HE      LYS  87   3.874  -6.248 -18.857
  645    HE3  LYS  87           3HE      LYS  87   4.494  -4.847 -19.743
  646    HZ1  LYS  87           3HZ      LYS  87   6.758  -5.666 -19.173
  647    HZ2  LYS  87           1HZ      LYS  87   6.077  -6.997 -18.465
  648    HZ3  LYS  87           2HZ      LYS  87   5.916  -6.741 -20.071
  649    H    ILE  88           H        ILE  88   0.705  -3.494 -15.250
  650    HA   ILE  88           HA       ILE  88  -0.038  -0.779 -14.518
  651    HB   ILE  88           HB       ILE  88   0.529  -3.238 -12.814
  652   HG12  ILE  88          2HG1      ILE  88  -2.152  -2.175 -13.815
  653   HG13  ILE  88          3HG1      ILE  88  -1.329  -3.593 -14.460
  654   HG21  ILE  88          1HG2      ILE  88  -0.988  -0.672 -12.123
  655   HG22  ILE  88          2HG2      ILE  88  -0.757  -2.064 -11.045
  656   HG23  ILE  88          3HG2      ILE  88   0.624  -1.097 -11.516
  657   HD11  ILE  88          3HD1      ILE  88  -1.467  -4.692 -12.225
  658   HD12  ILE  88          1HD1      ILE  88  -2.487  -3.338 -11.671
  659   HD13  ILE  88          2HD1      ILE  88  -3.029  -4.369 -13.000
  660    H    HIS  89           H        HIS  89   1.293   0.643 -13.191
  661    HA   HIS  89           HA       HIS  89   4.138  -0.122 -12.931
  662    HD1  HIS  89           HD1      HIS  89   6.132  -0.062 -14.474
  663    HD2  HIS  89           HD2      HIS  89   5.562   4.017 -13.609
  664    HE1  HIS  89           HE1      HIS  89   8.453   0.971 -14.332
  665    HB2  HIS  89           2HB      HIS  89   3.621   1.271 -15.063
  666    HB3  HIS  89           3HB      HIS  89   3.347   2.617 -13.952
  667    H    VAL  90           H        VAL  90   5.200   0.960 -11.189
  668    HA   VAL  90           HA       VAL  90   3.481   2.553  -9.364
  669    HB   VAL  90           HB       VAL  90   5.242   0.236  -8.485
  670   HG11  VAL  90          1HG1      VAL  90   2.924   1.697  -7.104
  671   HG12  VAL  90          2HG1      VAL  90   3.974   0.462  -6.378
  672   HG13  VAL  90          3HG1      VAL  90   4.632   2.040  -6.834
  673   HG21  VAL  90          3HG2      VAL  90   2.243   0.122  -9.025
  674   HG22  VAL  90          1HG2      VAL  90   3.519  -0.847  -9.788
  675   HG23  VAL  90          2HG2      VAL  90   3.150  -1.083  -8.081
  676    H    TYR  91           H        TYR  91   4.612   4.428  -8.876
  677    HA   TYR  91           HA       TYR  91   7.354   4.381  -8.054
  678    HD1  TYR  91           HD1      TYR  91   5.011   4.889 -11.363
  679    HD2  TYR  91           HD2      TYR  91   8.341   7.596 -10.916
  680    HE1  TYR  91           HE1      TYR  91   3.974   6.408 -12.981
  681    HE2  TYR  91           HE2      TYR  91   7.344   9.115 -12.573
  682    HH   TYR  91           HH       TYR  91   4.331   8.241 -14.369
  683    HB2  TYR  91           2HB      TYR  91   8.406   5.569  -9.805
  684    HB3  TYR  91           3HB      TYR  91   7.628   4.233 -10.597
  685    H    GLY  92           H        GLY  92   8.030   6.703  -7.457
  686    HA2  GLY  92           2HA      GLY  92   7.148   9.073  -7.891
  687    HA3  GLY  92           1HA      GLY  92   5.682   8.514  -7.095
  688    H    TYR  93           H        TYR  93   6.642  10.585  -5.852
  689    HA   TYR  93           HA       TYR  93   7.485   9.369  -3.314
  690    HD1  TYR  93           HD1      TYR  93   8.775  11.658  -6.510
  691    HD2  TYR  93           HD2      TYR  93   9.062  13.395  -2.570
  692    HE1  TYR  93           HE1      TYR  93   8.930  13.902  -7.520
  693    HE2  TYR  93           HE2      TYR  93   9.207  15.648  -3.570
  694    HH   TYR  93           HH       TYR  93   9.127  16.192  -7.127
  695    HB2  TYR  93           2HB      TYR  93   9.054  11.072  -2.779
  696    HB3  TYR  93           3HB      TYR  93   9.559  10.336  -4.275
  697    H    SER  94           H        SER  94   6.679  10.338  -1.510
  698    HA   SER  94           HA       SER  94   4.502  12.331  -1.794
  699    HG   SER  94           HG       SER  94   3.844  12.663   0.797
  700    HB2  SER  94           2HB      SER  94   3.928  10.580  -0.297
  701    HB3  SER  94           3HB      SER  94   5.570  10.452   0.333
  702    H    MET  95           H        MET  95   4.763  14.380  -0.451
  703    HA   MET  95           HA       MET  95   7.646  15.182  -0.370
  704    HB2  MET  95           2HB      MET  95   6.950  17.426  -0.031
  705    HB3  MET  95           3HB      MET  95   6.215  16.793  -1.501
  706    HG2  MET  95           2HG      MET  95   4.088  16.514  -0.383
  707    HG3  MET  95           3HG      MET  95   4.754  16.977   1.171
  708    HE1  MET  95           3HE      MET  95   5.266  19.392   1.952
  709    HE2  MET  95           1HE      MET  95   6.521  19.560   0.702
  710    HE3  MET  95           2HE      MET  95   5.288  20.819   0.894
  711    H    ALA  96           H        ALA  96   4.725  14.562   1.648
  712    HA   ALA  96           HA       ALA  96   6.058  15.475   4.068
  713    HB1  ALA  96           3HB      ALA  96   3.643  15.552   3.909
  714    HB2  ALA  96           1HB      ALA  96   3.564  13.798   3.626
  715    HB3  ALA  96           2HB      ALA  96   4.101  14.425   5.200
  716    H    TYR  97           H        TYR  97   5.864  12.367   2.379
  717    HA   TYR  97           HA       TYR  97   7.343  11.066   4.623
  718    HD1  TYR  97           HD2      TYR  97   5.558  10.510   6.503
  719    HD2  TYR  97           HD1      TYR  97   3.227  11.035   2.910
  720    HE1  TYR  97           HE2      TYR  97   3.688  11.428   7.846
  721    HE2  TYR  97           HE1      TYR  97   1.349  11.854   4.227
  722    HH   TYR  97           HH       TYR  97   0.582  12.476   6.368
  723    HB2  TYR  97           2HB      TYR  97   5.276   9.803   2.807
  724    HB3  TYR  97           3HB      TYR  97   5.973   9.133   4.272
  725    H    GLY  98           H        GLY  98   7.741  11.891   1.334
  726    HA2  GLY  98           2HA      GLY  98   9.595  11.449   0.053
  727    HA3  GLY  98           1HA      GLY  98  10.147  10.286   1.257
  728    HA   PRO  99           HA       PRO  99   8.634   7.873  -2.487
  729    HB2  PRO  99           2HB      PRO  99  10.983   6.685  -3.179
  730    HB3  PRO  99           3HB      PRO  99  10.532   8.323  -3.733
  731    HG2  PRO  99           2HG      PRO  99  12.318   7.573  -1.402
  732    HG3  PRO  99           3HG      PRO  99  12.636   8.772  -2.696
  733    HD2  PRO  99           2HD      PRO  99  11.653   9.472  -0.239
  734    HD3  PRO  99           3HD      PRO  99  11.174  10.340  -1.727
  735    H    ALA 100           H        ALA 100   8.764   5.469  -2.696
  736    HA   ALA 100           HA       ALA 100   8.908   4.164  -0.012
  737    HB1  ALA 100           3HB      ALA 100   6.596   4.705  -0.722
  738    HB2  ALA 100           1HB      ALA 100   6.887   3.913  -2.272
  739    HB3  ALA 100           2HB      ALA 100   6.862   2.956  -0.763
  740    H    GLN 101           H        GLN 101   8.958   1.763  -0.177
  741    HA   GLN 101           HA       GLN 101  10.841   0.798  -2.213
  742    HB2  GLN 101           2HB      GLN 101   9.497  -0.580   0.149
  743    HB3  GLN 101           3HB      GLN 101  10.633  -1.358  -0.957
  744    HG2  GLN 101           2HG      GLN 101  11.245   0.967   0.903
  745    HG3  GLN 101           3HG      GLN 101  11.746  -0.718   1.088
  746   HE21  GLN 101          2HE2      GLN 101  13.198  -1.641  -0.680
  747   HE22  GLN 101          1HE2      GLN 101  14.336  -0.556  -1.434
  748    H    HIS 102           H        HIS 102   9.275   1.410  -3.927
  749    HA   HIS 102           HA       HIS 102   6.844   0.157  -4.424
  750    HD1  HIS 102           HD1      HIS 102   9.704   3.342  -6.056
  751    HD2  HIS 102           HD2      HIS 102   5.737   2.418  -4.975
  752    HE1  HIS 102           HE1      HIS 102   8.674   5.475  -5.129
  753    HB2  HIS 102           2HB      HIS 102   9.000   0.827  -6.466
  754    HB3  HIS 102           3HB      HIS 102   7.274   0.643  -6.787
  755    H    ALA 103           H        ALA 103  10.028  -1.300  -4.560
  756    HA   ALA 103           HA       ALA 103   9.639  -3.629  -6.035
  757    HB1  ALA 103           3HB      ALA 103  11.782  -2.931  -5.009
  758    HB2  ALA 103           1HB      ALA 103  11.117  -3.206  -3.383
  759    HB3  ALA 103           2HB      ALA 103  11.355  -4.573  -4.494
  760    H    ILE 104           H        ILE 104   8.554  -2.926  -2.650
  761    HA   ILE 104           HA       ILE 104   7.696  -5.633  -2.101
  762    HB   ILE 104           HB       ILE 104   6.889  -2.961  -0.880
  763   HG12  ILE 104          2HG1      ILE 104   8.969  -4.976   0.084
  764   HG13  ILE 104          3HG1      ILE 104   9.324  -3.433  -0.696
  765   HG21  ILE 104          1HG2      ILE 104   6.527  -5.775   0.252
  766   HG22  ILE 104          2HG2      ILE 104   6.072  -4.257   1.059
  767   HG23  ILE 104          3HG2      ILE 104   5.224  -4.752  -0.393
  768   HD11  ILE 104          3HD1      ILE 104   8.121  -2.254   1.165
  769   HD12  ILE 104          1HD1      ILE 104   8.064  -3.813   2.030
  770   HD13  ILE 104          2HD1      ILE 104   9.624  -3.084   1.619
  771    H    SER 105           H        SER 105   6.068  -2.591  -3.164
  772    HA   SER 105           HA       SER 105   3.480  -3.528  -3.337
  773    HG   SER 105           HG       SER 105   4.447  -0.026  -3.473
  774    HB2  SER 105           2HB      SER 105   4.642  -1.517  -5.280
  775    HB3  SER 105           3HB      SER 105   3.044  -1.529  -4.507
  776    H    THR 106           H        THR 106   6.037  -3.575  -5.970
  777    HA   THR 106           HA       THR 106   4.203  -4.648  -7.873
  778    HB   THR 106           HB       THR 106   6.369  -5.267  -9.087
  779    HG1  THR 106           1HG      THR 106   8.251  -4.543  -8.217
  780   HG21  THR 106          3HG2      THR 106   5.123  -3.238  -9.532
  781   HG22  THR 106          1HG2      THR 106   5.895  -2.397  -8.169
  782   HG23  THR 106          2HG2      THR 106   6.856  -2.898  -9.578
  783    H    GLU 107           H        GLU 107   6.697  -6.300  -5.800
  784    HA   GLU 107           HA       GLU 107   6.189  -8.873  -6.826
  785    HB2  GLU 107           2HB      GLU 107   7.129  -7.948  -4.083
  786    HB3  GLU 107           3HB      GLU 107   6.974  -9.655  -4.515
  787    HG2  GLU 107           2HG      GLU 107   8.496  -9.314  -6.453
  788    HG3  GLU 107           3HG      GLU 107   8.729  -7.636  -5.977
  789    H    LYS 108           H        LYS 108   4.497  -7.136  -4.157
  790    HA   LYS 108           HA       LYS 108   2.770  -9.390  -3.617
  791    HB2  LYS 108           2HB      LYS 108   2.553  -6.440  -2.866
  792    HB3  LYS 108           3HB      LYS 108   1.416  -7.705  -2.358
  793    HG2  LYS 108           2HG      LYS 108   3.287  -9.000  -1.363
  794    HG3  LYS 108           3HG      LYS 108   4.391  -7.664  -1.713
  795    HD2  LYS 108           2HD      LYS 108   3.104  -6.173  -0.226
  796    HD3  LYS 108           3HD      LYS 108   1.887  -7.444   0.013
  797    HE2  LYS 108           2HE      LYS 108   3.847  -8.930   0.817
  798    HE3  LYS 108           3HE      LYS 108   4.795  -7.441   0.924
  799    HZ1  LYS 108           3HZ      LYS 108   3.096  -6.616   2.519
  800    HZ2  LYS 108           1HZ      LYS 108   2.251  -7.998   2.364
  801    HZ3  LYS 108           2HZ      LYS 108   3.746  -8.032   3.028
  802    H    ILE 109           H        ILE 109   2.196  -6.345  -5.551
  803    HA   ILE 109           HA       ILE 109  -0.491  -7.090  -6.127
  804    HB   ILE 109           HB       ILE 109   1.371  -5.195  -7.610
  805   HG12  ILE 109          2HG1      ILE 109  -0.934  -4.503  -5.722
  806   HG13  ILE 109          3HG1      ILE 109   0.693  -4.711  -5.120
  807   HG21  ILE 109          1HG2      ILE 109  -1.689  -5.372  -7.770
  808   HG22  ILE 109          2HG2      ILE 109  -0.649  -4.229  -8.645
  809   HG23  ILE 109          3HG2      ILE 109  -0.609  -5.939  -9.041
  810   HD11  ILE 109          3HD1      ILE 109   1.488  -2.899  -6.661
  811   HD12  ILE 109          1HD1      ILE 109  -0.202  -2.614  -7.138
  812   HD13  ILE 109          2HD1      ILE 109   0.298  -2.363  -5.461
  813    H    LYS 110           H        LYS 110   2.589  -7.842  -7.883
  814    HA   LYS 110           HA       LYS 110   1.434  -9.115 -10.152
  815    HB2  LYS 110           2HB      LYS 110   3.979  -9.719  -8.584
  816    HB3  LYS 110           3HB      LYS 110   3.535 -10.564 -10.065
  817    HG2  LYS 110           2HG      LYS 110   3.738  -8.591 -11.406
  818    HG3  LYS 110           3HG      LYS 110   3.986  -7.558  -9.990
  819    HD2  LYS 110           2HD      LYS 110   6.054  -8.769  -9.418
  820    HD3  LYS 110           3HD      LYS 110   5.803  -9.880 -10.782
  821    HE2  LYS 110           2HE      LYS 110   5.963  -7.939 -12.350
  822    HE3  LYS 110           3HE      LYS 110   6.271  -6.874 -10.980
  823    HZ1  LYS 110           3HZ      LYS 110   8.304  -8.143 -10.540
  824    HZ2  LYS 110           1HZ      LYS 110   8.011  -9.128 -11.812
  825    HZ3  LYS 110           2HZ      LYS 110   8.318  -7.549 -12.058
  826    H    ALA 111           H        ALA 111   2.254 -10.477  -6.899
  827    HA   ALA 111           HA       ALA 111   1.364 -13.112  -7.528
  828    HB1  ALA 111           3HB      ALA 111   2.897 -12.595  -5.661
  829    HB2  ALA 111           1HB      ALA 111   1.595 -11.724  -4.818
  830    HB3  ALA 111           2HB      ALA 111   1.463 -13.472  -5.093
  831    H    LYS 112           H        LYS 112  -0.341 -10.288  -6.102
  832    HA   LYS 112           HA       LYS 112  -2.726 -11.755  -5.436
  833    HB2  LYS 112           2HB      LYS 112  -2.229  -8.782  -5.862
  834    HB3  LYS 112           3HB      LYS 112  -3.743  -9.439  -5.252
  835    HG2  LYS 112           2HG      LYS 112  -1.070  -9.903  -3.887
  836    HG3  LYS 112           3HG      LYS 112  -2.142  -8.552  -3.524
  837    HD2  LYS 112           2HD      LYS 112  -3.914 -10.156  -2.856
  838    HD3  LYS 112           3HD      LYS 112  -2.812 -11.510  -3.164
  839    HE2  LYS 112           2HE      LYS 112  -2.331  -9.231  -1.192
  840    HE3  LYS 112           3HE      LYS 112  -2.927 -10.830  -0.744
  841    HZ1  LYS 112           3HZ      LYS 112  -0.855 -11.785  -1.288
  842    HZ2  LYS 112           1HZ      LYS 112  -0.317 -10.456  -2.087
  843    HZ3  LYS 112           2HZ      LYS 112  -0.473 -10.405  -0.470
  844    H    TYR 113           H        TYR 113  -1.711 -10.019  -8.386
  845    HA   TYR 113           HA       TYR 113  -4.275 -10.788  -9.683
  846    HD1  TYR 113           HD1      TYR 113  -6.244  -9.863 -10.309
  847    HD2  TYR 113           HD2      TYR 113  -3.639  -6.618 -11.464
  848    HE1  TYR 113           HE1      TYR 113  -7.871  -9.180 -12.032
  849    HE2  TYR 113           HE2      TYR 113  -5.281  -5.909 -13.175
  850    HH   TYR 113           HH       TYR 113  -8.389  -7.641 -13.702
  851    HB2  TYR 113           2HB      TYR 113  -4.305  -8.475  -8.735
  852    HB3  TYR 113           3HB      TYR 113  -2.940  -8.060  -9.755
  853    HA   PRO 114           HA       PRO 114  -0.454 -11.806 -12.168
  854    HB2  PRO 114           2HB      PRO 114  -0.849 -14.480 -12.593
  855    HB3  PRO 114           3HB      PRO 114  -0.154 -13.827 -11.079
  856    HG2  PRO 114           2HG      PRO 114  -3.049 -14.573 -11.623
  857    HG3  PRO 114           3HG      PRO 114  -2.019 -15.080 -10.243
  858    HD2  PRO 114           2HD      PRO 114  -3.733 -12.979 -10.041
  859    HD3  PRO 114           3HD      PRO 114  -2.124 -12.943  -9.260
  860    H    ASP 115           H        ASP 115  -3.827 -11.767 -12.751
  861    HA   ASP 115           HA       ASP 115  -3.907 -12.529 -15.519
  862    HB2  ASP 115           2HB      ASP 115  -5.899 -12.289 -14.050
  863    HB3  ASP 115           3HB      ASP 115  -5.617 -10.546 -13.970
  864    H    TYR 116           H        TYR 116  -2.462  -9.866 -13.884
  865    HA   TYR 116           HA       TYR 116  -1.821  -8.510 -16.441
  866    HD1  TYR 116           HD1      TYR 116  -5.067  -8.006 -15.241
  867    HD2  TYR 116           HD2      TYR 116  -2.221  -5.069 -16.625
  868    HE1  TYR 116           HE1      TYR 116  -6.768  -7.093 -16.777
  869    HE2  TYR 116           HE2      TYR 116  -3.915  -4.148 -18.167
  870    HH   TYR 116           HH       TYR 116  -7.246  -5.491 -18.407
  871    HB2  TYR 116           2HB      TYR 116  -2.912  -7.309 -13.892
  872    HB3  TYR 116           3HB      TYR 116  -1.699  -6.416 -14.766
  873    H    GLU 117           H        GLU 117   0.136  -6.925 -15.734
  874    HA   GLU 117           HA       GLU 117   1.957  -8.289 -13.868
  875    HB2  GLU 117           2HB      GLU 117   2.564  -9.139 -16.066
  876    HB3  GLU 117           3HB      GLU 117   2.661  -7.507 -16.732
  877    HG2  GLU 117           2HG      GLU 117   4.573  -6.970 -15.410
  878    HG3  GLU 117           3HG      GLU 117   4.371  -8.396 -14.375
  879    H    VAL 118           H        VAL 118   3.695  -6.742 -13.218
  880    HA   VAL 118           HA       VAL 118   2.722  -3.958 -13.115
  881    HB   VAL 118           HB       VAL 118   3.700  -5.388 -10.645
  882   HG11  VAL 118          1HG1      VAL 118   1.582  -3.230 -10.820
  883   HG12  VAL 118          2HG1      VAL 118   2.569  -3.704  -9.436
  884   HG13  VAL 118          3HG1      VAL 118   3.309  -2.856 -10.809
  885   HG21  VAL 118          3HG2      VAL 118   0.768  -5.453 -11.467
  886   HG22  VAL 118          1HG2      VAL 118   1.840  -6.864 -11.313
  887   HG23  VAL 118          2HG2      VAL 118   1.455  -5.921  -9.892
  888    H    THR 119           H        THR 119   4.536  -2.495 -13.027
  889    HA   THR 119           HA       THR 119   7.213  -3.649 -12.429
  890    HB   THR 119           HB       THR 119   8.035  -2.083 -14.297
  891    HG1  THR 119           1HG      THR 119   6.369  -1.880 -15.975
  892   HG21  THR 119          3HG2      THR 119   8.029  -4.533 -14.534
  893   HG22  THR 119          1HG2      THR 119   6.346  -4.489 -15.089
  894   HG23  THR 119          2HG2      THR 119   7.631  -3.740 -16.066
  895    H    TRP 120           H        TRP 120   8.830  -1.814 -12.054
  896    HA   TRP 120           HA       TRP 120   7.660   0.685 -11.120
  897    HD1  TRP 120           HD1      TRP 120   9.167  -3.080  -9.709
  898    HE1  TRP 120           HE1      TRP 120  11.330  -3.912  -8.653
  899    HE3  TRP 120           HE3      TRP 120  11.024   1.411  -8.043
  900    HZ2  TRP 120           HZ2      TRP 120  13.570  -2.788  -7.195
  901    HZ3  TRP 120           HZ3      TRP 120  13.150   1.478  -6.793
  902    HH2  TRP 120           HH2      TRP 120  14.436  -0.604  -6.362
  903    HB2  TRP 120           2HB      TRP 120   8.833   0.723  -9.042
  904    HB3  TRP 120           3HB      TRP 120   7.749  -0.649  -9.053
  905    H    ALA 121           H        ALA 121   9.574   2.281 -10.847
  906    HA   ALA 121           HA       ALA 121  12.077   1.452 -12.160
  907    HB1  ALA 121           3HB      ALA 121  10.707   2.189 -14.072
  908    HB2  ALA 121           1HB      ALA 121  10.318   3.710 -13.237
  909    HB3  ALA 121           2HB      ALA 121  11.987   3.368 -13.740
  910    H    ASN 122           H        ASN 122  13.540   2.084 -10.685
  911    HA   ASN 122           HA       ASN 122  13.060   4.182  -8.792
  912    HB2  ASN 122           2HB      ASN 122  15.173   3.772  -7.934
  913    HB3  ASN 122           3HB      ASN 122  14.694   2.200  -8.546
  914   HD21  ASN 122          2HD2      ASN 122  16.486   5.185  -9.617
  915   HD22  ASN 122          1HD2      ASN 122  17.773   4.310 -10.424
  916    H    ASP 123           H        ASP 123  13.908   4.311 -12.109
  917    HA   ASP 123           HA       ASP 123  15.794   6.400 -12.234
  918    HB2  ASP 123           2HB      ASP 123  15.220   4.937 -14.121
  919    HB3  ASP 123           3HB      ASP 123  13.581   5.601 -14.157
  920    H    GLY 124           H        GLY 124  12.322   6.468 -11.731
  921    HA2  GLY 124           2HA      GLY 124  12.038   9.353 -12.130
  922    HA3  GLY 124           1HA      GLY 124  10.799   8.214 -11.573
  923    H    TYR 125           H        TYR 125  10.438  10.121 -10.098
  924    HA   TYR 125           HA       TYR 125  10.614  11.248  -8.117
  925    HD1  TYR 125           HD2      TYR 125   9.654   7.276  -8.750
  926    HD2  TYR 125           HD1      TYR 125  12.253   8.238  -5.449
  927    HE1  TYR 125           HE2      TYR 125  10.144   4.856  -8.429
  928    HE2  TYR 125           HE1      TYR 125  12.753   5.838  -5.131
  929    HH   TYR 125           HH       TYR 125  12.274   3.659  -5.814
  930    HB2  TYR 125           2HB      TYR 125  10.491   9.797  -6.188
  931    HB3  TYR 125           3HB      TYR 125   9.404   9.383  -7.492
  Start of MODEL   15
    1    HA   MET   1           HA       MET   1 -12.218  -2.034  20.682
    2    H1   MET   1           H1       MET   1 -13.083  -4.084  22.384
    3    H2   MET   1           H2       MET   1 -13.556  -2.516  22.337
    4    H3   MET   1           H3       MET   1 -12.264  -2.961  23.251
    5    HB2  MET   1           2HB      MET   1 -10.059  -3.528  22.248
    6    HB3  MET   1           3HB      MET   1  -9.793  -2.744  20.691
    7    HG2  MET   1           2HG      MET   1 -10.495  -0.567  21.649
    8    HG3  MET   1           3HG      MET   1 -10.663  -1.332  23.236
    9    HE1  MET   1           3HE      MET   1  -8.922   1.277  22.712
   10    HE2  MET   1           1HE      MET   1  -9.088   0.499  24.303
   11    HE3  MET   1           2HE      MET   1  -7.476   0.904  23.675
   12    H    ALA   2           H        ALA   2 -11.633  -2.955  18.643
   13    HA   ALA   2           HA       ALA   2 -12.533  -5.664  18.101
   14    HB1  ALA   2           3HB      ALA   2 -12.697  -3.855  16.419
   15    HB2  ALA   2           1HB      ALA   2 -10.926  -3.678  16.426
   16    HB3  ALA   2           2HB      ALA   2 -11.672  -5.174  15.828
   17    H    VAL   3           H        VAL   3 -10.986  -7.230  16.986
   18    HA   VAL   3           HA       VAL   3  -8.197  -7.069  17.886
   19    HB   VAL   3           HB       VAL   3  -9.595  -9.726  18.199
   20   HG11  VAL   3          1HG1      VAL   3  -7.219  -8.401  19.591
   21   HG12  VAL   3          2HG1      VAL   3  -7.799 -10.052  19.896
   22   HG13  VAL   3          3HG1      VAL   3  -7.137  -9.635  18.318
   23   HG21  VAL   3          3HG2      VAL   3  -9.628  -7.625  20.400
   24   HG22  VAL   3          1HG2      VAL   3 -11.031  -8.390  19.629
   25   HG23  VAL   3          2HG2      VAL   3  -9.947  -9.356  20.625
   26    H    ALA   4           H        ALA   4  -6.826  -8.474  16.544
   27    HA   ALA   4           HA       ALA   4  -7.863  -9.706  14.140
   28    HB1  ALA   4           3HB      ALA   4  -7.953  -7.271  13.537
   29    HB2  ALA   4           1HB      ALA   4  -6.235  -7.113  13.966
   30    HB3  ALA   4           2HB      ALA   4  -6.730  -8.131  12.596
   31    H    ASP   5           H        ASP   5  -5.584  -9.859  12.703
   32    HA   ASP   5           HA       ASP   5  -3.193 -10.197  14.325
   33    HB2  ASP   5           2HB      ASP   5  -4.136 -12.468  14.481
   34    HB3  ASP   5           3HB      ASP   5  -4.417 -12.502  12.739
   35    H    LEU   6           H        LEU   6  -1.344  -9.959  12.881
   36    HA   LEU   6           HA       LEU   6  -1.805  -8.125  10.835
   37    HG   LEU   6           HG       LEU   6   0.326  -8.586  13.276
   38    HB2  LEU   6           2HB      LEU   6   0.627  -9.915  11.246
   39    HB3  LEU   6           3HB      LEU   6   0.559  -8.471  10.251
   40   HD11  LEU   6          1HD1      LEU   6   2.409  -7.228  11.515
   41   HD12  LEU   6          2HD1      LEU   6   2.436  -7.413  13.272
   42   HD13  LEU   6          3HD1      LEU   6   2.612  -8.837  12.247
   43   HD21  LEU   6          3HD2      LEU   6   0.069  -6.204  11.401
   44   HD22  LEU   6          1HD2      LEU   6  -1.153  -6.799  12.548
   45   HD23  LEU   6          2HD2      LEU   6   0.332  -6.071  13.154
   46    H    ALA   7           H        ALA   7  -1.565 -11.691  10.555
   47    HA   ALA   7           HA       ALA   7  -1.183 -11.678   7.728
   48    HB1  ALA   7           3HB      ALA   7  -0.579 -13.590   9.182
   49    HB2  ALA   7           1HB      ALA   7  -2.304 -13.859   9.536
   50    HB3  ALA   7           2HB      ALA   7  -1.689 -14.077   7.887
   51    H    LEU   8           H        LEU   8  -4.021 -11.172   9.715
   52    HA   LEU   8           HA       LEU   8  -5.935 -12.116   7.690
   53    HG   LEU   8           HG       LEU   8  -5.509 -12.902  10.712
   54    HB2  LEU   8           2HB      LEU   8  -6.355 -10.580  10.288
   55    HB3  LEU   8           3HB      LEU   8  -7.629 -11.246   9.280
   56   HD11  LEU   8          1HD1      LEU   8  -8.461 -12.486  11.346
   57   HD12  LEU   8          2HD1      LEU   8  -7.346 -13.576  12.202
   58   HD13  LEU   8          3HD1      LEU   8  -7.093 -11.827  12.267
   59   HD21  LEU   8          3HD2      LEU   8  -7.974 -13.765   9.136
   60   HD22  LEU   8          1HD2      LEU   8  -6.276 -14.074   8.704
   61   HD23  LEU   8          2HD2      LEU   8  -6.967 -14.835  10.137
   62    H    ILE   9           H        ILE   9  -4.205  -9.168   8.371
   63    HA   ILE   9           HA       ILE   9  -6.163  -7.313   7.404
   64    HB   ILE   9           HB       ILE   9  -3.138  -7.020   7.401
   65   HG12  ILE   9          2HG1      ILE   9  -5.119  -6.266   9.612
   66   HG13  ILE   9          3HG1      ILE   9  -4.008  -7.631   9.685
   67   HG21  ILE   9          1HG2      ILE   9  -5.357  -4.927   7.440
   68   HG22  ILE   9          2HG2      ILE   9  -3.612  -4.590   7.473
   69   HG23  ILE   9          3HG2      ILE   9  -4.326  -5.324   6.050
   70   HD11  ILE   9          3HD1      ILE   9  -2.078  -6.047   9.485
   71   HD12  ILE   9          1HD1      ILE   9  -3.235  -4.706   9.678
   72   HD13  ILE   9          2HD1      ILE   9  -3.042  -5.897  10.968
   73    HA   PRO  10           HA       PRO  10  -5.854  -8.360   2.979
   74    HB2  PRO  10           2HB      PRO  10  -6.391  -5.386   2.794
   75    HB3  PRO  10           3HB      PRO  10  -7.090  -6.711   1.809
   76    HG2  PRO  10           2HG      PRO  10  -8.518  -5.635   3.839
   77    HG3  PRO  10           3HG      PRO  10  -8.470  -7.419   3.643
   78    HD2  PRO  10           2HD      PRO  10  -6.891  -5.694   5.562
   79    HD3  PRO  10           3HD      PRO  10  -7.706  -7.262   5.851
   80    H    ASP  11           H        ASP  11  -3.980  -8.476   1.784
   81    HA   ASP  11           HA       ASP  11  -1.669  -6.971   2.672
   82    HB2  ASP  11           2HB      ASP  11  -1.714  -9.398   1.954
   83    HB3  ASP  11           3HB      ASP  11  -1.924  -8.841   0.287
   84    H    VAL  12           H        VAL  12  -3.731  -6.958  -0.220
   85    HA   VAL  12           HA       VAL  12  -2.655  -4.317  -1.016
   86    HB   VAL  12           HB       VAL  12  -3.223  -6.627  -2.931
   87   HG11  VAL  12          1HG1      VAL  12  -2.116  -3.829  -3.467
   88   HG12  VAL  12          2HG1      VAL  12  -2.340  -5.120  -4.668
   89   HG13  VAL  12          3HG1      VAL  12  -3.746  -4.395  -3.890
   90   HG21  VAL  12          3HG2      VAL  12  -0.543  -5.407  -2.151
   91   HG22  VAL  12          1HG2      VAL  12  -1.085  -7.068  -1.827
   92   HG23  VAL  12          2HG2      VAL  12  -0.812  -6.550  -3.485
   93    H    ASP  13           H        ASP  13  -4.379  -2.929  -1.310
   94    HA   ASP  13           HA       ASP  13  -6.871  -3.890  -2.390
   95    HB2  ASP  13           2HB      ASP  13  -7.297  -4.233   0.060
   96    HB3  ASP  13           3HB      ASP  13  -6.935  -2.527   0.338
   97    H    ILE  14           H        ILE  14  -7.423  -2.319  -3.826
   98    HA   ILE  14           HA       ILE  14  -6.461   0.420  -3.545
   99    HB   ILE  14           HB       ILE  14  -5.327   0.261  -5.802
  100   HG12  ILE  14          2HG1      ILE  14  -5.460  -2.759  -5.365
  101   HG13  ILE  14          3HG1      ILE  14  -6.385  -1.857  -6.565
  102   HG21  ILE  14          1HG2      ILE  14  -3.947  -1.494  -3.739
  103   HG22  ILE  14          2HG2      ILE  14  -3.200  -0.463  -4.975
  104   HG23  ILE  14          3HG2      ILE  14  -4.068   0.273  -3.631
  105   HD11  ILE  14          3HD1      ILE  14  -4.252  -1.160  -7.657
  106   HD12  ILE  14          1HD1      ILE  14  -3.359  -2.182  -6.501
  107   HD13  ILE  14          2HD1      ILE  14  -4.502  -2.915  -7.633
  108    H    ASP  15           H        ASP  15  -7.201   1.733  -5.526
  109    HA   ASP  15           HA       ASP  15  -9.392   0.485  -7.078
  110    HB2  ASP  15           2HB      ASP  15 -10.595   1.511  -5.222
  111    HB3  ASP  15           3HB      ASP  15  -9.762   3.050  -5.497
  112    H    SER  16           H        SER  16  -8.586   0.683  -9.058
  113    HA   SER  16           HA       SER  16  -6.820   2.765  -9.919
  114    HG   SER  16           HG       SER  16  -7.000  -0.381 -10.306
  115    HB2  SER  16           2HB      SER  16  -8.460   0.764 -11.537
  116    HB3  SER  16           3HB      SER  16  -7.136   1.760 -12.156
  117    H    ASP  17           H        ASP  17  -7.219   4.141 -11.778
  118    HA   ASP  17           HA       ASP  17  -9.936   4.818 -12.576
  119    HB2  ASP  17           2HB      ASP  17  -9.766   6.330 -10.668
  120    HB3  ASP  17           3HB      ASP  17  -8.177   6.889 -11.199
  121    H    GLY  18           H        GLY  18  -6.466   5.668 -12.621
  122    HA2  GLY  18           2HA      GLY  18  -6.036   4.829 -15.283
  123    HA3  GLY  18           1HA      GLY  18  -6.156   6.608 -15.261
  124    H    VAL  19           H        VAL  19  -5.034   7.516 -13.106
  125    HA   VAL  19           HA       VAL  19  -2.661   6.019 -12.268
  126    HB   VAL  19           HB       VAL  19  -2.619   8.980 -12.990
  127   HG11  VAL  19          1HG1      VAL  19  -0.399   7.048 -12.172
  128   HG12  VAL  19          2HG1      VAL  19  -0.160   8.735 -12.661
  129   HG13  VAL  19          3HG1      VAL  19  -1.062   8.365 -11.183
  130   HG21  VAL  19          3HG2      VAL  19  -1.439   6.652 -14.552
  131   HG22  VAL  19          1HG2      VAL  19  -2.692   7.782 -15.106
  132   HG23  VAL  19          2HG2      VAL  19  -1.050   8.361 -14.835
  133    H    PHE  20           H        PHE  20  -2.456   6.217  -9.989
  134    HA   PHE  20           HA       PHE  20  -3.960   8.287  -8.540
  135    HD1  PHE  20           HD2      PHE  20  -4.721   4.650 -10.363
  136    HD2  PHE  20           HD1      PHE  20  -4.409   4.743  -6.067
  137    HE1  PHE  20           HE2      PHE  20  -4.246   2.215 -10.342
  138    HE2  PHE  20           HE1      PHE  20  -3.963   2.304  -6.049
  139    HZ   PHE  20           HZ       PHE  20  -3.883   1.038  -8.188
  140    HB2  PHE  20           2HB      PHE  20  -5.228   6.678  -7.227
  141    HB3  PHE  20           3HB      PHE  20  -5.689   6.586  -8.915
  142    H    LYS  21           H        LYS  21  -3.292   8.434  -6.318
  143    HA   LYS  21           HA       LYS  21  -0.531   7.591  -5.917
  144    HB2  LYS  21           2HB      LYS  21  -2.525   9.245  -4.344
  145    HB3  LYS  21           3HB      LYS  21  -0.930   8.850  -3.714
  146    HG2  LYS  21           2HG      LYS  21   0.170   9.934  -5.614
  147    HG3  LYS  21           3HG      LYS  21  -1.389  10.235  -6.398
  148    HD2  LYS  21           2HD      LYS  21  -2.073  11.694  -4.554
  149    HD3  LYS  21           3HD      LYS  21  -0.528  11.422  -3.727
  150    HE2  LYS  21           2HE      LYS  21   0.683  12.374  -5.694
  151    HE3  LYS  21           3HE      LYS  21  -0.863  12.623  -6.518
  152    HZ1  LYS  21           3HZ      LYS  21  -1.487  14.147  -4.725
  153    HZ2  LYS  21           1HZ      LYS  21   0.002  13.974  -4.032
  154    HZ3  LYS  21           2HZ      LYS  21  -0.140  14.655  -5.507
  155    H    TYR  22           H        TYR  22   0.239   6.370  -4.129
  156    HA   TYR  22           HA       TYR  22  -1.673   4.841  -2.533
  157    HD1  TYR  22           HD1      TYR  22   1.610   4.282  -5.275
  158    HD2  TYR  22           HD2      TYR  22   0.369   1.602  -2.136
  159    HE1  TYR  22           HE1      TYR  22   3.969   3.772  -4.783
  160    HE2  TYR  22           HE2      TYR  22   2.731   1.086  -1.625
  161    HH   TYR  22           HH       TYR  22   5.393   2.823  -3.253
  162    HB2  TYR  22           2HB      TYR  22  -1.216   2.767  -3.382
  163    HB3  TYR  22           3HB      TYR  22  -0.859   3.641  -4.855
  164    H    VAL  23           H        VAL  23  -0.443   3.709  -0.727
  165    HA   VAL  23           HA       VAL  23   2.252   4.808  -0.223
  166    HB   VAL  23           HB       VAL  23   1.689   5.089   2.188
  167   HG11  VAL  23          1HG1      VAL  23   0.188   6.940   0.302
  168   HG12  VAL  23          2HG1      VAL  23   0.687   7.317   1.965
  169   HG13  VAL  23          3HG1      VAL  23   1.910   7.031   0.720
  170   HG21  VAL  23          3HG2      VAL  23  -1.205   4.897   1.254
  171   HG22  VAL  23          1HG2      VAL  23  -0.375   3.782   2.338
  172   HG23  VAL  23          2HG2      VAL  23  -0.668   5.461   2.844
  173    H    LEU  24           H        LEU  24   3.506   3.555   1.190
  174    HA   LEU  24           HA       LEU  24   2.758   0.663   1.247
  175    HG   LEU  24           HG       LEU  24   6.419  -0.123   0.593
  176    HB2  LEU  24           2HB      LEU  24   4.775   1.538  -0.148
  177    HB3  LEU  24           3HB      LEU  24   5.532   1.931   1.376
  178   HD11  LEU  24          1HD1      LEU  24   4.448  -1.036   2.721
  179   HD12  LEU  24          2HD1      LEU  24   6.063  -1.671   2.364
  180   HD13  LEU  24          3HD1      LEU  24   5.890  -0.053   3.064
  181   HD21  LEU  24          3HD2      LEU  24   3.627  -1.316   0.443
  182   HD22  LEU  24          1HD2      LEU  24   4.537  -0.671  -0.942
  183   HD23  LEU  24          2HD2      LEU  24   5.166  -2.056  -0.062
  184    H    ILE  25           H        ILE  25   2.162   0.141   3.359
  185    HA   ILE  25           HA       ILE  25   3.214   1.885   5.555
  186    HB   ILE  25           HB       ILE  25   0.426   0.852   5.016
  187   HG12  ILE  25          2HG1      ILE  25   1.533   3.600   5.765
  188   HG13  ILE  25          3HG1      ILE  25   1.167   3.082   4.120
  189   HG21  ILE  25          1HG2      ILE  25   1.476   1.913   7.676
  190   HG22  ILE  25          2HG2      ILE  25  -0.232   1.583   7.297
  191   HG23  ILE  25          3HG2      ILE  25   0.906   0.258   7.366
  192   HD11  ILE  25          3HD1      ILE  25  -1.231   2.807   4.767
  193   HD12  ILE  25          1HD1      ILE  25  -0.841   3.487   6.374
  194   HD13  ILE  25          2HD1      ILE  25  -0.630   4.466   4.930
  195    H    ARG  26           H        ARG  26   4.258   0.935   7.091
  196    HA   ARG  26           HA       ARG  26   4.425  -2.014   7.246
  197    HE   ARG  26           HE       ARG  26   7.672  -0.074  10.535
  198    HB2  ARG  26           2HB      ARG  26   6.475  -0.589   7.410
  199    HB3  ARG  26           3HB      ARG  26   5.824   0.184   8.856
  200    HG2  ARG  26           2HG      ARG  26   5.948  -1.883  10.112
  201    HG3  ARG  26           3HG      ARG  26   6.202  -2.832   8.645
  202    HD2  ARG  26           2HD      ARG  26   8.288  -2.652   9.847
  203    HD3  ARG  26           3HD      ARG  26   8.391  -1.812   8.294
  204   HH11  ARG  26          1HH2      ARG  26  10.421  -1.593   8.869
  205   HH12  ARG  26          2HH2      ARG  26  11.561  -0.397   9.355
  206   HH21  ARG  26          1HH1      ARG  26   9.188   1.564  11.147
  207   HH22  ARG  26          2HH1      ARG  26  10.852   1.410  10.691
  208    H    VAL  27           H        VAL  27   3.751  -3.058   9.138
  209    HA   VAL  27           HA       VAL  27   1.886  -1.664  10.962
  210    HB   VAL  27           HB       VAL  27   1.450  -4.453   9.827
  211   HG11  VAL  27          1HG1      VAL  27  -0.508  -2.435  10.987
  212   HG12  VAL  27          2HG1      VAL  27  -0.864  -4.101  10.523
  213   HG13  VAL  27          3HG1      VAL  27   0.213  -3.780  11.888
  214   HG21  VAL  27          3HG2      VAL  27   0.270  -1.937   8.592
  215   HG22  VAL  27          1HG2      VAL  27   1.374  -3.090   7.803
  216   HG23  VAL  27          2HG2      VAL  27  -0.248  -3.605   8.249
  217    H    HIS  28           H        HIS  28   2.026  -2.596  13.089
  218    HA   HIS  28           HA       HIS  28   3.981  -4.818  13.527
  219    HD1  HIS  28           HD1      HIS  28   6.785  -3.831  13.614
  220    HD2  HIS  28           HD2      HIS  28   4.394  -0.365  13.660
  221    HE1  HIS  28           HE1      HIS  28   8.085  -2.046  12.353
  222    HB2  HIS  28           2HB      HIS  28   3.598  -2.335  15.248
  223    HB3  HIS  28           3HB      HIS  28   4.730  -3.659  15.533
  224    H    SER  29           H        SER  29   3.304  -6.250  15.230
  225    HA   SER  29           HA       SER  29   0.550  -6.584  15.646
  226    HG   SER  29           HG       SER  29   1.523  -9.110  15.380
  227    HB2  SER  29           2HB      SER  29   2.859  -7.586  17.323
  228    HB3  SER  29           3HB      SER  29   1.211  -8.233  17.345
  229    H    ALA  30           H        ALA  30  -0.538  -4.867  16.463
  230    HA   ALA  30           HA       ALA  30  -0.398  -4.620  19.377
  231    HB1  ALA  30           3HB      ALA  30   0.892  -2.689  18.506
  232    HB2  ALA  30           1HB      ALA  30  -0.514  -2.188  17.543
  233    HB3  ALA  30           2HB      ALA  30  -0.593  -2.172  19.315
  234    HA   PRO  31           HA       PRO  31  -4.852  -4.486  17.313
  235    HB2  PRO  31           2HB      PRO  31  -4.788  -7.437  17.964
  236    HB3  PRO  31           3HB      PRO  31  -5.805  -6.561  16.775
  237    HG2  PRO  31           2HG      PRO  31  -3.568  -7.917  15.992
  238    HG3  PRO  31           3HG      PRO  31  -4.009  -6.344  15.265
  239    HD2  PRO  31           2HD      PRO  31  -1.914  -6.956  17.329
  240    HD3  PRO  31           3HD      PRO  31  -1.917  -5.773  15.983
  241    H    ARG  32           H        ARG  32  -6.695  -4.565  18.761
  242    HA   ARG  32           HA       ARG  32  -7.567  -3.889  20.685
  243    HE   ARG  32           HE       ARG  32  -8.387  -7.311  24.128
  244    HB2  ARG  32           2HB      ARG  32  -7.866  -5.480  22.413
  245    HB3  ARG  32           3HB      ARG  32  -7.910  -6.301  20.865
  246    HG2  ARG  32           2HG      ARG  32  -5.707  -7.260  21.209
  247    HG3  ARG  32           3HG      ARG  32  -5.452  -6.296  22.670
  248    HD2  ARG  32           2HD      ARG  32  -7.563  -8.456  22.311
  249    HD3  ARG  32           3HD      ARG  32  -6.011  -8.682  23.112
  250   HH11  ARG  32          1HH2      ARG  32  -4.882  -7.859  24.696
  251   HH12  ARG  32          2HH2      ARG  32  -4.986  -7.424  26.358
  252   HH21  ARG  32          1HH1      ARG  32  -8.448  -6.699  26.323
  253   HH22  ARG  32          2HH1      ARG  32  -7.026  -6.737  27.291
  254    H    SER  33           H        SER  33  -4.638  -3.050  20.266
  255    HA   SER  33           HA       SER  33  -2.943  -2.075  21.292
  256    HG   SER  33           HG       SER  33  -5.126   0.634  21.959
  257    HB2  SER  33           2HB      SER  33  -4.995  -1.198  23.358
  258    HB3  SER  33           3HB      SER  33  -3.422  -0.447  23.033
  259    H    GLY  34           H        GLY  34  -3.420  -4.900  21.889
  260    HA2  GLY  34           2HA      GLY  34  -1.623  -5.361  24.074
  261    HA3  GLY  34           1HA      GLY  34  -3.301  -5.512  24.620
  262    H    ALA  35           H        ALA  35  -2.114  -6.399  21.345
  263    HA   ALA  35           HA       ALA  35  -2.998  -9.150  21.630
  264    HB1  ALA  35           3HB      ALA  35  -3.021  -8.011  19.448
  265    HB2  ALA  35           1HB      ALA  35  -1.254  -7.782  19.526
  266    HB3  ALA  35           2HB      ALA  35  -1.943  -9.415  19.396
  267    HA   PRO  36           HA       PRO  36   0.814 -10.532  23.494
  268    HB2  PRO  36           2HB      PRO  36   0.825 -13.218  22.966
  269    HB3  PRO  36           3HB      PRO  36  -0.364 -12.449  24.061
  270    HG2  PRO  36           2HG      PRO  36  -0.722 -13.161  21.131
  271    HG3  PRO  36           3HG      PRO  36  -1.822 -13.523  22.500
  272    HD2  PRO  36           2HD      PRO  36  -2.203 -11.368  20.865
  273    HD3  PRO  36           3HD      PRO  36  -2.567 -11.290  22.614
  274    H    ALA  37           H        ALA  37   0.353 -11.007  20.044
  275    HA   ALA  37           HA       ALA  37   3.014 -11.917  19.407
  276    HB1  ALA  37           3HB      ALA  37   1.118 -12.269  17.885
  277    HB2  ALA  37           1HB      ALA  37   0.899 -10.514  17.709
  278    HB3  ALA  37           2HB      ALA  37   2.365 -11.297  17.088
  279    H    ALA  38           H        ALA  38   4.607 -10.643  18.203
  280    HA   ALA  38           HA       ALA  38   4.588  -7.714  18.481
  281    HB1  ALA  38           3HB      ALA  38   5.588  -8.528  20.599
  282    HB2  ALA  38           1HB      ALA  38   6.799  -9.441  19.665
  283    HB3  ALA  38           2HB      ALA  38   6.757  -7.662  19.585
  284    H    GLU  39           H        GLU  39   4.167  -9.248  16.208
  285    HA   GLU  39           HA       GLU  39   6.727  -9.507  14.760
  286    HB2  GLU  39           2HB      GLU  39   3.863 -10.137  13.909
  287    HB3  GLU  39           3HB      GLU  39   5.323 -10.524  13.006
  288    HG2  GLU  39           2HG      GLU  39   4.439 -11.726  15.658
  289    HG3  GLU  39           3HG      GLU  39   4.469 -12.512  14.089
  290    H    SER  40           H        SER  40   6.279  -8.712  12.311
  291    HA   SER  40           HA       SER  40   4.812  -6.191  12.191
  292    HG   SER  40           HG       SER  40   8.373  -5.511  13.030
  293    HB2  SER  40           2HB      SER  40   7.665  -6.337  11.222
  294    HB3  SER  40           3HB      SER  40   6.631  -4.913  11.283
  295    H    LYS  41           H        LYS  41   4.510  -5.514   9.930
  296    HA   LYS  41           HA       LYS  41   4.694  -7.553   7.818
  297    HB2  LYS  41           2HB      LYS  41   2.888  -8.310   9.323
  298    HB3  LYS  41           3HB      LYS  41   2.117  -6.735   9.258
  299    HG2  LYS  41           2HG      LYS  41   2.461  -8.121   6.632
  300    HG3  LYS  41           3HG      LYS  41   1.430  -8.946   7.805
  301    HD2  LYS  41           2HD      LYS  41   0.103  -6.849   8.130
  302    HD3  LYS  41           3HD      LYS  41   1.038  -6.082   6.847
  303    HE2  LYS  41           2HE      LYS  41  -0.788  -8.520   6.627
  304    HE3  LYS  41           3HE      LYS  41  -1.112  -6.897   6.017
  305    HZ1  LYS  41           3HZ      LYS  41   0.810  -7.192   4.491
  306    HZ2  LYS  41           1HZ      LYS  41   1.009  -8.729   5.028
  307    HZ3  LYS  41           2HZ      LYS  41  -0.325  -8.307   4.210
  308    H    GLU  42           H        GLU  42   3.587  -6.508   5.752
  309    HA   GLU  42           HA       GLU  42   3.372  -3.556   5.987
  310    HB2  GLU  42           2HB      GLU  42   4.871  -4.994   3.758
  311    HB3  GLU  42           3HB      GLU  42   4.514  -3.281   3.847
  312    HG2  GLU  42           2HG      GLU  42   6.750  -3.413   4.450
  313    HG3  GLU  42           3HG      GLU  42   5.901  -3.158   5.965
  314    H    ILE  43           H        ILE  43   2.031  -2.604   4.333
  315    HA   ILE  43           HA       ILE  43   0.336  -4.421   2.731
  316    HB   ILE  43           HB       ILE  43  -1.673  -3.143   3.445
  317   HG12  ILE  43          2HG1      ILE  43   0.030  -2.045   5.718
  318   HG13  ILE  43          3HG1      ILE  43  -0.562  -1.116   4.340
  319   HG21  ILE  43          1HG2      ILE  43  -0.370  -4.550   5.790
  320   HG22  ILE  43          2HG2      ILE  43  -2.102  -4.425   5.421
  321   HG23  ILE  43          3HG2      ILE  43  -1.062  -5.376   4.367
  322   HD11  ILE  43          3HD1      ILE  43  -2.910  -1.570   5.047
  323   HD12  ILE  43          1HD1      ILE  43  -2.297  -2.408   6.492
  324   HD13  ILE  43          2HD1      ILE  43  -1.969  -0.689   6.263
  325    H    VAL  44           H        VAL  44  -0.777  -3.359   1.030
  326    HA   VAL  44           HA       VAL  44   0.394  -0.754   0.125
  327    HB   VAL  44           HB       VAL  44  -0.686  -3.132  -1.462
  328   HG11  VAL  44          1HG1      VAL  44   0.782  -0.682  -2.501
  329   HG12  VAL  44          2HG1      VAL  44   0.171  -2.041  -3.457
  330   HG13  VAL  44          3HG1      VAL  44  -0.971  -0.957  -2.659
  331   HG21  VAL  44          3HG2      VAL  44   2.200  -2.236  -1.128
  332   HG22  VAL  44          1HG2      VAL  44   1.475  -3.713  -0.454
  333   HG23  VAL  44          2HG2      VAL  44   1.624  -3.525  -2.203
  334    H    ARG  45           H        ARG  45  -1.112   0.874   0.200
  335    HA   ARG  45           HA       ARG  45  -3.995   0.275  -0.339
  336    HE   ARG  45           HE       ARG  45  -4.342  -1.489   0.765
  337    HB2  ARG  45           2HB      ARG  45  -2.836   2.251   1.691
  338    HB3  ARG  45           3HB      ARG  45  -4.527   2.184   1.230
  339    HG2  ARG  45           2HG      ARG  45  -3.006   0.031   2.770
  340    HG3  ARG  45           3HG      ARG  45  -4.131   1.209   3.412
  341    HD2  ARG  45           2HD      ARG  45  -5.565  -0.516   3.308
  342    HD3  ARG  45           3HD      ARG  45  -5.833   0.162   1.700
  343   HH11  ARG  45          1HH2      ARG  45  -5.534  -2.343   4.041
  344   HH12  ARG  45          2HH2      ARG  45  -4.750  -3.896   4.002
  345   HH21  ARG  45          1HH1      ARG  45  -3.257  -3.405   0.867
  346   HH22  ARG  45          2HH1      ARG  45  -3.523  -4.530   2.190
  347    H    GLY  46           H        GLY  46  -4.895   1.785  -1.841
  348    HA2  GLY  46           2HA      GLY  46  -3.928   4.425  -2.124
  349    HA3  GLY  46           1HA      GLY  46  -3.196   3.436  -3.397
  350    H    TYR  47           H        TYR  47  -5.345   5.624  -3.367
  351    HA   TYR  47           HA       TYR  47  -7.307   4.257  -5.091
  352    HD1  TYR  47           HD1      TYR  47  -6.808   4.798  -0.925
  353    HD2  TYR  47           HD2      TYR  47  -9.429   2.412  -3.367
  354    HE1  TYR  47           HE1      TYR  47  -6.726   2.989   0.766
  355    HE2  TYR  47           HE2      TYR  47  -9.334   0.581  -1.709
  356    HH   TYR  47           HH       TYR  47  -7.647   0.951   1.431
  357    HB2  TYR  47           2HB      TYR  47  -8.226   5.808  -2.649
  358    HB3  TYR  47           3HB      TYR  47  -9.201   4.841  -3.737
  359    H    LYS  48           H        LYS  48  -8.445   5.825  -6.378
  360    HA   LYS  48           HA       LYS  48  -7.059   8.223  -6.874
  361    HB2  LYS  48           2HB      LYS  48  -8.541   6.981  -8.474
  362    HB3  LYS  48           3HB      LYS  48  -9.951   7.558  -7.585
  363    HG2  LYS  48           2HG      LYS  48  -9.583   8.854  -9.619
  364    HG3  LYS  48           3HG      LYS  48  -9.424   9.883  -8.199
  365    HD2  LYS  48           2HD      LYS  48  -6.960   9.851  -8.405
  366    HD3  LYS  48           3HD      LYS  48  -7.067   8.643  -9.692
  367    HE2  LYS  48           2HE      LYS  48  -6.630  10.767 -10.703
  368    HE3  LYS  48           3HE      LYS  48  -8.274  10.281 -11.122
  369    HZ1  LYS  48           3HZ      LYS  48  -9.068  11.810  -9.386
  370    HZ2  LYS  48           1HZ      LYS  48  -7.527  12.263  -9.028
  371    HZ3  LYS  48           2HZ      LYS  48  -8.169  12.601 -10.490
  372    H    TRP  49           H        TRP  49  -9.709   7.654  -4.545
  373    HA   TRP  49           HA       TRP  49 -10.346  10.406  -4.201
  374    HD1  TRP  49           HD1      TRP  49 -12.286   6.482  -3.331
  375    HE1  TRP  49           HE1      TRP  49 -11.686   4.556  -1.777
  376    HE3  TRP  49           HE3      TRP  49  -8.961   8.906  -0.266
  377    HZ2  TRP  49           HZ2      TRP  49  -9.960   4.101   0.518
  378    HZ3  TRP  49           HZ3      TRP  49  -7.758   7.668   1.484
  379    HH2  TRP  49           HH2      TRP  49  -8.207   5.239   1.865
  380    HB2  TRP  49           2HB      TRP  49 -11.260   9.705  -1.980
  381    HB3  TRP  49           3HB      TRP  49 -11.935   8.959  -3.403
  382    H    ALA  50           H        ALA  50  -7.583   8.542  -2.975
  383    HA   ALA  50           HA       ALA  50  -6.840  10.715  -1.137
  384    HB1  ALA  50           3HB      ALA  50  -6.382   8.506  -0.361
  385    HB2  ALA  50           1HB      ALA  50  -5.449   8.112  -1.836
  386    HB3  ALA  50           2HB      ALA  50  -4.869   9.352  -0.690
  387    H    GLU  51           H        GLU  51  -6.973  12.239  -3.013
  388    HA   GLU  51           HA       GLU  51  -4.996  12.132  -5.075
  389    HB2  GLU  51           2HB      GLU  51  -7.234  13.393  -4.994
  390    HB3  GLU  51           3HB      GLU  51  -6.434  14.599  -3.994
  391    HG2  GLU  51           2HG      GLU  51  -6.569  15.305  -6.328
  392    HG3  GLU  51           3HG      GLU  51  -4.892  15.131  -5.857
  393    H    TYR  52           H        TYR  52  -4.461  12.488  -1.805
  394    HA   TYR  52           HA       TYR  52  -1.786  13.564  -2.231
  395    HD1  TYR  52           HD2      TYR  52  -4.802  15.722  -2.171
  396    HD2  TYR  52           HD1      TYR  52  -3.760  14.519   1.822
  397    HE1  TYR  52           HE2      TYR  52  -7.093  16.342  -1.401
  398    HE2  TYR  52           HE1      TYR  52  -6.021  15.142   2.621
  399    HH   TYR  52           HH       TYR  52  -8.117  15.976   2.032
  400    HB2  TYR  52           2HB      TYR  52  -2.068  14.697   0.109
  401    HB3  TYR  52           3HB      TYR  52  -2.434  15.537  -1.380
  402    H    HIS  53           H        HIS  53  -0.288  12.635  -0.520
  403    HA   HIS  53           HA       HIS  53  -1.109   9.832  -0.221
  404    HD2  HIS  53           HD2      HIS  53   1.000   8.093  -1.568
  405    HE1  HIS  53           HE1      HIS  53   2.589  10.980  -4.261
  406    HE2  HIS  53           HE2      HIS  53   1.942   8.523  -3.964
  407    HB2  HIS  53           2HB      HIS  53   1.474  11.302   0.479
  408    HB3  HIS  53           3HB      HIS  53   1.213   9.581   0.648
  409    H    ALA  54           H        ALA  54  -0.503  12.711   1.781
  410    HA   ALA  54           HA       ALA  54  -0.750  11.558   4.325
  411    HB1  ALA  54           3HB      ALA  54  -0.235  13.944   3.939
  412    HB2  ALA  54           1HB      ALA  54  -1.905  14.219   3.387
  413    HB3  ALA  54           2HB      ALA  54  -1.591  13.752   5.069
  414    H    ASP  55           H        ASP  55  -3.350  11.871   1.891
  415    HA   ASP  55           HA       ASP  55  -5.499  11.807   3.804
  416    HB2  ASP  55           2HB      ASP  55  -5.643  12.494   1.306
  417    HB3  ASP  55           3HB      ASP  55  -5.659  10.792   0.949
  418    H    ILE  56           H        ILE  56  -3.944   9.265   1.768
  419    HA   ILE  56           HA       ILE  56  -5.479   7.140   2.973
  420    HB   ILE  56           HB       ILE  56  -3.278   5.821   2.098
  421   HG12  ILE  56          2HG1      ILE  56  -3.249   8.332   0.431
  422   HG13  ILE  56          3HG1      ILE  56  -1.937   7.428   1.179
  423   HG21  ILE  56          1HG2      ILE  56  -5.665   6.535   0.409
  424   HG22  ILE  56          2HG2      ILE  56  -4.626   5.096   0.262
  425   HG23  ILE  56          3HG2      ILE  56  -5.600   5.316   1.703
  426   HD11  ILE  56          3HD1      ILE  56  -2.363   5.602  -0.517
  427   HD12  ILE  56          1HD1      ILE  56  -3.575   6.650  -1.280
  428   HD13  ILE  56          2HD1      ILE  56  -1.879   7.158  -1.228
  429    H    TYR  57           H        TYR  57  -2.241   8.616   3.681
  430    HA   TYR  57           HA       TYR  57  -1.598   6.602   5.556
  431    HD1  TYR  57           HD1      TYR  57   0.232   5.993   6.588
  432    HD2  TYR  57           HD2      TYR  57   0.585  10.221   7.378
  433    HE1  TYR  57           HE1      TYR  57   1.480   5.487   8.632
  434    HE2  TYR  57           HE2      TYR  57   1.903   9.728   9.412
  435    HH   TYR  57           HH       TYR  57   2.507   6.379  10.557
  436    HB2  TYR  57           2HB      TYR  57   0.059   8.209   4.714
  437    HB3  TYR  57           3HB      TYR  57  -0.756   9.517   5.572
  438    H    ASP  58           H        ASP  58  -3.384   9.722   6.089
  439    HA   ASP  58           HA       ASP  58  -3.745   9.322   8.874
  440    HB2  ASP  58           2HB      ASP  58  -4.114  11.484   7.822
  441    HB3  ASP  58           3HB      ASP  58  -5.449  10.833   6.862
  442    H    LYS  59           H        LYS  59  -5.919   8.486   6.110
  443    HA   LYS  59           HA       LYS  59  -8.046   7.393   7.655
  444    HB2  LYS  59           2HB      LYS  59  -8.308   8.030   5.366
  445    HB3  LYS  59           3HB      LYS  59  -7.072   6.904   4.809
  446    HG2  LYS  59           2HG      LYS  59  -8.448   5.082   4.856
  447    HG3  LYS  59           3HG      LYS  59  -9.375   5.660   6.263
  448    HD2  LYS  59           2HD      LYS  59 -10.592   7.260   4.917
  449    HD3  LYS  59           3HD      LYS  59  -9.576   6.936   3.516
  450    HE2  LYS  59           2HE      LYS  59 -11.643   5.813   3.136
  451    HE3  LYS  59           3HE      LYS  59 -10.422   4.580   3.450
  452    HZ1  LYS  59           3HZ      LYS  59 -11.305   4.389   5.712
  453    HZ2  LYS  59           1HZ      LYS  59 -12.414   5.560   5.422
  454    HZ3  LYS  59           2HZ      LYS  59 -12.492   4.144   4.627
  455    H    VAL  60           H        VAL  60  -5.195   5.739   6.180
  456    HA   VAL  60           HA       VAL  60  -6.154   3.175   7.070
  457    HB   VAL  60           HB       VAL  60  -3.482   4.044   5.909
  458   HG11  VAL  60          1HG1      VAL  60  -4.639   1.244   6.374
  459   HG12  VAL  60          2HG1      VAL  60  -3.168   1.604   5.434
  460   HG13  VAL  60          3HG1      VAL  60  -3.214   1.930   7.164
  461   HG21  VAL  60          3HG2      VAL  60  -5.769   2.561   4.546
  462   HG22  VAL  60          1HG2      VAL  60  -5.607   4.315   4.463
  463   HG23  VAL  60          2HG2      VAL  60  -4.326   3.325   3.810
  464    H    SER  61           H        SER  61  -3.550   5.449   8.348
  465    HA   SER  61           HA       SER  61  -2.854   3.719  10.492
  466    HG   SER  61           HG       SER  61  -0.835   6.398   9.564
  467    HB2  SER  61           2HB      SER  61  -2.831   6.749  10.266
  468    HB3  SER  61           3HB      SER  61  -2.142   5.844  11.630
  469    H    GLY  62           H        GLY  62  -5.586   6.045  10.125
  470    HA2  GLY  62           2HA      GLY  62  -6.660   5.839  12.724
  471    HA3  GLY  62           1HA      GLY  62  -7.571   6.126  11.227
  472    H    ASP  63           H        ASP  63  -7.457   3.827   9.783
  473    HA   ASP  63           HA       ASP  63  -9.212   2.083  11.163
  474    HB2  ASP  63           2HB      ASP  63  -9.125   2.256   8.710
  475    HB3  ASP  63           3HB      ASP  63  -7.545   1.468   8.708
  476    H    MET  64           H        MET  64  -5.719   1.700  10.440
  477    HA   MET  64           HA       MET  64  -5.366  -0.842  11.617
  478    HB2  MET  64           2HB      MET  64  -3.455   1.523  11.403
  479    HB3  MET  64           3HB      MET  64  -2.969  -0.095  11.864
  480    HG2  MET  64           2HG      MET  64  -4.351   0.494   9.215
  481    HG3  MET  64           3HG      MET  64  -2.623   0.496   9.414
  482    HE1  MET  64           3HE      MET  64  -5.906  -1.554   9.640
  483    HE2  MET  64           1HE      MET  64  -5.308  -1.316   7.971
  484    HE3  MET  64           2HE      MET  64  -5.389  -2.952   8.668
  485    H    GLN  65           H        GLN  65  -4.964   2.426  13.160
  486    HA   GLN  65           HA       GLN  65  -4.415   1.311  15.715
  487    HB2  GLN  65           2HB      GLN  65  -5.327   4.031  14.706
  488    HB3  GLN  65           3HB      GLN  65  -5.046   3.747  16.412
  489    HG2  GLN  65           2HG      GLN  65  -2.831   3.069  14.422
  490    HG3  GLN  65           3HG      GLN  65  -3.131   4.738  14.868
  491   HE21  GLN  65          2HE2      GLN  65  -2.141   1.565  16.163
  492   HE22  GLN  65          1HE2      GLN  65  -1.512   2.183  17.680
  493    H    LYS  66           H        LYS  66  -7.521   2.042  14.094
  494    HA   LYS  66           HA       LYS  66  -9.104   1.677  16.489
  495    HB2  LYS  66           2HB      LYS  66  -9.719   1.585  13.522
  496    HB3  LYS  66           3HB      LYS  66 -10.925   1.122  14.728
  497    HG2  LYS  66           2HG      LYS  66 -10.743   3.284  15.843
  498    HG3  LYS  66           3HG      LYS  66  -9.490   3.819  14.732
  499    HD2  LYS  66           2HD      LYS  66 -12.340   3.097  13.922
  500    HD3  LYS  66           3HD      LYS  66 -11.772   4.734  14.273
  501    HE2  LYS  66           2HE      LYS  66 -10.121   4.572  12.407
  502    HE3  LYS  66           3HE      LYS  66 -10.717   2.951  12.035
  503    HZ1  LYS  66           3HZ      LYS  66 -12.887   3.926  11.552
  504    HZ2  LYS  66           1HZ      LYS  66 -12.340   5.425  11.901
  505    HZ3  LYS  66           2HZ      LYS  66 -11.743   4.617  10.620
  506    H    GLN  67           H        GLN  67  -7.830  -0.657  13.990
  507    HA   GLN  67           HA       GLN  67  -8.981  -2.932  15.385
  508    HB2  GLN  67           2HB      GLN  67  -6.525  -2.798  13.576
  509    HB3  GLN  67           3HB      GLN  67  -7.330  -4.261  14.144
  510    HG2  GLN  67           2HG      GLN  67  -9.421  -3.548  12.959
  511    HG3  GLN  67           3HG      GLN  67  -8.579  -2.129  12.347
  512   HE21  GLN  67          2HE2      GLN  67  -8.163  -2.449  10.122
  513   HE22  GLN  67          1HE2      GLN  67  -7.580  -3.972   9.488
  514    H    GLY  68           H        GLY  68  -6.098  -0.975  15.751
  515    HA2  GLY  68           2HA      GLY  68  -5.387  -0.691  18.146
  516    HA3  GLY  68           1HA      GLY  68  -5.179  -2.444  18.171
  517    H    CYS  69           H        CYS  69  -4.354  -2.200  15.215
  518    HA   CYS  69           HA       CYS  69  -1.639  -2.754  15.508
  519    HG   CYS  69           HG       CYS  69  -3.307  -4.276  12.252
  520    HB2  CYS  69           2HB      CYS  69  -3.315  -1.833  13.142
  521    HB3  CYS  69           3HB      CYS  69  -1.648  -2.371  12.986
  522    H    ASP  70           H        ASP  70   0.239  -1.630  15.142
  523    HA   ASP  70           HA       ASP  70   0.085   1.356  15.203
  524    HB2  ASP  70           2HB      ASP  70   1.137   0.402  17.174
  525    HB3  ASP  70           3HB      ASP  70   2.166  -0.633  16.182
  526    H    CYS  71           H        CYS  71   1.218   2.467  13.556
  527    HA   CYS  71           HA       CYS  71   2.390   0.799  11.401
  528    HG   CYS  71           HG       CYS  71  -1.036   0.643   9.717
  529    HB2  CYS  71           2HB      CYS  71  -0.041   2.647  11.293
  530    HB3  CYS  71           3HB      CYS  71   0.856   2.211   9.854
  531    H    GLU  72           H        GLU  72   3.457   1.953   9.707
  532    HA   GLU  72           HA       GLU  72   3.964   4.847  10.009
  533    HB2  GLU  72           2HB      GLU  72   6.177   2.746   9.793
  534    HB3  GLU  72           3HB      GLU  72   6.391   4.490   9.625
  535    HG2  GLU  72           2HG      GLU  72   5.621   4.787  11.983
  536    HG3  GLU  72           3HG      GLU  72   5.529   3.024  12.149
  537    H    CYS  73           H        CYS  73   4.013   5.761   7.876
  538    HA   CYS  73           HA       CYS  73   3.805   3.932   5.585
  539    HG   CYS  73           HG       CYS  73   3.260   8.404   5.351
  540    HB2  CYS  73           2HB      CYS  73   3.912   6.112   4.272
  541    HB3  CYS  73           3HB      CYS  73   2.495   5.895   5.290
  542    H    LEU  74           H        LEU  74   5.595   3.024   4.719
  543    HA   LEU  74           HA       LEU  74   8.279   3.929   5.477
  544    HG   LEU  74           HG       LEU  74   6.758   0.984   5.544
  545    HB2  LEU  74           2HB      LEU  74   7.385   1.891   3.394
  546    HB3  LEU  74           3HB      LEU  74   9.034   2.184   3.929
  547   HD11  LEU  74          1HD1      LEU  74   9.515  -0.093   4.809
  548   HD12  LEU  74          2HD1      LEU  74   8.236  -0.963   5.683
  549   HD13  LEU  74          3HD1      LEU  74   8.002  -0.517   3.989
  550   HD21  LEU  74          3HD2      LEU  74   9.503   1.861   6.547
  551   HD22  LEU  74          1HD2      LEU  74   7.911   2.402   7.138
  552   HD23  LEU  74          2HD2      LEU  74   8.433   0.747   7.417
  553    H    GLY  75           H        GLY  75   5.939   4.578   2.958
  554    HA2  GLY  75           2HA      GLY  75   6.883   7.030   2.274
  555    HA3  GLY  75           1HA      GLY  75   7.695   5.955   1.121
  556    H    GLY  76           H        GLY  76   6.303   7.178  -0.462
  557    HA2  GLY  76           2HA      GLY  76   4.042   5.436  -1.075
  558    HA3  GLY  76           1HA      GLY  76   3.637   7.159  -0.919
  559    H    GLY  77           H        GLY  77   3.051   6.434  -3.220
  560    HA2  GLY  77           2HA      GLY  77   4.769   7.730  -5.104
  561    HA3  GLY  77           1HA      GLY  77   4.841   5.965  -5.294
  562    H    ARG  78           H        ARG  78   3.684   6.365  -7.420
  563    HA   ARG  78           HA       ARG  78   0.794   6.215  -6.881
  564    HE   ARG  78           HE       ARG  78   3.339   9.520 -11.311
  565    HB2  ARG  78           2HB      ARG  78   0.154   7.696  -8.648
  566    HB3  ARG  78           3HB      ARG  78   1.214   8.569  -7.546
  567    HG2  ARG  78           2HG      ARG  78   3.112   8.153  -9.193
  568    HG3  ARG  78           3HG      ARG  78   1.889   7.434 -10.272
  569    HD2  ARG  78           2HD      ARG  78   0.606   9.583 -10.177
  570    HD3  ARG  78           3HD      ARG  78   1.903  10.293  -9.206
  571   HH11  ARG  78          1HH1      ARG  78   0.219  11.241 -11.312
  572   HH12  ARG  78          2HH1      ARG  78   0.517  12.016 -12.822
  573   HH21  ARG  78          1HH2      ARG  78   3.733  10.530 -13.212
  574   HH22  ARG  78          2HH2      ARG  78   2.577  11.594 -13.963
  575    H    ILE  79           H        ILE  79  -0.350   5.144  -8.510
  576    HA   ILE  79           HA       ILE  79   1.291   3.078  -9.865
  577    HB   ILE  79           HB       ILE  79  -1.463   2.864  -8.574
  578   HG12  ILE  79          2HG1      ILE  79   1.196   1.657  -7.703
  579   HG13  ILE  79          3HG1      ILE  79   0.336   2.959  -6.895
  580   HG21  ILE  79          1HG2      ILE  79   0.201   0.677  -9.917
  581   HG22  ILE  79          2HG2      ILE  79  -1.384   0.460  -9.143
  582   HG23  ILE  79          3HG2      ILE  79  -1.258   1.419 -10.599
  583   HD11  ILE  79          3HD1      ILE  79  -1.557   1.412  -6.413
  584   HD12  ILE  79          1HD1      ILE  79  -0.595   0.075  -7.093
  585   HD13  ILE  79          2HD1      ILE  79  -0.022   0.934  -5.663
  586    H    SER  80           H        SER  80   0.672   2.704 -12.000
  587    HA   SER  80           HA       SER  80  -1.570   4.331 -13.102
  588    HG   SER  80           HG       SER  80   1.537   5.677 -14.442
  589    HB2  SER  80           2HB      SER  80   0.868   3.498 -14.684
  590    HB3  SER  80           3HB      SER  80  -0.418   4.652 -15.115
  591    H    HIS  81           H        HIS  81  -3.042   3.188 -14.214
  592    HA   HIS  81           HA       HIS  81  -3.173   0.352 -13.819
  593    HD1  HIS  81           HD1      HIS  81  -5.827  -0.324 -12.734
  594    HD2  HIS  81           HD2      HIS  81  -6.148   0.059 -16.924
  595    HE1  HIS  81           HE1      HIS  81  -7.249  -2.273 -13.527
  596    HB2  HIS  81           2HB      HIS  81  -5.074   2.085 -13.931
  597    HB3  HIS  81           3HB      HIS  81  -4.886   2.041 -15.684
  598    H    GLN  82           H        GLN  82  -3.718  -1.129 -15.742
  599    HA   GLN  82           HA       GLN  82  -1.525  -1.314 -17.560
  600    HB2  GLN  82           2HB      GLN  82  -3.331  -3.109 -16.695
  601    HB3  GLN  82           3HB      GLN  82  -4.240  -2.550 -18.092
  602    HG2  GLN  82           2HG      GLN  82  -1.885  -3.027 -19.337
  603    HG3  GLN  82           3HG      GLN  82  -1.640  -4.058 -17.941
  604   HE21  GLN  82          2HE2      GLN  82  -3.025  -3.835 -21.059
  605   HE22  GLN  82          1HE2      GLN  82  -4.003  -5.290 -21.003
  606    H    SER  83           H        SER  83  -1.598  -1.098 -19.897
  607    HA   SER  83           HA       SER  83  -3.851   0.452 -21.073
  608    HG   SER  83           HG       SER  83  -1.251   2.910 -20.761
  609    HB2  SER  83           2HB      SER  83  -0.895   0.826 -21.698
  610    HB3  SER  83           3HB      SER  83  -2.252   1.708 -22.419
  611    H    GLN  84           H        GLN  84  -3.428   0.212 -23.664
  612    HA   GLN  84           HA       GLN  84  -3.796  -2.558 -24.248
  613    HB2  GLN  84           2HB      GLN  84  -3.276  -0.173 -26.078
  614    HB3  GLN  84           3HB      GLN  84  -3.790  -1.773 -26.624
  615    HG2  GLN  84           2HG      GLN  84  -5.860  -1.583 -25.253
  616    HG3  GLN  84           3HG      GLN  84  -5.392   0.049 -24.775
  617   HE21  GLN  84          2HE2      GLN  84  -6.815  -1.894 -27.322
  618   HE22  GLN  84          1HE2      GLN  84  -7.110  -0.586 -28.439
  619    H    ASP  85           H        ASP  85  -0.901  -0.931 -23.654
  620    HA   ASP  85           HA       ASP  85   0.689  -3.158 -24.772
  621    HB2  ASP  85           2HB      ASP  85   0.909  -1.542 -26.537
  622    HB3  ASP  85           3HB      ASP  85   1.153  -0.222 -25.394
  623    H    LYS  86           H        LYS  86   0.942  -0.004 -22.981
  624    HA   LYS  86           HA       LYS  86   3.197  -0.845 -21.502
  625    HB2  LYS  86           2HB      LYS  86   1.172   1.309 -20.746
  626    HB3  LYS  86           3HB      LYS  86   2.790   1.139 -20.082
  627    HG2  LYS  86           2HG      LYS  86   2.121   1.774 -22.988
  628    HG3  LYS  86           3HG      LYS  86   2.673   2.925 -21.774
  629    HD2  LYS  86           2HD      LYS  86   4.825   1.767 -21.567
  630    HD3  LYS  86           3HD      LYS  86   4.327   0.534 -22.727
  631    HE2  LYS  86           2HE      LYS  86   4.614   3.500 -23.361
  632    HE3  LYS  86           3HE      LYS  86   5.819   2.253 -23.695
  633    HZ1  LYS  86           3HZ      LYS  86   4.074   1.122 -25.063
  634    HZ2  LYS  86           1HZ      LYS  86   3.148   2.471 -24.925
  635    HZ3  LYS  86           2HZ      LYS  86   4.598   2.562 -25.663
  636    H    LYS  87           H        LYS  87   3.543  -1.648 -19.518
  637    HA   LYS  87           HA       LYS  87   1.532  -3.370 -18.348
  638    HB2  LYS  87           2HB      LYS  87   4.445  -2.700 -17.852
  639    HB3  LYS  87           3HB      LYS  87   3.533  -3.264 -16.471
  640    HG2  LYS  87           2HG      LYS  87   4.473  -5.184 -17.353
  641    HG3  LYS  87           3HG      LYS  87   2.758  -5.225 -17.755
  642    HD2  LYS  87           2HD      LYS  87   3.299  -4.487 -20.100
  643    HD3  LYS  87           3HD      LYS  87   4.993  -4.324 -19.644
  644    HE2  LYS  87           2HE      LYS  87   4.823  -6.361 -20.841
  645    HE3  LYS  87           3HE      LYS  87   5.075  -6.780 -19.146
  646    HZ1  LYS  87           3HZ      LYS  87   2.687  -7.228 -18.978
  647    HZ2  LYS  87           1HZ      LYS  87   2.465  -6.835 -20.557
  648    HZ3  LYS  87           2HZ      LYS  87   3.362  -8.140 -20.157
  649    H    ILE  88           H        ILE  88   1.121  -3.351 -16.025
  650    HA   ILE  88           HA       ILE  88   0.037  -0.841 -15.011
  651    HB   ILE  88           HB       ILE  88   0.677  -3.510 -13.664
  652   HG12  ILE  88          2HG1      ILE  88  -2.024  -2.624 -14.752
  653   HG13  ILE  88          3HG1      ILE  88  -0.960  -3.767 -15.573
  654   HG21  ILE  88          1HG2      ILE  88  -1.291  -1.355 -12.788
  655   HG22  ILE  88          2HG2      ILE  88  -0.824  -2.825 -11.892
  656   HG23  ILE  88          3HG2      ILE  88   0.342  -1.532 -12.129
  657   HD11  ILE  88          3HD1      ILE  88  -1.105  -5.304 -13.625
  658   HD12  ILE  88          1HD1      ILE  88  -2.306  -4.211 -12.890
  659   HD13  ILE  88          2HD1      ILE  88  -2.656  -5.004 -14.432
  660    H    HIS  89           H        HIS  89   1.269   0.575 -13.589
  661    HA   HIS  89           HA       HIS  89   4.118  -0.223 -13.175
  662    HD1  HIS  89           HD1      HIS  89   6.162  -0.051 -14.971
  663    HD2  HIS  89           HD2      HIS  89   5.514   3.832 -13.465
  664    HE1  HIS  89           HE1      HIS  89   8.466   1.016 -14.700
  665    HB2  HIS  89           2HB      HIS  89   3.639   1.165 -15.309
  666    HB3  HIS  89           3HB      HIS  89   3.333   2.510 -14.206
  667    H    VAL  90           H        VAL  90   5.226   0.979 -11.538
  668    HA   VAL  90           HA       VAL  90   3.572   2.596  -9.676
  669    HB   VAL  90           HB       VAL  90   5.511   0.382  -8.874
  670   HG11  VAL  90          1HG1      VAL  90   3.473   1.959  -7.225
  671   HG12  VAL  90          2HG1      VAL  90   4.580   0.706  -6.617
  672   HG13  VAL  90          3HG1      VAL  90   5.220   2.233  -7.241
  673   HG21  VAL  90          3HG2      VAL  90   2.467   0.247  -8.936
  674   HG22  VAL  90          1HG2      VAL  90   3.608  -0.781  -9.819
  675   HG23  VAL  90          2HG2      VAL  90   3.511  -0.896  -8.061
  676    H    TYR  91           H        TYR  91   4.749   4.457  -9.080
  677    HA   TYR  91           HA       TYR  91   7.607   4.578  -8.992
  678    HD1  TYR  91           HD2      TYR  91   4.433   6.071 -10.536
  679    HD2  TYR  91           HD1      TYR  91   7.658   6.285 -13.399
  680    HE1  TYR  91           HE2      TYR  91   2.929   7.129 -12.136
  681    HE2  TYR  91           HE1      TYR  91   6.143   7.392 -15.015
  682    HH   TYR  91           HH       TYR  91   3.970   8.150 -15.425
  683    HB2  TYR  91           2HB      TYR  91   8.064   5.976 -10.890
  684    HB3  TYR  91           3HB      TYR  91   7.448   4.461 -11.433
  685    H    GLY  92           H        GLY  92   7.939   7.371  -9.479
  686    HA2  GLY  92           2HA      GLY  92   7.512   9.432  -8.549
  687    HA3  GLY  92           1HA      GLY  92   5.850   8.908  -8.238
  688    H    TYR  93           H        TYR  93   6.139  10.227  -6.298
  689    HA   TYR  93           HA       TYR  93   7.010   8.747  -3.972
  690    HD1  TYR  93           HD2      TYR  93   7.992  12.935  -3.917
  691    HD2  TYR  93           HD1      TYR  93   9.921  10.208  -6.650
  692    HE1  TYR  93           HE2      TYR  93   8.669  14.844  -5.335
  693    HE2  TYR  93           HE1      TYR  93  10.616  12.109  -8.068
  694    HH   TYR  93           HH       TYR  93  10.573  14.423  -8.359
  695    HB2  TYR  93           2HB      TYR  93   8.660  10.538  -3.270
  696    HB3  TYR  93           3HB      TYR  93   9.193   9.447  -4.520
  697    H    SER  94           H        SER  94   6.507   9.872  -1.995
  698    HA   SER  94           HA       SER  94   4.409  11.961  -2.180
  699    HG   SER  94           HG       SER  94   3.897  12.419   0.445
  700    HB2  SER  94           2HB      SER  94   3.924  10.282  -0.551
  701    HB3  SER  94           3HB      SER  94   5.604  10.177  -0.038
  702    H    MET  95           H        MET  95   4.850  14.005  -0.821
  703    HA   MET  95           HA       MET  95   7.771  14.689  -0.926
  704    HB2  MET  95           2HB      MET  95   7.208  16.988  -0.819
  705    HB3  MET  95           3HB      MET  95   6.423  16.246  -2.212
  706    HG2  MET  95           2HG      MET  95   4.298  16.176  -1.029
  707    HG3  MET  95           3HG      MET  95   5.021  16.817   0.435
  708    HE1  MET  95           3HE      MET  95   5.670  19.297   0.855
  709    HE2  MET  95           1HE      MET  95   6.887  19.228  -0.442
  710    HE3  MET  95           2HE      MET  95   5.716  20.559  -0.394
  711    H    ALA  96           H        ALA  96   4.863  14.404   1.197
  712    HA   ALA  96           HA       ALA  96   6.344  15.380   3.514
  713    HB1  ALA  96           3HB      ALA  96   3.931  15.578   3.455
  714    HB2  ALA  96           1HB      ALA  96   3.751  13.819   3.269
  715    HB3  ALA  96           2HB      ALA  96   4.393  14.496   4.782
  716    H    TYR  97           H        TYR  97   5.945  12.228   1.966
  717    HA   TYR  97           HA       TYR  97   7.436  10.923   4.196
  718    HD1  TYR  97           HD2      TYR  97   5.679  10.432   6.145
  719    HD2  TYR  97           HD1      TYR  97   3.281  11.045   2.609
  720    HE1  TYR  97           HE2      TYR  97   3.927  11.524   7.516
  721    HE2  TYR  97           HE1      TYR  97   1.509  12.038   3.960
  722    HH   TYR  97           HH       TYR  97   0.887  12.814   6.095
  723    HB2  TYR  97           2HB      TYR  97   5.267   9.694   2.474
  724    HB3  TYR  97           3HB      TYR  97   5.987   9.035   3.932
  725    H    GLY  98           H        GLY  98   7.721  11.652   0.868
  726    HA2  GLY  98           2HA      GLY  98   9.495  11.149  -0.499
  727    HA3  GLY  98           1HA      GLY  98  10.137  10.093   0.755
  728    HA   PRO  99           HA       PRO  99   8.560   7.393  -2.757
  729    HB2  PRO  99           2HB      PRO  99  10.961   6.183  -3.363
  730    HB3  PRO  99           3HB      PRO  99  10.381   7.660  -4.164
  731    HG2  PRO  99           2HG      PRO  99  12.353   7.405  -1.889
  732    HG3  PRO  99           3HG      PRO  99  12.441   8.475  -3.322
  733    HD2  PRO  99           2HD      PRO  99  11.603   9.336  -0.855
  734    HD3  PRO  99           3HD      PRO  99  10.949  10.018  -2.373
  735    H    ALA 100           H        ALA 100   7.896   5.351  -2.213
  736    HA   ALA 100           HA       ALA 100   8.825   4.051   0.267
  737    HB1  ALA 100           3HB      ALA 100   6.432   3.909  -0.484
  738    HB2  ALA 100           1HB      ALA 100   6.993   3.155  -1.989
  739    HB3  ALA 100           2HB      ALA 100   7.192   2.308  -0.445
  740    H    GLN 101           H        GLN 101   9.378   1.627   0.025
  741    HA   GLN 101           HA       GLN 101  11.432   1.176  -2.050
  742    HB2  GLN 101           2HB      GLN 101  10.341  -0.560   0.214
  743    HB3  GLN 101           3HB      GLN 101  11.498  -1.135  -0.987
  744    HG2  GLN 101           2HG      GLN 101  11.940   1.114   1.000
  745    HG3  GLN 101           3HG      GLN 101  12.629  -0.516   1.053
  746   HE21  GLN 101          2HE2      GLN 101  13.426   2.633   0.253
  747   HE22  GLN 101          1HE2      GLN 101  14.684   2.315  -0.911
  748    H    HIS 102           H        HIS 102   9.979   1.521  -3.828
  749    HA   HIS 102           HA       HIS 102   7.567   0.243  -4.219
  750    HD1  HIS 102           HD1      HIS 102   9.504   3.940  -5.633
  751    HD2  HIS 102           HD2      HIS 102   5.962   1.778  -4.917
  752    HE1  HIS 102           HE1      HIS 102   7.836   5.584  -4.656
  753    HB2  HIS 102           2HB      HIS 102   9.609   1.289  -6.202
  754    HB3  HIS 102           3HB      HIS 102   8.013   0.699  -6.690
  755    H    ALA 103           H        ALA 103  10.494  -1.355  -4.120
  756    HA   ALA 103           HA       ALA 103  10.077  -3.613  -5.845
  757    HB1  ALA 103           3HB      ALA 103  12.264  -3.080  -4.826
  758    HB2  ALA 103           1HB      ALA 103  11.584  -3.262  -3.191
  759    HB3  ALA 103           2HB      ALA 103  11.714  -4.671  -4.269
  760    H    ILE 104           H        ILE 104   9.123  -2.812  -2.451
  761    HA   ILE 104           HA       ILE 104   7.975  -5.390  -1.881
  762    HB   ILE 104           HB       ILE 104   7.403  -2.665  -0.629
  763   HG12  ILE 104          2HG1      ILE 104   9.443  -4.761   0.253
  764   HG13  ILE 104          3HG1      ILE 104   9.837  -3.237  -0.542
  765   HG21  ILE 104          1HG2      ILE 104   7.016  -5.477   0.504
  766   HG22  ILE 104          2HG2      ILE 104   6.608  -3.949   1.319
  767   HG23  ILE 104          3HG2      ILE 104   5.716  -4.436  -0.113
  768   HD11  ILE 104          3HD1      ILE 104   8.753  -1.999   1.351
  769   HD12  ILE 104          1HD1      ILE 104   8.636  -3.549   2.223
  770   HD13  ILE 104          2HD1      ILE 104  10.221  -2.906   1.769
  771    H    SER 105           H        SER 105   6.662  -2.193  -2.993
  772    HA   SER 105           HA       SER 105   3.990  -2.859  -2.998
  773    HG   SER 105           HG       SER 105   5.136   0.475  -3.100
  774    HB2  SER 105           2HB      SER 105   5.145  -1.032  -5.103
  775    HB3  SER 105           3HB      SER 105   3.697  -0.827  -4.098
  776    H    THR 106           H        THR 106   6.348  -3.145  -5.799
  777    HA   THR 106           HA       THR 106   4.315  -4.177  -7.520
  778    HB   THR 106           HB       THR 106   6.284  -4.916  -8.916
  779    HG1  THR 106           1HG      THR 106   8.305  -4.387  -8.242
  780   HG21  THR 106          3HG2      THR 106   5.154  -2.688  -9.115
  781   HG22  THR 106          1HG2      THR 106   6.354  -2.007  -7.998
  782   HG23  THR 106          2HG2      THR 106   6.853  -2.664  -9.575
  783    H    GLU 107           H        GLU 107   6.839  -5.884  -5.504
  784    HA   GLU 107           HA       GLU 107   6.141  -8.449  -6.431
  785    HB2  GLU 107           2HB      GLU 107   7.309  -7.497  -3.792
  786    HB3  GLU 107           3HB      GLU 107   6.984  -9.204  -4.115
  787    HG2  GLU 107           2HG      GLU 107   8.395  -9.124  -6.146
  788    HG3  GLU 107           3HG      GLU 107   8.775  -7.435  -5.835
  789    H    LYS 108           H        LYS 108   4.650  -6.560  -3.740
  790    HA   LYS 108           HA       LYS 108   2.855  -8.677  -2.982
  791    HB2  LYS 108           2HB      LYS 108   2.788  -5.658  -2.583
  792    HB3  LYS 108           3HB      LYS 108   1.522  -6.742  -1.984
  793    HG2  LYS 108           2HG      LYS 108   3.183  -8.043  -0.716
  794    HG3  LYS 108           3HG      LYS 108   4.466  -6.939  -1.226
  795    HD2  LYS 108           2HD      LYS 108   3.353  -5.058  -0.123
  796    HD3  LYS 108           3HD      LYS 108   1.973  -6.076   0.321
  797    HE2  LYS 108           2HE      LYS 108   4.845  -6.456   1.288
  798    HE3  LYS 108           3HE      LYS 108   3.536  -5.688   2.203
  799    HZ1  LYS 108           3HZ      LYS 108   2.313  -7.771   2.107
  800    HZ2  LYS 108           1HZ      LYS 108   3.535  -8.508   1.315
  801    HZ3  LYS 108           2HZ      LYS 108   3.769  -7.986   2.850
  802    H    ILE 109           H        ILE 109   2.436  -5.910  -5.326
  803    HA   ILE 109           HA       ILE 109  -0.322  -6.603  -5.782
  804    HB   ILE 109           HB       ILE 109   1.616  -5.043  -7.534
  805   HG12  ILE 109          2HG1      ILE 109  -0.602  -3.873  -5.788
  806   HG13  ILE 109          3HG1      ILE 109   0.991  -4.136  -5.125
  807   HG21  ILE 109          1HG2      ILE 109  -1.450  -5.114  -7.601
  808   HG22  ILE 109          2HG2      ILE 109  -0.399  -4.155  -8.662
  809   HG23  ILE 109          3HG2      ILE 109  -0.408  -5.912  -8.783
  810   HD11  ILE 109          3HD1      ILE 109   1.983  -2.694  -6.909
  811   HD12  ILE 109          1HD1      ILE 109   0.343  -2.346  -7.502
  812   HD13  ILE 109          2HD1      ILE 109   0.823  -1.845  -5.873
  813    H    LYS 110           H        LYS 110   2.765  -7.516  -7.427
  814    HA   LYS 110           HA       LYS 110   1.565  -9.022  -9.521
  815    HB2  LYS 110           2HB      LYS 110   4.297  -9.231  -8.174
  816    HB3  LYS 110           3HB      LYS 110   3.857 -10.131  -9.633
  817    HG2  LYS 110           2HG      LYS 110   3.553  -8.126 -10.921
  818    HG3  LYS 110           3HG      LYS 110   3.574  -7.118  -9.491
  819    HD2  LYS 110           2HD      LYS 110   5.627  -6.704 -10.419
  820    HD3  LYS 110           3HD      LYS 110   6.024  -7.840  -9.136
  821    HE2  LYS 110           2HE      LYS 110   6.548  -9.561 -10.631
  822    HE3  LYS 110           3HE      LYS 110   5.382  -9.003 -11.826
  823    HZ1  LYS 110           3HZ      LYS 110   6.918  -7.099 -12.257
  824    HZ2  LYS 110           1HZ      LYS 110   8.060  -7.860 -11.345
  825    HZ3  LYS 110           2HZ      LYS 110   7.482  -8.568 -12.720
  826    H    ALA 111           H        ALA 111   2.571 -10.023  -6.196
  827    HA   ALA 111           HA       ALA 111   2.067 -12.776  -6.561
  828    HB1  ALA 111           3HB      ALA 111   3.256 -11.882  -4.613
  829    HB2  ALA 111           1HB      ALA 111   1.781 -11.065  -4.050
  830    HB3  ALA 111           2HB      ALA 111   1.858 -12.841  -4.092
  831    H    LYS 112           H        LYS 112  -0.205 -10.108  -5.718
  832    HA   LYS 112           HA       LYS 112  -2.411 -12.055  -5.406
  833    HB2  LYS 112           2HB      LYS 112  -2.085  -9.084  -4.877
  834    HB3  LYS 112           3HB      LYS 112  -3.685  -9.807  -5.011
  835    HG2  LYS 112           2HG      LYS 112  -3.160  -9.771  -2.704
  836    HG3  LYS 112           3HG      LYS 112  -3.140 -11.448  -3.243
  837    HD2  LYS 112           2HD      LYS 112  -0.603 -11.308  -3.327
  838    HD3  LYS 112           3HD      LYS 112  -0.734  -9.676  -2.633
  839    HE2  LYS 112           2HE      LYS 112  -1.977 -10.712  -0.691
  840    HE3  LYS 112           3HE      LYS 112  -1.708 -12.303  -1.411
  841    HZ1  LYS 112           3HZ      LYS 112   0.700 -11.883  -1.213
  842    HZ2  LYS 112           1HZ      LYS 112   0.402 -10.430  -0.487
  843    HZ3  LYS 112           2HZ      LYS 112  -0.034 -11.833   0.241
  844    H    TYR 113           H        TYR 113  -1.220  -9.873  -7.864
  845    HA   TYR 113           HA       TYR 113  -3.482 -10.509  -9.672
  846    HD1  TYR 113           HD2      TYR 113  -5.845  -8.953  -9.386
  847    HD2  TYR 113           HD1      TYR 113  -2.760  -7.248  -6.898
  848    HE1  TYR 113           HE2      TYR 113  -7.524  -8.505  -7.618
  849    HE2  TYR 113           HE1      TYR 113  -4.429  -6.789  -5.128
  850    HH   TYR 113           HH       TYR 113  -6.667  -6.961  -4.485
  851    HB2  TYR 113           2HB      TYR 113  -2.313  -7.738  -9.186
  852    HB3  TYR 113           3HB      TYR 113  -3.593  -8.158 -10.310
  853    HA   PRO 114           HA       PRO 114   0.838 -10.967 -11.408
  854    HB2  PRO 114           2HB      PRO 114   0.633 -13.483 -12.491
  855    HB3  PRO 114           3HB      PRO 114   1.012 -13.179 -10.771
  856    HG2  PRO 114           2HG      PRO 114  -1.687 -13.818 -11.998
  857    HG3  PRO 114           3HG      PRO 114  -0.920 -14.566 -10.560
  858    HD2  PRO 114           2HD      PRO 114  -2.759 -12.573 -10.326
  859    HD3  PRO 114           3HD      PRO 114  -1.349 -12.668  -9.228
  860    H    ASP 115           H        ASP 115  -2.370 -11.205 -12.771
  861    HA   ASP 115           HA       ASP 115  -1.939 -11.712 -15.450
  862    HB2  ASP 115           2HB      ASP 115  -4.154 -11.585 -14.481
  863    HB3  ASP 115           3HB      ASP 115  -3.959  -9.861 -14.141
  864    H    TYR 116           H        TYR 116  -0.991 -10.730 -17.069
  865    HA   TYR 116           HA       TYR 116   0.144  -9.377 -18.352
  866    HD1  TYR 116           HD2      TYR 116  -1.556  -8.600 -20.553
  867    HD2  TYR 116           HD1      TYR 116   0.258  -5.392 -18.324
  868    HE1  TYR 116           HE2      TYR 116  -0.860  -7.529 -22.676
  869    HE2  TYR 116           HE1      TYR 116   0.912  -4.277 -20.451
  870    HH   TYR 116           HH       TYR 116   1.020  -4.461 -22.744
  871    HB2  TYR 116           2HB      TYR 116  -2.126  -8.160 -18.169
  872    HB3  TYR 116           3HB      TYR 116  -1.259  -6.963 -17.222
  873    H    GLU 117           H        GLU 117   0.823  -9.334 -15.126
  874    HA   GLU 117           HA       GLU 117   2.572  -8.798 -13.895
  875    HB2  GLU 117           2HB      GLU 117   3.874  -9.729 -15.690
  876    HB3  GLU 117           3HB      GLU 117   3.978  -8.171 -16.522
  877    HG2  GLU 117           2HG      GLU 117   5.394  -7.243 -14.875
  878    HG3  GLU 117           3HG      GLU 117   5.019  -8.532 -13.726
  879    H    VAL 118           H        VAL 118   4.050  -6.990 -13.121
  880    HA   VAL 118           HA       VAL 118   2.975  -4.298 -13.584
  881    HB   VAL 118           HB       VAL 118   3.542  -5.379 -10.787
  882   HG11  VAL 118          1HG1      VAL 118   2.101  -2.883 -11.716
  883   HG12  VAL 118          2HG1      VAL 118   2.300  -3.400 -10.030
  884   HG13  VAL 118          3HG1      VAL 118   3.711  -2.954 -10.993
  885   HG21  VAL 118          3HG2      VAL 118   0.803  -5.149 -12.094
  886   HG22  VAL 118          1HG2      VAL 118   1.587  -6.644 -11.550
  887   HG23  VAL 118          2HG2      VAL 118   1.115  -5.430 -10.373
  888    H    THR 119           H        THR 119   4.655  -2.706 -13.315
  889    HA   THR 119           HA       THR 119   7.398  -3.710 -12.730
  890    HB   THR 119           HB       THR 119   8.087  -2.167 -14.648
  891    HG1  THR 119           1HG      THR 119   6.361  -1.952 -16.243
  892   HG21  THR 119          3HG2      THR 119   8.065  -4.625 -14.848
  893   HG22  THR 119          1HG2      THR 119   6.376  -4.572 -15.409
  894   HG23  THR 119          2HG2      THR 119   7.667  -3.827 -16.378
  895    H    TRP 120           H        TRP 120   8.949  -1.782 -12.442
  896    HA   TRP 120           HA       TRP 120   7.674   0.703 -11.683
  897    HD1  TRP 120           HD1      TRP 120   9.136  -2.878  -9.659
  898    HE1  TRP 120           HE1      TRP 120  11.299  -3.463  -8.442
  899    HE3  TRP 120           HE3      TRP 120  10.835   1.887  -8.734
  900    HZ2  TRP 120           HZ2      TRP 120  13.494  -2.052  -7.189
  901    HZ3  TRP 120           HZ3      TRP 120  12.992   2.200  -7.550
  902    HH2  TRP 120           HH2      TRP 120  14.314   0.263  -6.766
  903    HB2  TRP 120           2HB      TRP 120   8.629   0.935  -9.511
  904    HB3  TRP 120           3HB      TRP 120   7.635  -0.496  -9.522
  905    H    ALA 121           H        ALA 121   9.185   2.436 -11.573
  906    HA   ALA 121           HA       ALA 121  12.026   2.094 -11.883
  907    HB1  ALA 121           3HB      ALA 121  11.449   1.801 -14.267
  908    HB2  ALA 121           1HB      ALA 121  10.427   3.256 -14.227
  909    HB3  ALA 121           2HB      ALA 121  12.186   3.393 -14.011
  910    H    ASN 122           H        ASN 122  12.315   3.467 -10.135
  911    HA   ASN 122           HA       ASN 122  10.313   5.342  -9.468
  912    HB2  ASN 122           2HB      ASN 122  12.227   4.157  -8.004
  913    HB3  ASN 122           3HB      ASN 122  12.993   5.732  -8.191
  914   HD21  ASN 122          2HD2      ASN 122  10.795   7.501  -8.060
  915   HD22  ASN 122          1HD2      ASN 122   9.828   7.220  -6.612
  916    H    ASP 123           H        ASP 123  12.904   5.693 -11.673
  917    HA   ASP 123           HA       ASP 123  13.736   8.370 -11.322
  918    HB2  ASP 123           2HB      ASP 123  14.929   6.748 -12.720
  919    HB3  ASP 123           3HB      ASP 123  13.552   6.650 -13.822
  920    H    GLY 124           H        GLY 124  10.872   7.042 -12.916
  921    HA2  GLY 124           2HA      GLY 124  10.064   9.673 -14.029
  922    HA3  GLY 124           1HA      GLY 124   9.201   8.138 -14.196
  923    H    TYR 125           H        TYR 125   8.251  10.858 -13.155
  924    HA   TYR 125           HA       TYR 125   7.830  10.421 -10.333
  925    HD1  TYR 125           HD1      TYR 125   7.764  12.302  -8.702
  926    HD2  TYR 125           HD2      TYR 125   4.138  12.475 -11.028
  927    HE1  TYR 125           HE1      TYR 125   6.454  12.508  -6.624
  928    HE2  TYR 125           HE2      TYR 125   2.809  12.675  -8.943
  929    HH   TYR 125           HH       TYR 125   4.348  12.467  -5.695
  930    HB2  TYR 125           2HB      TYR 125   7.743  12.704 -11.264
  931    HB3  TYR 125           3HB      TYR 125   6.272  12.288 -12.153
  Start of MODEL   16
    1    HA   MET   1           HA       MET   1 -12.336 -12.014  23.381
    2    H1   MET   1           H1       MET   1 -10.025 -13.673  23.817
    3    H2   MET   1           H2       MET   1 -11.591 -13.943  24.207
    4    H3   MET   1           H3       MET   1 -10.666 -12.978  25.157
    5    HB2  MET   1           2HB      MET   1  -9.618 -10.868  24.149
    6    HB3  MET   1           3HB      MET   1 -10.766  -9.997  23.137
    7    HG2  MET   1           2HG      MET   1 -11.312 -10.955  25.968
    8    HG3  MET   1           3HG      MET   1 -10.957  -9.307  25.463
    9    HE1  MET   1           3HE      MET   1 -13.431 -10.045  27.290
   10    HE2  MET   1           1HE      MET   1 -13.058  -8.392  26.747
   11    HE3  MET   1           2HE      MET   1 -14.700  -9.043  26.553
   12    H    ALA   2           H        ALA   2 -12.601 -11.799  21.178
   13    HA   ALA   2           HA       ALA   2 -10.792 -13.025  19.301
   14    HB1  ALA   2           3HB      ALA   2 -13.208 -12.733  18.842
   15    HB2  ALA   2           1HB      ALA   2 -13.006 -10.962  18.871
   16    HB3  ALA   2           2HB      ALA   2 -12.219 -11.930  17.608
   17    H    VAL   3           H        VAL   3  -9.352 -11.985  17.821
   18    HA   VAL   3           HA       VAL   3  -8.680  -9.173  18.108
   19    HB   VAL   3           HB       VAL   3  -7.593 -10.134  20.072
   20   HG11  VAL   3          1HG1      VAL   3  -6.104 -12.039  18.221
   21   HG12  VAL   3          2HG1      VAL   3  -5.794 -11.797  19.952
   22   HG13  VAL   3          3HG1      VAL   3  -7.331 -12.491  19.427
   23   HG21  VAL   3          3HG2      VAL   3  -5.439  -9.600  18.019
   24   HG22  VAL   3          1HG2      VAL   3  -6.439  -8.341  18.780
   25   HG23  VAL   3          2HG2      VAL   3  -5.371  -9.344  19.770
   26    H    ALA   4           H        ALA   4  -7.181  -8.534  16.338
   27    HA   ALA   4           HA       ALA   4  -7.509 -10.248  13.975
   28    HB1  ALA   4           3HB      ALA   4  -7.843  -7.785  13.859
   29    HB2  ALA   4           1HB      ALA   4  -6.132  -7.544  14.274
   30    HB3  ALA   4           2HB      ALA   4  -6.577  -8.349  12.760
   31    H    ASP   5           H        ASP   5  -5.315 -10.100  12.511
   32    HA   ASP   5           HA       ASP   5  -2.836 -10.428  13.974
   33    HB2  ASP   5           2HB      ASP   5  -3.715 -12.748  14.094
   34    HB3  ASP   5           3HB      ASP   5  -3.986 -12.746  12.351
   35    H    LEU   6           H        LEU   6  -1.049 -10.152  12.438
   36    HA   LEU   6           HA       LEU   6  -1.636  -8.326  10.397
   37    HG   LEU   6           HG       LEU   6   0.589  -8.699  12.786
   38    HB2  LEU   6           2HB      LEU   6   0.862 -10.025  10.758
   39    HB3  LEU   6           3HB      LEU   6   0.713  -8.594   9.754
   40   HD11  LEU   6          1HD1      LEU   6   2.544  -7.266  10.942
   41   HD12  LEU   6          2HD1      LEU   6   2.642  -7.424  12.697
   42   HD13  LEU   6          3HD1      LEU   6   2.845  -8.855  11.685
   43   HD21  LEU   6          3HD2      LEU   6   0.165  -6.316  10.934
   44   HD22  LEU   6          1HD2      LEU   6  -0.983  -6.974  12.126
   45   HD23  LEU   6          2HD2      LEU   6   0.493  -6.190  12.678
   46    H    ALA   7           H        ALA   7  -1.376 -11.881  10.186
   47    HA   ALA   7           HA       ALA   7  -1.089 -11.982   7.356
   48    HB1  ALA   7           3HB      ALA   7  -0.538 -13.866   8.865
   49    HB2  ALA   7           1HB      ALA   7  -2.265 -14.042   9.266
   50    HB3  ALA   7           2HB      ALA   7  -1.699 -14.345   7.612
   51    H    LEU   8           H        LEU   8  -3.870 -11.358   9.424
   52    HA   LEU   8           HA       LEU   8  -5.854 -12.221   7.437
   53    HG   LEU   8           HG       LEU   8  -5.421 -12.936  10.511
   54    HB2  LEU   8           2HB      LEU   8  -6.182 -10.616  10.006
   55    HB3  LEU   8           3HB      LEU   8  -7.487 -11.260   9.023
   56   HD11  LEU   8          1HD1      LEU   8  -8.378 -12.463  11.077
   57   HD12  LEU   8          2HD1      LEU   8  -7.288 -13.532  11.989
   58   HD13  LEU   8          3HD1      LEU   8  -7.021 -11.785  11.999
   59   HD21  LEU   8          3HD2      LEU   8  -7.869 -13.793   8.904
   60   HD22  LEU   8          1HD2      LEU   8  -6.168 -14.153   8.526
   61   HD23  LEU   8          2HD2      LEU   8  -6.913 -14.856   9.961
   62    H    ILE   9           H        ILE   9  -4.054  -9.291   8.182
   63    HA   ILE   9           HA       ILE   9  -5.916  -7.461   6.957
   64    HB   ILE   9           HB       ILE   9  -2.939  -7.023   7.008
   65   HG12  ILE   9          2HG1      ILE   9  -4.774  -6.479   9.409
   66   HG13  ILE   9          3HG1      ILE   9  -3.637  -7.820   9.342
   67   HG21  ILE   9          1HG2      ILE   9  -5.299  -5.124   7.337
   68   HG22  ILE   9          2HG2      ILE   9  -3.592  -4.647   7.278
   69   HG23  ILE   9          3HG2      ILE   9  -4.338  -5.366   5.860
   70   HD11  ILE   9          3HD1      ILE   9  -1.737  -6.257   9.151
   71   HD12  ILE   9          1HD1      ILE   9  -2.858  -4.893   9.345
   72   HD13  ILE   9          2HD1      ILE   9  -2.674  -6.066  10.650
   73    HA   PRO  10           HA       PRO  10  -4.782  -8.905   2.832
   74    HB2  PRO  10           2HB      PRO  10  -5.912  -6.947   1.298
   75    HB3  PRO  10           3HB      PRO  10  -6.844  -8.243   2.128
   76    HG2  PRO  10           2HG      PRO  10  -6.399  -5.391   3.039
   77    HG3  PRO  10           3HG      PRO  10  -7.938  -6.309   2.983
   78    HD2  PRO  10           2HD      PRO  10  -6.476  -6.097   5.269
   79    HD3  PRO  10           3HD      PRO  10  -7.342  -7.606   4.863
   80    H    ASP  11           H        ASP  11  -2.900  -8.642   1.737
   81    HA   ASP  11           HA       ASP  11  -1.044  -6.601   2.391
   82    HB2  ASP  11           2HB      ASP  11  -1.127  -8.758   0.265
   83    HB3  ASP  11           3HB      ASP  11   0.166  -7.565   0.297
   84    H    VAL  12           H        VAL  12  -3.496  -6.710  -0.163
   85    HA   VAL  12           HA       VAL  12  -2.653  -4.020  -1.069
   86    HB   VAL  12           HB       VAL  12  -3.389  -6.296  -2.956
   87   HG11  VAL  12          1HG1      VAL  12  -2.361  -3.471  -3.516
   88   HG12  VAL  12          2HG1      VAL  12  -2.667  -4.725  -4.736
   89   HG13  VAL  12          3HG1      VAL  12  -4.012  -4.061  -3.813
   90   HG21  VAL  12          3HG2      VAL  12  -0.636  -5.099  -2.442
   91   HG22  VAL  12          1HG2      VAL  12  -1.150  -6.774  -2.131
   92   HG23  VAL  12          2HG2      VAL  12  -1.060  -6.184  -3.783
   93    H    ASP  13           H        ASP  13  -4.425  -2.697  -1.294
   94    HA   ASP  13           HA       ASP  13  -6.998  -3.754  -2.048
   95    HB2  ASP  13           2HB      ASP  13  -7.090  -3.918   0.487
   96    HB3  ASP  13           3HB      ASP  13  -6.817  -2.179   0.559
   97    H    ILE  14           H        ILE  14  -7.657  -2.261  -3.557
   98    HA   ILE  14           HA       ILE  14  -6.695   0.497  -3.475
   99    HB   ILE  14           HB       ILE  14  -5.719   0.277  -5.778
  100   HG12  ILE  14          2HG1      ILE  14  -5.797  -2.737  -5.299
  101   HG13  ILE  14          3HG1      ILE  14  -6.865  -1.865  -6.401
  102   HG21  ILE  14          1HG2      ILE  14  -4.209  -1.459  -3.794
  103   HG22  ILE  14          2HG2      ILE  14  -3.544  -0.453  -5.097
  104   HG23  ILE  14          3HG2      ILE  14  -4.309   0.310  -3.708
  105   HD11  ILE  14          3HD1      ILE  14  -4.917  -1.139  -7.739
  106   HD12  ILE  14          1HD1      ILE  14  -3.839  -2.075  -6.669
  107   HD13  ILE  14          2HD1      ILE  14  -5.062  -2.899  -7.640
  108    H    ASP  15           H        ASP  15  -7.506   1.665  -5.516
  109    HA   ASP  15           HA       ASP  15  -9.992   0.465  -6.651
  110    HB2  ASP  15           2HB      ASP  15 -10.847   2.023  -5.061
  111    HB3  ASP  15           3HB      ASP  15  -9.707   3.279  -5.573
  112    H    SER  16           H        SER  16  -8.975  -0.131  -8.488
  113    HA   SER  16           HA       SER  16  -7.136   1.217 -10.055
  114    HG   SER  16           HG       SER  16  -7.635  -2.205 -10.600
  115    HB2  SER  16           2HB      SER  16  -9.405  -0.640 -10.899
  116    HB3  SER  16           3HB      SER  16  -7.908  -0.358 -11.791
  117    H    ASP  17           H        ASP  17  -7.339   2.435 -12.018
  118    HA   ASP  17           HA       ASP  17  -9.863   3.576 -12.872
  119    HB2  ASP  17           2HB      ASP  17  -9.644   5.020 -10.935
  120    HB3  ASP  17           3HB      ASP  17  -7.941   5.324 -11.282
  121    H    GLY  18           H        GLY  18  -6.315   4.238 -12.741
  122    HA2  GLY  18           2HA      GLY  18  -5.653   3.863 -15.436
  123    HA3  GLY  18           1HA      GLY  18  -6.220   5.535 -15.289
  124    H    VAL  19           H        VAL  19  -5.383   6.604 -13.140
  125    HA   VAL  19           HA       VAL  19  -2.691   5.812 -12.294
  126    HB   VAL  19           HB       VAL  19  -3.412   8.621 -13.253
  127   HG11  VAL  19          1HG1      VAL  19  -0.803   7.493 -12.141
  128   HG12  VAL  19          2HG1      VAL  19  -0.996   9.115 -12.843
  129   HG13  VAL  19          3HG1      VAL  19  -1.856   8.693 -11.362
  130   HG21  VAL  19          3HG2      VAL  19  -1.545   6.593 -14.532
  131   HG22  VAL  19          1HG2      VAL  19  -3.031   7.266 -15.232
  132   HG23  VAL  19          2HG2      VAL  19  -1.635   8.310 -14.978
  133    H    PHE  20           H        PHE  20  -2.672   6.039 -10.014
  134    HA   PHE  20           HA       PHE  20  -4.239   8.140  -8.733
  135    HD1  PHE  20           HD2      PHE  20  -5.406   4.500 -10.288
  136    HD2  PHE  20           HD1      PHE  20  -4.344   4.681  -6.118
  137    HE1  PHE  20           HE2      PHE  20  -4.893   2.079 -10.310
  138    HE2  PHE  20           HE1      PHE  20  -3.900   2.239  -6.125
  139    HZ   PHE  20           HZ       PHE  20  -4.142   0.940  -8.231
  140    HB2  PHE  20           2HB      PHE  20  -5.429   6.595  -7.205
  141    HB3  PHE  20           3HB      PHE  20  -5.992   6.481  -8.860
  142    H    LYS  21           H        LYS  21  -3.578   8.443  -6.506
  143    HA   LYS  21           HA       LYS  21  -0.763   7.791  -6.108
  144    HB2  LYS  21           2HB      LYS  21  -2.845   9.402  -4.604
  145    HB3  LYS  21           3HB      LYS  21  -1.304   9.021  -3.866
  146    HG2  LYS  21           2HG      LYS  21  -1.279  11.250  -4.815
  147    HG3  LYS  21           3HG      LYS  21  -0.083  10.214  -5.592
  148    HD2  LYS  21           2HD      LYS  21  -1.423   9.996  -7.582
  149    HD3  LYS  21           3HD      LYS  21  -2.812  10.799  -6.831
  150    HE2  LYS  21           2HE      LYS  21  -0.124  12.195  -7.117
  151    HE3  LYS  21           3HE      LYS  21  -1.261  12.123  -8.469
  152    HZ1  LYS  21           3HZ      LYS  21  -2.905  13.252  -7.171
  153    HZ2  LYS  21           1HZ      LYS  21  -1.993  13.261  -5.830
  154    HZ3  LYS  21           2HZ      LYS  21  -1.529  14.144  -7.140
  155    H    TYR  22           H        TYR  22   0.086   6.682  -4.251
  156    HA   TYR  22           HA       TYR  22  -1.727   4.928  -2.766
  157    HD1  TYR  22           HD2      TYR  22   1.833   4.516  -5.338
  158    HD2  TYR  22           HD1      TYR  22   0.254   1.796  -2.396
  159    HE1  TYR  22           HE2      TYR  22   4.144   3.845  -4.720
  160    HE2  TYR  22           HE1      TYR  22   2.542   1.121  -1.770
  161    HH   TYR  22           HH       TYR  22   4.785   1.591  -2.010
  162    HB2  TYR  22           2HB      TYR  22  -1.206   3.011  -3.828
  163    HB3  TYR  22           3HB      TYR  22  -0.645   3.996  -5.152
  164    H    VAL  23           H        VAL  23  -0.467   3.795  -0.990
  165    HA   VAL  23           HA       VAL  23   2.176   4.929  -0.393
  166    HB   VAL  23           HB       VAL  23   1.594   5.172   2.021
  167   HG11  VAL  23          1HG1      VAL  23   0.126   7.079   0.168
  168   HG12  VAL  23          2HG1      VAL  23   0.606   7.400   1.851
  169   HG13  VAL  23          3HG1      VAL  23   1.841   7.139   0.614
  170   HG21  VAL  23          3HG2      VAL  23  -1.294   5.035   1.076
  171   HG22  VAL  23          1HG2      VAL  23  -0.482   3.859   2.098
  172   HG23  VAL  23          2HG2      VAL  23  -0.745   5.508   2.699
  173    H    LEU  24           H        LEU  24   3.387   3.708   1.071
  174    HA   LEU  24           HA       LEU  24   2.664   0.812   1.153
  175    HG   LEU  24           HG       LEU  24   6.307   0.007   0.559
  176    HB2  LEU  24           2HB      LEU  24   4.748   1.747  -0.153
  177    HB3  LEU  24           3HB      LEU  24   5.438   2.069   1.409
  178   HD11  LEU  24          1HD1      LEU  24   4.284  -0.896   2.641
  179   HD12  LEU  24          2HD1      LEU  24   5.907  -1.529   2.322
  180   HD13  LEU  24          3HD1      LEU  24   5.716   0.080   3.034
  181   HD21  LEU  24          3HD2      LEU  24   3.504  -1.157   0.405
  182   HD22  LEU  24          1HD2      LEU  24   4.335  -0.415  -0.977
  183   HD23  LEU  24          2HD2      LEU  24   5.027  -1.839  -0.212
  184    H    ILE  25           H        ILE  25   2.059   0.263   3.265
  185    HA   ILE  25           HA       ILE  25   3.046   2.023   5.479
  186    HB   ILE  25           HB       ILE  25   0.356   0.645   5.273
  187   HG12  ILE  25          2HG1      ILE  25   1.039   3.599   4.948
  188   HG13  ILE  25          3HG1      ILE  25   0.480   2.509   3.677
  189   HG21  ILE  25          1HG2      ILE  25   1.460   2.600   7.338
  190   HG22  ILE  25          2HG2      ILE  25  -0.181   1.906   7.336
  191   HG23  ILE  25          3HG2      ILE  25   1.193   0.860   7.584
  192   HD11  ILE  25          3HD1      ILE  25  -1.661   2.165   4.944
  193   HD12  ILE  25          1HD1      ILE  25  -1.146   3.448   6.069
  194   HD13  ILE  25          2HD1      ILE  25  -1.405   3.820   4.366
  195    H    ARG  26           H        ARG  26   4.399   1.001   6.759
  196    HA   ARG  26           HA       ARG  26   4.504  -1.943   6.924
  197    HE   ARG  26           HE       ARG  26   8.020   0.190   9.480
  198    HB2  ARG  26           2HB      ARG  26   6.554  -0.478   7.004
  199    HB3  ARG  26           3HB      ARG  26   5.978   0.219   8.512
  200    HG2  ARG  26           2HG      ARG  26   6.198  -1.864   9.684
  201    HG3  ARG  26           3HG      ARG  26   6.320  -2.785   8.186
  202    HD2  ARG  26           2HD      ARG  26   8.473  -2.667   9.283
  203    HD3  ARG  26           3HD      ARG  26   8.512  -1.884   7.698
  204   HH11  ARG  26          1HH2      ARG  26  10.564  -2.273   9.165
  205   HH12  ARG  26          2HH2      ARG  26  11.823  -1.248   9.742
  206   HH21  ARG  26          1HH1      ARG  26   9.729   1.606  10.123
  207   HH22  ARG  26          2HH1      ARG  26  11.326   0.975  10.353
  208    H    VAL  27           H        VAL  27   3.764  -3.035   8.821
  209    HA   VAL  27           HA       VAL  27   2.292  -1.490  10.836
  210    HB   VAL  27           HB       VAL  27   0.645  -1.950   9.150
  211   HG11  VAL  27          1HG1      VAL  27   1.408  -4.884   9.305
  212   HG12  VAL  27          2HG1      VAL  27  -0.023  -4.241   8.470
  213   HG13  VAL  27          3HG1      VAL  27   1.587  -3.807   7.900
  214   HG21  VAL  27          3HG2      VAL  27   0.232  -3.921  11.427
  215   HG22  VAL  27          1HG2      VAL  27  -0.016  -2.166  11.517
  216   HG23  VAL  27          2HG2      VAL  27  -1.015  -3.144  10.430
  217    H    HIS  28           H        HIS  28   2.151  -2.623  12.827
  218    HA   HIS  28           HA       HIS  28   4.087  -4.886  13.130
  219    HD1  HIS  28           HD1      HIS  28   6.842  -3.733  13.025
  220    HD2  HIS  28           HD2      HIS  28   4.345  -0.373  13.487
  221    HE1  HIS  28           HE1      HIS  28   7.986  -1.812  11.810
  222    HB2  HIS  28           2HB      HIS  28   3.701  -2.470  14.941
  223    HB3  HIS  28           3HB      HIS  28   4.909  -3.742  15.107
  224    H    SER  29           H        SER  29   3.510  -6.412  14.735
  225    HA   SER  29           HA       SER  29   0.792  -6.805  15.236
  226    HG   SER  29           HG       SER  29   2.153  -9.668  15.007
  227    HB2  SER  29           2HB      SER  29   3.170  -7.968  16.717
  228    HB3  SER  29           3HB      SER  29   1.520  -8.614  16.712
  229    H    ALA  30           H        ALA  30  -0.352  -5.290  16.304
  230    HA   ALA  30           HA       ALA  30  -0.072  -5.323  19.210
  231    HB1  ALA  30           3HB      ALA  30   1.135  -3.261  18.561
  232    HB2  ALA  30           1HB      ALA  30  -0.292  -2.692  17.674
  233    HB3  ALA  30           2HB      ALA  30  -0.355  -2.882  19.437
  234    HA   PRO  31           HA       PRO  31  -4.410  -4.914  17.061
  235    HB2  PRO  31           2HB      PRO  31  -5.362  -7.451  16.748
  236    HB3  PRO  31           3HB      PRO  31  -4.448  -6.550  15.505
  237    HG2  PRO  31           2HG      PRO  31  -3.383  -8.612  17.446
  238    HG3  PRO  31           3HG      PRO  31  -3.080  -8.470  15.679
  239    HD2  PRO  31           2HD      PRO  31  -1.329  -7.517  17.526
  240    HD3  PRO  31           3HD      PRO  31  -1.627  -6.690  15.963
  241    H    ARG  32           H        ARG  32  -6.201  -4.796  18.304
  242    HA   ARG  32           HA       ARG  32  -7.155  -4.238  20.223
  243    HE   ARG  32           HE       ARG  32 -10.790  -6.081  22.939
  244    HB2  ARG  32           2HB      ARG  32  -7.897  -6.622  19.592
  245    HB3  ARG  32           3HB      ARG  32  -6.960  -7.168  20.989
  246    HG2  ARG  32           2HG      ARG  32  -8.402  -5.822  22.481
  247    HG3  ARG  32           3HG      ARG  32  -9.209  -5.097  21.077
  248    HD2  ARG  32           2HD      ARG  32 -10.045  -7.322  20.413
  249    HD3  ARG  32           3HD      ARG  32  -9.262  -8.051  21.831
  250   HH11  ARG  32          1HH2      ARG  32 -11.561  -8.775  20.757
  251   HH12  ARG  32          2HH2      ARG  32 -13.251  -8.790  21.160
  252   HH21  ARG  32          1HH1      ARG  32 -13.005  -6.161  23.534
  253   HH22  ARG  32          2HH1      ARG  32 -14.059  -7.330  22.839
  254    H    SER  33           H        SER  33  -4.095  -4.201  20.382
  255    HA   SER  33           HA       SER  33  -2.392  -4.167  21.819
  256    HG   SER  33           HG       SER  33  -3.829  -1.048  22.836
  257    HB2  SER  33           2HB      SER  33  -4.441  -3.055  23.772
  258    HB3  SER  33           3HB      SER  33  -2.689  -2.793  23.797
  259    H    GLY  34           H        GLY  34  -3.631  -6.732  21.624
  260    HA2  GLY  34           2HA      GLY  34  -2.914  -7.990  24.184
  261    HA3  GLY  34           1HA      GLY  34  -4.637  -7.993  23.765
  262    H    ALA  35           H        ALA  35  -1.538  -8.485  21.991
  263    HA   ALA  35           HA       ALA  35  -2.307 -11.259  21.402
  264    HB1  ALA  35           3HB      ALA  35  -2.954 -10.034  19.365
  265    HB2  ALA  35           1HB      ALA  35  -1.343  -9.284  19.280
  266    HB3  ALA  35           2HB      ALA  35  -1.525 -11.036  19.053
  267    HA   PRO  36           HA       PRO  36   1.837 -11.502  22.915
  268    HB2  PRO  36           2HB      PRO  36   2.549 -14.078  22.340
  269    HB3  PRO  36           3HB      PRO  36   1.261 -13.668  23.512
  270    HG2  PRO  36           2HG      PRO  36   0.940 -14.433  20.590
  271    HG3  PRO  36           3HG      PRO  36   0.073 -15.104  22.010
  272    HD2  PRO  36           2HD      PRO  36  -1.003 -13.128  20.465
  273    HD3  PRO  36           3HD      PRO  36  -1.248 -13.165  22.237
  274    H    ALA  37           H        ALA  37   1.269 -11.949  19.487
  275    HA   ALA  37           HA       ALA  37   3.949 -12.342  18.599
  276    HB1  ALA  37           3HB      ALA  37   1.968 -12.787  17.192
  277    HB2  ALA  37           1HB      ALA  37   1.570 -11.052  17.183
  278    HB3  ALA  37           2HB      ALA  37   3.057 -11.634  16.403
  279    H    ALA  38           H        ALA  38   5.405 -10.865  17.672
  280    HA   ALA  38           HA       ALA  38   4.985  -7.959  17.990
  281    HB1  ALA  38           3HB      ALA  38   6.188  -8.713  20.035
  282    HB2  ALA  38           1HB      ALA  38   7.448  -9.445  19.011
  283    HB3  ALA  38           2HB      ALA  38   7.200  -7.684  19.007
  284    H    GLU  39           H        GLU  39   4.732  -9.652  15.725
  285    HA   GLU  39           HA       GLU  39   7.207  -9.496  14.161
  286    HB2  GLU  39           2HB      GLU  39   4.386 -10.426  13.438
  287    HB3  GLU  39           3HB      GLU  39   5.803 -10.571  12.404
  288    HG2  GLU  39           2HG      GLU  39   5.357 -11.994  15.059
  289    HG3  GLU  39           3HG      GLU  39   5.288 -12.703  13.454
  290    H    SER  40           H        SER  40   6.630  -8.686  11.768
  291    HA   SER  40           HA       SER  40   4.928  -6.307  11.766
  292    HG   SER  40           HG       SER  40   8.354  -5.775  12.657
  293    HB2  SER  40           2HB      SER  40   7.759  -6.183  10.702
  294    HB3  SER  40           3HB      SER  40   6.586  -4.870  10.797
  295    H    LYS  41           H        LYS  41   4.487  -5.611   9.580
  296    HA   LYS  41           HA       LYS  41   4.812  -7.476   7.341
  297    HB2  LYS  41           2HB      LYS  41   3.026  -8.453   8.761
  298    HB3  LYS  41           3HB      LYS  41   2.161  -6.930   8.767
  299    HG2  LYS  41           2HG      LYS  41   2.623  -8.011   6.043
  300    HG3  LYS  41           3HG      LYS  41   1.739  -9.100   7.114
  301    HD2  LYS  41           2HD      LYS  41   0.059  -7.380   7.612
  302    HD3  LYS  41           3HD      LYS  41   0.956  -6.192   6.666
  303    HE2  LYS  41           2HE      LYS  41  -0.906  -6.986   5.360
  304    HE3  LYS  41           3HE      LYS  41   0.607  -7.510   4.615
  305    HZ1  LYS  41           3HZ      LYS  41   0.206  -9.700   5.711
  306    HZ2  LYS  41           1HZ      LYS  41  -1.289  -9.176   6.171
  307    HZ3  LYS  41           2HZ      LYS  41  -0.878  -9.305   4.564
  308    H    GLU  42           H        GLU  42   3.378  -6.319   5.445
  309    HA   GLU  42           HA       GLU  42   3.179  -3.420   5.913
  310    HB2  GLU  42           2HB      GLU  42   4.419  -4.295   3.327
  311    HB3  GLU  42           3HB      GLU  42   4.528  -2.772   4.174
  312    HG2  GLU  42           2HG      GLU  42   6.686  -3.684   4.204
  313    HG3  GLU  42           3HG      GLU  42   6.074  -3.865   5.839
  314    H    ILE  43           H        ILE  43   1.814  -2.381   4.319
  315    HA   ILE  43           HA       ILE  43   0.194  -4.172   2.612
  316    HB   ILE  43           HB       ILE  43  -1.849  -3.009   3.360
  317   HG12  ILE  43          2HG1      ILE  43  -0.168  -1.853   5.616
  318   HG13  ILE  43          3HG1      ILE  43  -0.901  -0.951   4.284
  319   HG21  ILE  43          1HG2      ILE  43  -0.490  -4.403   5.688
  320   HG22  ILE  43          2HG2      ILE  43  -2.221  -4.363   5.291
  321   HG23  ILE  43          3HG2      ILE  43  -1.113  -5.232   4.239
  322   HD11  ILE  43          3HD1      ILE  43  -3.165  -1.583   5.117
  323   HD12  ILE  43          1HD1      ILE  43  -2.416  -2.406   6.502
  324   HD13  ILE  43          2HD1      ILE  43  -2.221  -0.666   6.299
  325    H    VAL  44           H        VAL  44  -0.805  -3.134   0.889
  326    HA   VAL  44           HA       VAL  44   0.386  -0.540   0.022
  327    HB   VAL  44           HB       VAL  44  -0.755  -2.892  -1.566
  328   HG11  VAL  44          1HG1      VAL  44   0.894  -0.555  -2.584
  329   HG12  VAL  44          2HG1      VAL  44   0.193  -1.874  -3.536
  330   HG13  VAL  44          3HG1      VAL  44  -0.872  -0.700  -2.764
  331   HG21  VAL  44          3HG2      VAL  44   2.167  -2.182  -1.140
  332   HG22  VAL  44          1HG2      VAL  44   1.328  -3.613  -0.499
  333   HG23  VAL  44          2HG2      VAL  44   1.545  -3.428  -2.241
  334    H    ARG  45           H        ARG  45  -1.093   1.108  -0.070
  335    HA   ARG  45           HA       ARG  45  -4.007   0.496  -0.443
  336    HE   ARG  45           HE       ARG  45  -4.067  -1.092   0.888
  337    HB2  ARG  45           2HB      ARG  45  -2.747   2.683   1.284
  338    HB3  ARG  45           3HB      ARG  45  -4.467   2.485   1.002
  339    HG2  ARG  45           2HG      ARG  45  -2.691   0.552   2.567
  340    HG3  ARG  45           3HG      ARG  45  -3.727   1.805   3.214
  341    HD2  ARG  45           2HD      ARG  45  -5.099  -0.040   3.477
  342    HD3  ARG  45           3HD      ARG  45  -5.664   0.561   1.921
  343   HH11  ARG  45          1HH2      ARG  45  -5.676  -1.870   3.975
  344   HH12  ARG  45          2HH2      ARG  45  -5.152  -3.516   3.955
  345   HH21  ARG  45          1HH1      ARG  45  -3.367  -3.167   0.912
  346   HH22  ARG  45          2HH1      ARG  45  -3.828  -4.298   2.168
  347    H    GLY  46           H        GLY  46  -5.001   1.959  -1.958
  348    HA2  GLY  46           2HA      GLY  46  -3.948   4.516  -2.532
  349    HA3  GLY  46           1HA      GLY  46  -3.375   3.400  -3.783
  350    H    TYR  47           H        TYR  47  -5.580   5.658  -3.479
  351    HA   TYR  47           HA       TYR  47  -7.616   4.286  -5.103
  352    HD1  TYR  47           HD1      TYR  47  -6.986   4.832  -0.934
  353    HD2  TYR  47           HD2      TYR  47  -9.565   2.354  -3.307
  354    HE1  TYR  47           HE1      TYR  47  -6.781   3.017   0.754
  355    HE2  TYR  47           HE2      TYR  47  -9.352   0.518  -1.665
  356    HH   TYR  47           HH       TYR  47  -7.572   0.914   1.417
  357    HB2  TYR  47           2HB      TYR  47  -8.441   5.792  -2.602
  358    HB3  TYR  47           3HB      TYR  47  -9.449   4.813  -3.646
  359    H    LYS  48           H        LYS  48  -8.973   5.862  -6.200
  360    HA   LYS  48           HA       LYS  48  -7.605   8.212  -6.924
  361    HB2  LYS  48           2HB      LYS  48  -9.514   6.852  -8.135
  362    HB3  LYS  48           3HB      LYS  48 -10.612   7.878  -7.217
  363    HG2  LYS  48           2HG      LYS  48 -10.377   8.914  -9.325
  364    HG3  LYS  48           3HG      LYS  48  -9.377   9.895  -8.250
  365    HD2  LYS  48           2HD      LYS  48  -7.343   8.654  -9.077
  366    HD3  LYS  48           3HD      LYS  48  -8.399   7.691 -10.126
  367    HE2  LYS  48           2HE      LYS  48  -9.175   9.929 -11.139
  368    HE3  LYS  48           3HE      LYS  48  -7.837  10.682 -10.257
  369    HZ1  LYS  48           3HZ      LYS  48  -6.361   9.064 -11.461
  370    HZ2  LYS  48           1HZ      LYS  48  -7.654   8.580 -12.335
  371    HZ3  LYS  48           2HZ      LYS  48  -7.122  10.130 -12.465
  372    H    TRP  49           H        TRP  49 -10.051   7.729  -4.360
  373    HA   TRP  49           HA       TRP  49 -10.617  10.487  -3.992
  374    HD1  TRP  49           HD1      TRP  49 -12.491   6.562  -3.146
  375    HE1  TRP  49           HE1      TRP  49 -11.836   4.597  -1.664
  376    HE3  TRP  49           HE3      TRP  49  -9.139   8.938  -0.081
  377    HZ2  TRP  49           HZ2      TRP  49 -10.057   4.098   0.588
  378    HZ3  TRP  49           HZ3      TRP  49  -7.897   7.671   1.623
  379    HH2  TRP  49           HH2      TRP  49  -8.315   5.230   1.950
  380    HB2  TRP  49           2HB      TRP  49 -11.421   9.769  -1.716
  381    HB3  TRP  49           3HB      TRP  49 -12.186   9.063  -3.115
  382    H    ALA  50           H        ALA  50  -7.856   8.556  -2.833
  383    HA   ALA  50           HA       ALA  50  -6.991  10.751  -1.072
  384    HB1  ALA  50           3HB      ALA  50  -6.579   8.579  -0.214
  385    HB2  ALA  50           1HB      ALA  50  -5.739   8.068  -1.712
  386    HB3  ALA  50           2HB      ALA  50  -5.044   9.324  -0.653
  387    H    GLU  51           H        GLU  51  -7.097  12.240  -2.954
  388    HA   GLU  51           HA       GLU  51  -5.251  12.064  -5.110
  389    HB2  GLU  51           2HB      GLU  51  -7.291  13.542  -4.907
  390    HB3  GLU  51           3HB      GLU  51  -6.418  14.537  -3.748
  391    HG2  GLU  51           2HG      GLU  51  -6.404  15.608  -5.901
  392    HG3  GLU  51           3HG      GLU  51  -4.763  15.126  -5.518
  393    H    TYR  52           H        TYR  52  -4.697  12.672  -1.738
  394    HA   TYR  52           HA       TYR  52  -1.898  13.471  -2.257
  395    HD1  TYR  52           HD1      TYR  52  -4.936  15.587  -2.049
  396    HD2  TYR  52           HD2      TYR  52  -3.671  14.429   1.892
  397    HE1  TYR  52           HE1      TYR  52  -7.175  16.226  -1.161
  398    HE2  TYR  52           HE2      TYR  52  -5.884  15.075   2.810
  399    HH   TYR  52           HH       TYR  52  -8.522  16.380   0.738
  400    HB2  TYR  52           2HB      TYR  52  -2.092  14.548   0.098
  401    HB3  TYR  52           3HB      TYR  52  -2.510  15.427  -1.357
  402    H    HIS  53           H        HIS  53  -0.386  12.557  -0.590
  403    HA   HIS  53           HA       HIS  53  -1.104   9.719  -0.421
  404    HD2  HIS  53           HD2      HIS  53   1.466  12.731  -1.802
  405    HE1  HIS  53           HE1      HIS  53   2.424   9.602  -4.498
  406    HE2  HIS  53           HE2      HIS  53   2.336  12.116  -4.199
  407    HB2  HIS  53           2HB      HIS  53   1.449  11.142   0.438
  408    HB3  HIS  53           3HB      HIS  53   1.229   9.428   0.192
  409    H    ALA  54           H        ALA  54  -0.492  12.511   1.710
  410    HA   ALA  54           HA       ALA  54  -0.621  11.223   4.202
  411    HB1  ALA  54           3HB      ALA  54  -0.114  13.632   3.905
  412    HB2  ALA  54           1HB      ALA  54  -1.812  13.931   3.462
  413    HB3  ALA  54           2HB      ALA  54  -1.402  13.375   5.097
  414    H    ASP  55           H        ASP  55  -3.326  11.712   1.911
  415    HA   ASP  55           HA       ASP  55  -5.369  11.619   3.924
  416    HB2  ASP  55           2HB      ASP  55  -5.631  12.436   1.493
  417    HB3  ASP  55           3HB      ASP  55  -5.697  10.762   1.030
  418    H    ILE  56           H        ILE  56  -4.011   9.111   1.729
  419    HA   ILE  56           HA       ILE  56  -5.610   6.991   2.848
  420    HB   ILE  56           HB       ILE  56  -3.450   5.642   1.884
  421   HG12  ILE  56          2HG1      ILE  56  -3.360   8.242   0.352
  422   HG13  ILE  56          3HG1      ILE  56  -2.068   7.272   1.054
  423   HG21  ILE  56          1HG2      ILE  56  -5.833   6.526   0.278
  424   HG22  ILE  56          2HG2      ILE  56  -4.834   5.075   0.020
  425   HG23  ILE  56          3HG2      ILE  56  -5.784   5.228   1.489
  426   HD11  ILE  56          3HD1      ILE  56  -2.548   5.541  -0.731
  427   HD12  ILE  56          1HD1      ILE  56  -3.739   6.656  -1.434
  428   HD13  ILE  56          2HD1      ILE  56  -2.030   7.119  -1.366
  429    H    TYR  57           H        TYR  57  -2.326   8.301   3.584
  430    HA   TYR  57           HA       TYR  57  -1.739   6.170   5.367
  431    HD1  TYR  57           HD2      TYR  57   0.150   5.470   6.341
  432    HD2  TYR  57           HD1      TYR  57   0.349   9.631   7.466
  433    HE1  TYR  57           HE2      TYR  57   1.309   4.839   8.422
  434    HE2  TYR  57           HE1      TYR  57   1.537   9.011   9.545
  435    HH   TYR  57           HH       TYR  57   2.413   7.264  10.830
  436    HB2  TYR  57           2HB      TYR  57   0.024   7.696   4.616
  437    HB3  TYR  57           3HB      TYR  57  -0.749   9.044   5.457
  438    H    ASP  58           H        ASP  58  -3.233   9.423   6.067
  439    HA   ASP  58           HA       ASP  58  -3.539   8.969   8.831
  440    HB2  ASP  58           2HB      ASP  58  -3.785  11.174   7.829
  441    HB3  ASP  58           3HB      ASP  58  -5.202  10.644   6.915
  442    H    LYS  59           H        LYS  59  -5.816   8.258   6.138
  443    HA   LYS  59           HA       LYS  59  -7.977   7.299   7.735
  444    HB2  LYS  59           2HB      LYS  59  -8.269   7.907   5.444
  445    HB3  LYS  59           3HB      LYS  59  -7.073   6.745   4.878
  446    HG2  LYS  59           2HG      LYS  59  -8.497   4.974   4.933
  447    HG3  LYS  59           3HG      LYS  59  -9.363   5.549   6.378
  448    HD2  LYS  59           2HD      LYS  59 -10.598   7.186   5.088
  449    HD3  LYS  59           3HD      LYS  59  -9.634   6.856   3.653
  450    HE2  LYS  59           2HE      LYS  59 -11.730   5.773   3.329
  451    HE3  LYS  59           3HE      LYS  59 -10.525   4.515   3.597
  452    HZ1  LYS  59           3HZ      LYS  59 -11.343   4.320   5.882
  453    HZ2  LYS  59           1HZ      LYS  59 -12.433   5.520   5.639
  454    HZ3  LYS  59           2HZ      LYS  59 -12.569   4.114   4.833
  455    H    VAL  60           H        VAL  60  -5.260   5.451   6.181
  456    HA   VAL  60           HA       VAL  60  -6.410   3.043   7.326
  457    HB   VAL  60           HB       VAL  60  -3.972   3.445   5.576
  458   HG11  VAL  60          1HG1      VAL  60  -5.471   0.902   6.400
  459   HG12  VAL  60          2HG1      VAL  60  -4.160   0.984   5.206
  460   HG13  VAL  60          3HG1      VAL  60  -3.818   1.334   6.883
  461   HG21  VAL  60          3HG2      VAL  60  -6.895   2.662   5.056
  462   HG22  VAL  60          1HG2      VAL  60  -6.056   4.103   4.440
  463   HG23  VAL  60          2HG2      VAL  60  -5.627   2.519   3.844
  464    H    SER  61           H        SER  61  -3.571   5.126   8.224
  465    HA   SER  61           HA       SER  61  -2.642   3.212  10.165
  466    HG   SER  61           HG       SER  61  -1.649   7.150  10.243
  467    HB2  SER  61           2HB      SER  61  -1.357   4.986  11.101
  468    HB3  SER  61           3HB      SER  61  -1.288   5.142   9.340
  469    H    GLY  62           H        GLY  62  -5.164   5.760  10.139
  470    HA2  GLY  62           2HA      GLY  62  -5.971   5.582  12.848
  471    HA3  GLY  62           1HA      GLY  62  -6.996   6.021  11.465
  472    H    ASP  63           H        ASP  63  -7.206   3.774   9.936
  473    HA   ASP  63           HA       ASP  63  -8.992   2.127  11.358
  474    HB2  ASP  63           2HB      ASP  63  -9.006   2.384   8.915
  475    HB3  ASP  63           3HB      ASP  63  -7.490   1.484   8.804
  476    H    MET  64           H        MET  64  -5.544   1.513  10.557
  477    HA   MET  64           HA       MET  64  -5.432  -1.100  11.703
  478    HB2  MET  64           2HB      MET  64  -3.282   1.033  11.355
  479    HB3  MET  64           3HB      MET  64  -2.958  -0.607  11.881
  480    HG2  MET  64           2HG      MET  64  -4.263   0.054   9.213
  481    HG3  MET  64           3HG      MET  64  -2.565  -0.302   9.440
  482    HE1  MET  64           3HE      MET  64  -6.198  -1.643   9.589
  483    HE2  MET  64           1HE      MET  64  -5.469  -1.673   7.951
  484    HE3  MET  64           2HE      MET  64  -5.915  -3.193   8.763
  485    H    GLN  65           H        GLN  65  -4.750   2.150  13.167
  486    HA   GLN  65           HA       GLN  65  -4.130   1.050  15.721
  487    HB2  GLN  65           2HB      GLN  65  -4.895   3.779  14.669
  488    HB3  GLN  65           3HB      GLN  65  -4.634   3.515  16.400
  489    HG2  GLN  65           2HG      GLN  65  -2.341   2.773  16.013
  490    HG3  GLN  65           3HG      GLN  65  -2.556   2.833  14.262
  491   HE21  GLN  65          2HE2      GLN  65  -3.158   4.983  13.327
  492   HE22  GLN  65          1HE2      GLN  65  -2.425   6.427  14.020
  493    H    LYS  66           H        LYS  66  -7.252   1.950  14.235
  494    HA   LYS  66           HA       LYS  66  -8.762   1.595  16.675
  495    HB2  LYS  66           2HB      LYS  66  -9.505   1.538  13.730
  496    HB3  LYS  66           3HB      LYS  66 -10.678   1.190  15.008
  497    HG2  LYS  66           2HG      LYS  66 -10.246   3.356  16.073
  498    HG3  LYS  66           3HG      LYS  66  -9.050   3.771  14.853
  499    HD2  LYS  66           2HD      LYS  66 -12.003   3.260  14.299
  500    HD3  LYS  66           3HD      LYS  66 -11.273   4.852  14.539
  501    HE2  LYS  66           2HE      LYS  66  -9.801   4.483  12.554
  502    HE3  LYS  66           3HE      LYS  66 -10.575   2.912  12.294
  503    HZ1  LYS  66           3HZ      LYS  66 -12.678   4.076  11.955
  504    HZ2  LYS  66           1HZ      LYS  66 -11.966   5.527  12.197
  505    HZ3  LYS  66           2HZ      LYS  66 -11.560   4.624  10.905
  506    H    GLN  67           H        GLN  67  -7.676  -0.723  14.088
  507    HA   GLN  67           HA       GLN  67  -8.859  -2.992  15.442
  508    HB2  GLN  67           2HB      GLN  67  -6.514  -2.818  13.505
  509    HB3  GLN  67           3HB      GLN  67  -7.216  -4.322  14.087
  510    HG2  GLN  67           2HG      GLN  67  -8.832  -2.198  12.621
  511    HG3  GLN  67           3HG      GLN  67  -7.999  -3.517  11.810
  512   HE21  GLN  67          2HE2      GLN  67  -8.773  -5.730  12.128
  513   HE22  GLN  67          1HE2      GLN  67 -10.368  -6.030  12.769
  514    H    GLY  68           H        GLY  68  -5.897  -1.154  15.872
  515    HA2  GLY  68           2HA      GLY  68  -5.203  -1.069  18.273
  516    HA3  GLY  68           1HA      GLY  68  -5.066  -2.830  18.190
  517    H    CYS  69           H        CYS  69  -4.134  -2.447  15.283
  518    HA   CYS  69           HA       CYS  69  -1.391  -2.979  15.718
  519    HG   CYS  69           HG       CYS  69  -2.861  -4.790  12.543
  520    HB2  CYS  69           2HB      CYS  69  -3.074  -2.292  13.281
  521    HB3  CYS  69           3HB      CYS  69  -1.367  -2.714  13.173
  522    H    ASP  70           H        ASP  70   0.465  -1.820  15.016
  523    HA   ASP  70           HA       ASP  70   0.197   1.163  15.116
  524    HB2  ASP  70           2HB      ASP  70   1.356   0.252  17.053
  525    HB3  ASP  70           3HB      ASP  70   2.410  -0.714  16.020
  526    H    CYS  71           H        CYS  71   1.448   2.340  13.512
  527    HA   CYS  71           HA       CYS  71   2.428   0.698  11.236
  528    HG   CYS  71           HG       CYS  71  -1.280   1.128   9.944
  529    HB2  CYS  71           2HB      CYS  71   0.259   2.850  11.217
  530    HB3  CYS  71           3HB      CYS  71   1.015   2.203   9.762
  531    H    GLU  72           H        GLU  72   3.530   1.913   9.528
  532    HA   GLU  72           HA       GLU  72   4.133   4.758   9.944
  533    HB2  GLU  72           2HB      GLU  72   5.931   3.691  11.181
  534    HB3  GLU  72           3HB      GLU  72   6.171   2.484   9.911
  535    HG2  GLU  72           2HG      GLU  72   7.001   4.184   8.379
  536    HG3  GLU  72           3HG      GLU  72   6.631   5.465   9.545
  537    H    CYS  73           H        CYS  73   3.883   5.676   7.844
  538    HA   CYS  73           HA       CYS  73   3.763   3.946   5.502
  539    HG   CYS  73           HG       CYS  73   3.000   8.377   5.466
  540    HB2  CYS  73           2HB      CYS  73   3.784   6.194   4.263
  541    HB3  CYS  73           3HB      CYS  73   2.379   5.835   5.245
  542    H    LEU  74           H        LEU  74   5.540   3.147   4.507
  543    HA   LEU  74           HA       LEU  74   8.226   4.084   5.201
  544    HG   LEU  74           HG       LEU  74   6.874   1.094   5.183
  545    HB2  LEU  74           2HB      LEU  74   7.283   2.150   3.039
  546    HB3  LEU  74           3HB      LEU  74   8.954   2.484   3.464
  547   HD11  LEU  74          1HD1      LEU  74   9.577   0.156   4.121
  548   HD12  LEU  74          2HD1      LEU  74   8.392  -0.813   5.025
  549   HD13  LEU  74          3HD1      LEU  74   8.009  -0.240   3.396
  550   HD21  LEU  74          3HD2      LEU  74   9.686   1.983   5.962
  551   HD22  LEU  74          1HD2      LEU  74   8.153   2.433   6.748
  552   HD23  LEU  74          2HD2      LEU  74   8.740   0.775   6.851
  553    H    GLY  75           H        GLY  75   5.804   4.775   2.725
  554    HA2  GLY  75           2HA      GLY  75   6.741   7.275   2.125
  555    HA3  GLY  75           1HA      GLY  75   7.523   6.236   0.928
  556    H    GLY  76           H        GLY  76   6.105   7.693  -0.455
  557    HA2  GLY  76           2HA      GLY  76   3.544   6.302  -1.024
  558    HA3  GLY  76           1HA      GLY  76   3.597   8.066  -0.968
  559    H    GLY  77           H        GLY  77   2.765   7.158  -3.242
  560    HA2  GLY  77           2HA      GLY  77   4.551   7.975  -5.275
  561    HA3  GLY  77           1HA      GLY  77   4.537   6.201  -5.199
  562    H    ARG  78           H        ARG  78   3.453   6.420  -7.400
  563    HA   ARG  78           HA       ARG  78   0.567   6.300  -6.920
  564    HE   ARG  78           HE       ARG  78   2.511   8.835 -12.033
  565    HB2  ARG  78           2HB      ARG  78  -0.079   7.629  -8.789
  566    HB3  ARG  78           3HB      ARG  78   0.996   8.602  -7.793
  567    HG2  ARG  78           2HG      ARG  78   2.869   7.965  -9.445
  568    HG3  ARG  78           3HG      ARG  78   1.574   7.250 -10.442
  569    HD2  ARG  78           2HD      ARG  78   0.403   9.488 -10.402
  570    HD3  ARG  78           3HD      ARG  78   1.804  10.154  -9.541
  571   HH11  ARG  78          1HH1      ARG  78   1.302  11.915 -10.728
  572   HH12  ARG  78          2HH1      ARG  78   1.822  12.840 -12.085
  573   HH21  ARG  78          1HH2      ARG  78   3.148  10.035 -13.828
  574   HH22  ARG  78          2HH2      ARG  78   2.924  11.751 -13.884
  575    H    ILE  79           H        ILE  79  -0.513   5.022  -8.443
  576    HA   ILE  79           HA       ILE  79   1.228   2.947  -9.693
  577    HB   ILE  79           HB       ILE  79  -1.527   2.789  -8.392
  578   HG12  ILE  79          2HG1      ILE  79   1.056   1.324  -7.687
  579   HG13  ILE  79          3HG1      ILE  79   0.478   2.757  -6.858
  580   HG21  ILE  79          1HG2      ILE  79   0.010   0.604  -9.898
  581   HG22  ILE  79          2HG2      ILE  79  -1.509   0.359  -9.010
  582   HG23  ILE  79          3HG2      ILE  79  -1.497   1.374 -10.437
  583   HD11  ILE  79          3HD1      ILE  79  -1.584   1.530  -6.175
  584   HD12  ILE  79          1HD1      ILE  79  -0.905   0.049  -6.892
  585   HD13  ILE  79          2HD1      ILE  79  -0.085   0.831  -5.538
  586    H    SER  80           H        SER  80   0.782   2.590 -11.850
  587    HA   SER  80           HA       SER  80  -1.521   3.990 -13.080
  588    HG   SER  80           HG       SER  80   1.294   6.169 -13.819
  589    HB2  SER  80           2HB      SER  80   1.256   3.940 -14.305
  590    HB3  SER  80           3HB      SER  80  -0.186   4.797 -14.887
  591    H    HIS  81           H        HIS  81  -2.544   2.682 -14.610
  592    HA   HIS  81           HA       HIS  81  -1.774  -0.094 -14.540
  593    HD1  HIS  81           HD1      HIS  81  -3.387  -0.808 -12.924
  594    HD2  HIS  81           HD2      HIS  81  -6.039   1.848 -14.816
  595    HE1  HIS  81           HE1      HIS  81  -5.176  -0.245 -11.213
  596    HB2  HIS  81           2HB      HIS  81  -3.898   1.291 -16.203
  597    HB3  HIS  81           3HB      HIS  81  -3.711  -0.457 -16.029
  598    H    GLN  82           H        GLN  82  -0.752   2.467 -16.594
  599    HA   GLN  82           HA       GLN  82   0.988   0.603 -18.013
  600    HB2  GLN  82           2HB      GLN  82  -0.864   2.567 -19.466
  601    HB3  GLN  82           3HB      GLN  82   0.595   1.876 -20.166
  602    HG2  GLN  82           2HG      GLN  82  -0.428  -0.438 -19.684
  603    HG3  GLN  82           3HG      GLN  82  -1.946   0.413 -19.370
  604   HE21  GLN  82          2HE2      GLN  82   0.673   0.116 -21.812
  605   HE22  GLN  82          1HE2      GLN  82  -0.361   0.311 -23.225
  606    H    SER  83           H        SER  83   2.949   1.603 -18.430
  607    HA   SER  83           HA       SER  83   3.233   4.525 -18.388
  608    HG   SER  83           HG       SER  83   4.029   4.442 -15.034
  609    HB2  SER  83           2HB      SER  83   4.813   2.722 -16.503
  610    HB3  SER  83           3HB      SER  83   5.213   4.405 -16.884
  611    H    GLN  84           H        GLN  84   3.409   4.003 -20.645
  612    HA   GLN  84           HA       GLN  84   4.336   3.374 -22.582
  613    HB2  GLN  84           2HB      GLN  84   6.977   3.842 -21.144
  614    HB3  GLN  84           3HB      GLN  84   6.736   3.764 -22.892
  615    HG2  GLN  84           2HG      GLN  84   5.203   5.728 -22.764
  616    HG3  GLN  84           3HG      GLN  84   5.535   5.859 -21.034
  617   HE21  GLN  84          2HE2      GLN  84   7.750   6.435 -20.341
  618   HE22  GLN  84          1HE2      GLN  84   8.826   7.245 -21.450
  619    H    ASP  85           H        ASP  85   3.543   1.251 -20.875
  620    HA   ASP  85           HA       ASP  85   4.806  -1.002 -22.152
  621    HB2  ASP  85           2HB      ASP  85   6.218  -0.518 -20.020
  622    HB3  ASP  85           3HB      ASP  85   4.784  -0.968 -19.101
  623    H    LYS  86           H        LYS  86   3.401  -2.994 -21.445
  624    HA   LYS  86           HA       LYS  86   0.563  -2.141 -21.295
  625    HB2  LYS  86           2HB      LYS  86   1.869  -4.869 -21.688
  626    HB3  LYS  86           3HB      LYS  86   0.125  -4.578 -21.615
  627    HG2  LYS  86           2HG      LYS  86   0.285  -3.061 -23.580
  628    HG3  LYS  86           3HG      LYS  86   2.023  -3.401 -23.695
  629    HD2  LYS  86           2HD      LYS  86   1.532  -5.809 -24.042
  630    HD3  LYS  86           3HD      LYS  86  -0.210  -5.466 -23.936
  631    HE2  LYS  86           2HE      LYS  86  -0.021  -3.937 -25.889
  632    HE3  LYS  86           3HE      LYS  86   1.710  -4.281 -25.995
  633    HZ1  LYS  86           3HZ      LYS  86   1.153  -6.597 -26.462
  634    HZ2  LYS  86           1HZ      LYS  86  -0.448  -6.278 -26.364
  635    HZ3  LYS  86           2HZ      LYS  86   0.446  -5.617 -27.552
  636    H    LYS  87           H        LYS  87   3.124  -3.496 -19.232
  637    HA   LYS  87           HA       LYS  87   1.256  -4.596 -17.277
  638    HB2  LYS  87           2HB      LYS  87   4.232  -4.313 -17.535
  639    HB3  LYS  87           3HB      LYS  87   3.620  -4.195 -15.903
  640    HG2  LYS  87           2HG      LYS  87   4.157  -6.431 -16.211
  641    HG3  LYS  87           3HG      LYS  87   2.405  -6.344 -16.165
  642    HD2  LYS  87           2HD      LYS  87   3.982  -6.456 -18.770
  643    HD3  LYS  87           3HD      LYS  87   3.550  -7.911 -17.892
  644    HE2  LYS  87           2HE      LYS  87   1.545  -5.907 -19.011
  645    HE3  LYS  87           3HE      LYS  87   2.024  -7.420 -19.771
  646    HZ1  LYS  87           3HZ      LYS  87   1.134  -8.583 -17.797
  647    HZ2  LYS  87           1HZ      LYS  87   0.576  -7.180 -17.176
  648    HZ3  LYS  87           2HZ      LYS  87  -0.008  -7.739 -18.593
  649    H    ILE  88           H        ILE  88   0.946  -3.912 -15.189
  650    HA   ILE  88           HA       ILE  88   0.433  -1.122 -14.714
  651    HB   ILE  88           HB       ILE  88   0.666  -3.519 -12.839
  652   HG12  ILE  88          2HG1      ILE  88  -1.780  -2.292 -14.194
  653   HG13  ILE  88          3HG1      ILE  88  -1.056  -3.850 -14.572
  654   HG21  ILE  88          1HG2      ILE  88  -0.667  -0.818 -12.332
  655   HG22  ILE  88          2HG2      ILE  88  -0.630  -2.204 -11.214
  656   HG23  ILE  88          3HG2      ILE  88   0.853  -1.369 -11.600
  657   HD11  ILE  88          3HD1      ILE  88  -1.559  -4.607 -12.226
  658   HD12  ILE  88          1HD1      ILE  88  -2.533  -3.124 -12.034
  659   HD13  ILE  88          2HD1      ILE  88  -2.952  -4.302 -13.286
  660    H    HIS  89           H        HIS  89   1.654   0.302 -13.367
  661    HA   HIS  89           HA       HIS  89   4.456  -0.486 -12.810
  662    HD1  HIS  89           HD1      HIS  89   6.667  -0.195 -14.574
  663    HD2  HIS  89           HD2      HIS  89   5.675   3.645 -13.153
  664    HE1  HIS  89           HE1      HIS  89   8.876   1.039 -14.214
  665    HB2  HIS  89           2HB      HIS  89   4.099   0.778 -15.025
  666    HB3  HIS  89           3HB      HIS  89   3.639   2.161 -14.029
  667    H    VAL  90           H        VAL  90   5.437   0.811 -11.149
  668    HA   VAL  90           HA       VAL  90   3.640   2.518  -9.504
  669    HB   VAL  90           HB       VAL  90   5.627   0.498  -8.389
  670   HG11  VAL  90          1HG1      VAL  90   3.294   1.992  -7.081
  671   HG12  VAL  90          2HG1      VAL  90   4.450   0.917  -6.263
  672   HG13  VAL  90          3HG1      VAL  90   4.994   2.454  -6.955
  673   HG21  VAL  90          3HG2      VAL  90   2.625   0.092  -8.726
  674   HG22  VAL  90          1HG2      VAL  90   3.927  -0.885  -9.425
  675   HG23  VAL  90          2HG2      VAL  90   3.676  -0.893  -7.680
  676    H    TYR  91           H        TYR  91   4.686   4.442  -8.992
  677    HA   TYR  91           HA       TYR  91   7.527   4.727  -8.801
  678    HD1  TYR  91           HD2      TYR  91   4.301   5.816 -10.615
  679    HD2  TYR  91           HD1      TYR  91   7.744   6.658 -13.090
  680    HE1  TYR  91           HE2      TYR  91   2.876   6.986 -12.185
  681    HE2  TYR  91           HE1      TYR  91   6.299   7.891 -14.668
  682    HH   TYR  91           HH       TYR  91   4.109   8.502 -15.205
  683    HB2  TYR  91           2HB      TYR  91   8.007   6.017 -10.727
  684    HB3  TYR  91           3HB      TYR  91   7.384   4.494 -11.270
  685    H    GLY  92           H        GLY  92   7.696   7.509  -9.309
  686    HA2  GLY  92           2HA      GLY  92   6.977   9.571  -8.619
  687    HA3  GLY  92           1HA      GLY  92   5.405   8.891  -8.156
  688    H    TYR  93           H        TYR  93   5.906  10.479  -6.335
  689    HA   TYR  93           HA       TYR  93   6.895   9.034  -4.015
  690    HD1  TYR  93           HD2      TYR  93   7.909  13.260  -4.021
  691    HD2  TYR  93           HD1      TYR  93   9.429  10.489  -6.963
  692    HE1  TYR  93           HE2      TYR  93   8.442  15.152  -5.524
  693    HE2  TYR  93           HE1      TYR  93   9.953  12.369  -8.476
  694    HH   TYR  93           HH       TYR  93   9.918  14.681  -8.772
  695    HB2  TYR  93           2HB      TYR  93   8.526  10.885  -3.436
  696    HB3  TYR  93           3HB      TYR  93   9.024   9.782  -4.693
  697    H    SER  94           H        SER  94   6.406  10.111  -2.049
  698    HA   SER  94           HA       SER  94   4.259  12.154  -2.154
  699    HG   SER  94           HG       SER  94   3.797  12.556   0.442
  700    HB2  SER  94           2HB      SER  94   3.831  10.420  -0.575
  701    HB3  SER  94           3HB      SER  94   5.515  10.346  -0.065
  702    H    MET  95           H        MET  95   4.691  14.133  -0.674
  703    HA   MET  95           HA       MET  95   7.602  14.874  -0.787
  704    HB2  MET  95           2HB      MET  95   6.958  17.188  -0.647
  705    HB3  MET  95           3HB      MET  95   6.325  16.421  -2.106
  706    HG2  MET  95           2HG      MET  95   4.104  16.307  -1.161
  707    HG3  MET  95           3HG      MET  95   4.676  16.805   0.420
  708    HE1  MET  95           3HE      MET  95   5.615  18.387  -3.182
  709    HE2  MET  95           1HE      MET  95   3.906  17.897  -3.267
  710    HE3  MET  95           2HE      MET  95   4.343  19.620  -3.278
  711    H    ALA  96           H        ALA  96   4.677  14.505   1.282
  712    HA   ALA  96           HA       ALA  96   6.083  15.459   3.651
  713    HB1  ALA  96           3HB      ALA  96   3.674  15.522   3.611
  714    HB2  ALA  96           1HB      ALA  96   3.581  13.777   3.285
  715    HB3  ALA  96           2HB      ALA  96   4.179  14.361   4.853
  716    H    TYR  97           H        TYR  97   5.840  12.346   1.974
  717    HA   TYR  97           HA       TYR  97   7.456  11.057   4.127
  718    HD1  TYR  97           HD1      TYR  97   5.777  10.253   6.130
  719    HD2  TYR  97           HD2      TYR  97   3.300  11.147   2.710
  720    HE1  TYR  97           HE1      TYR  97   4.012  11.112   7.636
  721    HE2  TYR  97           HE2      TYR  97   1.512  11.916   4.198
  722    HH   TYR  97           HH       TYR  97   1.868  12.035   7.777
  723    HB2  TYR  97           2HB      TYR  97   5.284   9.791   2.435
  724    HB3  TYR  97           3HB      TYR  97   6.096   9.097   3.826
  725    H    GLY  98           H        GLY  98   7.667  11.928   0.853
  726    HA2  GLY  98           2HA      GLY  98   9.372  11.470  -0.624
  727    HA3  GLY  98           1HA      GLY  98  10.079  10.390   0.574
  728    HA   PRO  99           HA       PRO  99   8.367   7.705  -2.872
  729    HB2  PRO  99           2HB      PRO  99  10.731   6.459  -3.537
  730    HB3  PRO  99           3HB      PRO  99  10.164   7.953  -4.317
  731    HG2  PRO  99           2HG      PRO  99  12.171   7.649  -2.077
  732    HG3  PRO  99           3HG      PRO  99  12.266   8.709  -3.517
  733    HD2  PRO  99           2HD      PRO  99  11.484   9.607  -1.045
  734    HD3  PRO  99           3HD      PRO  99  10.821  10.293  -2.557
  735    H    ALA 100           H        ALA 100   7.787   5.611  -2.408
  736    HA   ALA 100           HA       ALA 100   8.563   4.349   0.115
  737    HB1  ALA 100           3HB      ALA 100   6.283   4.136  -0.876
  738    HB2  ALA 100           1HB      ALA 100   7.003   3.382  -2.309
  739    HB3  ALA 100           2HB      ALA 100   7.066   2.550  -0.737
  740    H    GLN 101           H        GLN 101   9.231   1.885  -0.128
  741    HA   GLN 101           HA       GLN 101  11.736   1.646  -1.512
  742    HB2  GLN 101           2HB      GLN 101   9.862  -0.527  -0.464
  743    HB3  GLN 101           3HB      GLN 101  11.520  -0.785  -0.996
  744    HG2  GLN 101           2HG      GLN 101  10.644   0.846   1.419
  745    HG3  GLN 101           3HG      GLN 101  11.407  -0.743   1.412
  746   HE21  GLN 101          2HE2      GLN 101  13.689  -0.902   0.569
  747   HE22  GLN 101          1HE2      GLN 101  14.728   0.489   0.727
  748    H    HIS 102           H        HIS 102   8.427   1.075  -2.489
  749    HA   HIS 102           HA       HIS 102   7.357   0.355  -4.236
  750    HD1  HIS 102           HD1      HIS 102   9.885   3.844  -5.500
  751    HD2  HIS 102           HD2      HIS 102   6.090   2.157  -4.846
  752    HE1  HIS 102           HE1      HIS 102   8.315   5.767  -4.895
  753    HB2  HIS 102           2HB      HIS 102   9.803   1.223  -5.734
  754    HB3  HIS 102           3HB      HIS 102   8.270   0.764  -6.486
  755    H    ALA 103           H        ALA 103  10.439  -1.318  -3.936
  756    HA   ALA 103           HA       ALA 103   9.825  -3.589  -5.525
  757    HB1  ALA 103           3HB      ALA 103  12.071  -3.118  -4.598
  758    HB2  ALA 103           1HB      ALA 103  11.458  -3.338  -2.941
  759    HB3  ALA 103           2HB      ALA 103  11.508  -4.715  -4.065
  760    H    ILE 104           H        ILE 104   9.113  -2.837  -2.091
  761    HA   ILE 104           HA       ILE 104   7.875  -5.306  -1.425
  762    HB   ILE 104           HB       ILE 104   7.376  -2.505  -0.311
  763   HG12  ILE 104          2HG1      ILE 104   9.326  -4.657   0.639
  764   HG13  ILE 104          3HG1      ILE 104   9.777  -3.178  -0.209
  765   HG21  ILE 104          1HG2      ILE 104   6.842  -5.243   0.928
  766   HG22  ILE 104          2HG2      ILE 104   6.570  -3.677   1.719
  767   HG23  ILE 104          3HG2      ILE 104   5.609  -4.110   0.317
  768   HD11  ILE 104          3HD1      ILE 104   8.824  -1.825   1.659
  769   HD12  ILE 104          1HD1      ILE 104   8.599  -3.336   2.580
  770   HD13  ILE 104          2HD1      ILE 104  10.220  -2.831   2.097
  771    H    SER 105           H        SER 105   6.550  -2.222  -2.779
  772    HA   SER 105           HA       SER 105   3.861  -2.900  -2.770
  773    HG   SER 105           HG       SER 105   5.252   0.449  -3.383
  774    HB2  SER 105           2HB      SER 105   5.028  -1.238  -4.998
  775    HB3  SER 105           3HB      SER 105   3.602  -0.945  -3.990
  776    H    THR 106           H        THR 106   6.309  -3.257  -5.473
  777    HA   THR 106           HA       THR 106   4.339  -4.244  -7.249
  778    HB   THR 106           HB       THR 106   6.341  -5.056  -8.575
  779    HG1  THR 106           1HG      THR 106   8.314  -4.748  -7.800
  780   HG21  THR 106          3HG2      THR 106   5.248  -2.831  -8.817
  781   HG22  THR 106          1HG2      THR 106   6.409  -2.149  -7.662
  782   HG23  THR 106          2HG2      THR 106   6.970  -2.814  -9.216
  783    H    GLU 107           H        GLU 107   6.677  -6.066  -5.133
  784    HA   GLU 107           HA       GLU 107   5.939  -8.593  -6.126
  785    HB2  GLU 107           2HB      GLU 107   6.855  -7.748  -3.351
  786    HB3  GLU 107           3HB      GLU 107   6.669  -9.433  -3.838
  787    HG2  GLU 107           2HG      GLU 107   8.539  -7.424  -5.169
  788    HG3  GLU 107           3HG      GLU 107   9.015  -8.655  -4.009
  789    H    LYS 108           H        LYS 108   4.304  -6.643  -3.587
  790    HA   LYS 108           HA       LYS 108   2.373  -8.719  -2.975
  791    HB2  LYS 108           2HB      LYS 108   2.408  -5.712  -2.500
  792    HB3  LYS 108           3HB      LYS 108   1.144  -6.789  -1.889
  793    HG2  LYS 108           2HG      LYS 108   2.674  -8.018  -0.510
  794    HG3  LYS 108           3HG      LYS 108   4.078  -7.237  -1.249
  795    HD2  LYS 108           2HD      LYS 108   3.292  -5.038  -0.389
  796    HD3  LYS 108           3HD      LYS 108   1.991  -5.849   0.502
  797    HE2  LYS 108           2HE      LYS 108   4.871  -6.772   0.794
  798    HE3  LYS 108           3HE      LYS 108   4.365  -5.290   1.596
  799    HZ1  LYS 108           3HZ      LYS 108   2.738  -6.489   2.825
  800    HZ2  LYS 108           1HZ      LYS 108   3.024  -7.892   2.064
  801    HZ3  LYS 108           2HZ      LYS 108   4.211  -7.178   3.024
  802    H    ILE 109           H        ILE 109   2.285  -5.844  -5.179
  803    HA   ILE 109           HA       ILE 109  -0.443  -6.284  -5.945
  804    HB   ILE 109           HB       ILE 109   1.777  -4.817  -7.415
  805   HG12  ILE 109          2HG1      ILE 109  -0.491  -3.561  -5.797
  806   HG13  ILE 109          3HG1      ILE 109   1.022  -3.982  -5.034
  807   HG21  ILE 109          1HG2      ILE 109  -1.263  -4.558  -7.765
  808   HG22  ILE 109          2HG2      ILE 109  -0.013  -3.700  -8.688
  809   HG23  ILE 109          3HG2      ILE 109  -0.225  -5.434  -8.890
  810   HD11  ILE 109          3HD1      ILE 109   2.261  -2.551  -6.659
  811   HD12  ILE 109          1HD1      ILE 109   0.708  -2.030  -7.353
  812   HD13  ILE 109          2HD1      ILE 109   1.101  -1.648  -5.672
  813    H    LYS 110           H        LYS 110   2.667  -7.458  -7.385
  814    HA   LYS 110           HA       LYS 110   1.581  -8.834  -9.616
  815    HB2  LYS 110           2HB      LYS 110   3.929  -9.579  -7.813
  816    HB3  LYS 110           3HB      LYS 110   3.568 -10.372  -9.342
  817    HG2  LYS 110           2HG      LYS 110   4.100  -8.421 -10.616
  818    HG3  LYS 110           3HG      LYS 110   4.277  -7.423  -9.189
  819    HD2  LYS 110           2HD      LYS 110   6.091  -9.023  -8.398
  820    HD3  LYS 110           3HD      LYS 110   5.993  -9.819  -9.976
  821    HE2  LYS 110           2HE      LYS 110   6.672  -7.708 -11.084
  822    HE3  LYS 110           3HE      LYS 110   6.653  -6.876  -9.524
  823    HZ1  LYS 110           3HZ      LYS 110   8.403  -8.438  -8.780
  824    HZ2  LYS 110           1HZ      LYS 110   8.487  -9.067 -10.290
  825    HZ3  LYS 110           2HZ      LYS 110   8.890  -7.505 -10.048
  826    H    ALA 111           H        ALA 111   1.991  -9.893  -6.189
  827    HA   ALA 111           HA       ALA 111   1.142 -12.554  -6.646
  828    HB1  ALA 111           3HB      ALA 111   2.397 -11.845  -4.645
  829    HB2  ALA 111           1HB      ALA 111   0.998 -10.901  -4.083
  830    HB3  ALA 111           2HB      ALA 111   0.889 -12.667  -4.201
  831    H    LYS 112           H        LYS 112  -0.758  -9.680  -5.495
  832    HA   LYS 112           HA       LYS 112  -3.138 -11.415  -5.367
  833    HB2  LYS 112           2HB      LYS 112  -2.637  -8.550  -4.479
  834    HB3  LYS 112           3HB      LYS 112  -4.205  -9.362  -4.386
  835    HG2  LYS 112           2HG      LYS 112  -3.078 -11.222  -3.051
  836    HG3  LYS 112           3HG      LYS 112  -1.630 -10.221  -3.002
  837    HD2  LYS 112           2HD      LYS 112  -2.864  -9.978  -0.927
  838    HD3  LYS 112           3HD      LYS 112  -2.854  -8.457  -1.808
  839    HE2  LYS 112           2HE      LYS 112  -5.048  -8.784  -0.838
  840    HE3  LYS 112           3HE      LYS 112  -5.185  -8.880  -2.588
  841    HZ1  LYS 112           3HZ      LYS 112  -5.267 -11.309  -2.377
  842    HZ2  LYS 112           1HZ      LYS 112  -5.104 -11.216  -0.752
  843    HZ3  LYS 112           2HZ      LYS 112  -6.437 -10.628  -1.477
  844    H    TYR 113           H        TYR 113  -2.109  -8.657  -7.454
  845    HA   TYR 113           HA       TYR 113  -4.833  -8.160  -8.236
  846    HD1  TYR 113           HD2      TYR 113  -5.244  -5.570  -7.915
  847    HD2  TYR 113           HD1      TYR 113  -3.397  -6.401 -11.720
  848    HE1  TYR 113           HE2      TYR 113  -6.942  -4.160  -9.040
  849    HE2  TYR 113           HE1      TYR 113  -5.133  -5.048 -12.864
  850    HH   TYR 113           HH       TYR 113  -7.020  -3.710 -12.606
  851    HB2  TYR 113           2HB      TYR 113  -2.875  -6.503  -8.151
  852    HB3  TYR 113           3HB      TYR 113  -2.357  -7.185  -9.691
  853    HA   PRO 114           HA       PRO 114  -5.373 -11.188 -11.440
  854    HB2  PRO 114           2HB      PRO 114  -6.484  -8.889 -13.072
  855    HB3  PRO 114           3HB      PRO 114  -7.118 -10.559 -12.905
  856    HG2  PRO 114           2HG      PRO 114  -8.203  -8.564 -11.440
  857    HG3  PRO 114           3HG      PRO 114  -7.834 -10.136 -10.656
  858    HD2  PRO 114           2HD      PRO 114  -6.263  -7.570 -10.567
  859    HD3  PRO 114           3HD      PRO 114  -6.614  -8.726  -9.250
  860    H    ASP 115           H        ASP 115  -3.838  -8.102 -12.497
  861    HA   ASP 115           HA       ASP 115  -2.391  -9.497 -14.672
  862    HB2  ASP 115           2HB      ASP 115  -2.939  -7.123 -15.025
  863    HB3  ASP 115           3HB      ASP 115  -1.970  -6.679 -13.615
  864    H    TYR 116           H        TYR 116  -1.131 -11.041 -13.795
  865    HA   TYR 116           HA       TYR 116  -0.029 -10.847 -11.184
  866    HD1  TYR 116           HD1      TYR 116  -1.284 -12.526 -10.091
  867    HD2  TYR 116           HD2      TYR 116  -1.317 -14.075 -14.122
  868    HE1  TYR 116           HE1      TYR 116  -3.517 -13.498  -9.689
  869    HE2  TYR 116           HE2      TYR 116  -3.555 -15.056 -13.728
  870    HH   TYR 116           HH       TYR 116  -5.285 -14.727 -10.590
  871    HB2  TYR 116           2HB      TYR 116   0.565 -12.856 -13.383
  872    HB3  TYR 116           3HB      TYR 116   0.921 -13.060 -11.673
  873    H    GLU 117           H        GLU 117   1.097  -9.030 -13.661
  874    HA   GLU 117           HA       GLU 117   3.822  -9.153 -12.554
  875    HB2  GLU 117           2HB      GLU 117   3.716 -10.382 -14.768
  876    HB3  GLU 117           3HB      GLU 117   3.397  -8.815 -15.531
  877    HG2  GLU 117           2HG      GLU 117   5.526  -7.938 -14.630
  878    HG3  GLU 117           3HG      GLU 117   5.764  -9.410 -13.688
  879    H    VAL 118           H        VAL 118   4.888  -7.113 -12.533
  880    HA   VAL 118           HA       VAL 118   3.456  -4.659 -13.137
  881    HB   VAL 118           HB       VAL 118   4.221  -5.313 -10.254
  882   HG11  VAL 118          1HG1      VAL 118   2.431  -3.119 -11.365
  883   HG12  VAL 118          2HG1      VAL 118   2.858  -3.357  -9.663
  884   HG13  VAL 118          3HG1      VAL 118   4.098  -2.894 -10.831
  885   HG21  VAL 118          3HG2      VAL 118   1.367  -5.389 -11.317
  886   HG22  VAL 118          1HG2      VAL 118   2.293  -6.795 -10.754
  887   HG23  VAL 118          2HG2      VAL 118   1.896  -5.527  -9.625
  888    H    THR 119           H        THR 119   5.087  -2.875 -12.973
  889    HA   THR 119           HA       THR 119   7.854  -3.728 -12.246
  890    HB   THR 119           HB       THR 119   8.572  -2.174 -14.137
  891    HG1  THR 119           1HG      THR 119   6.899  -2.119 -15.837
  892   HG21  THR 119          3HG2      THR 119   8.676  -4.642 -14.280
  893   HG22  THR 119          1HG2      THR 119   7.030  -4.674 -14.957
  894   HG23  THR 119          2HG2      THR 119   8.354  -3.887 -15.849
  895    H    TRP 120           H        TRP 120   9.293  -1.734 -11.881
  896    HA   TRP 120           HA       TRP 120   7.852   0.676 -11.175
  897    HD1  TRP 120           HD1      TRP 120   9.322  -2.823  -8.881
  898    HE1  TRP 120           HE1      TRP 120  11.546  -3.276  -7.726
  899    HE3  TRP 120           HE3      TRP 120  10.931   2.039  -8.288
  900    HZ2  TRP 120           HZ2      TRP 120  13.745  -1.738  -6.638
  901    HZ3  TRP 120           HZ3      TRP 120  13.098   2.478  -7.192
  902    HH2  TRP 120           HH2      TRP 120  14.509   0.618  -6.359
  903    HB2  TRP 120           2HB      TRP 120   8.688   0.947  -8.959
  904    HB3  TRP 120           3HB      TRP 120   7.787  -0.550  -9.014
  905    H    ALA 121           H        ALA 121   9.344   2.461 -10.790
  906    HA   ALA 121           HA       ALA 121  12.202   2.114 -11.144
  907    HB1  ALA 121           3HB      ALA 121  11.497   2.340 -13.528
  908    HB2  ALA 121           1HB      ALA 121  10.562   3.797 -13.118
  909    HB3  ALA 121           2HB      ALA 121  12.332   3.806 -12.977
  910    H    ASN 122           H        ASN 122  13.204   3.897 -10.016
  911    HA   ASN 122           HA       ASN 122  11.298   5.574  -8.543
  912    HB2  ASN 122           2HB      ASN 122  13.024   4.748  -7.158
  913    HB3  ASN 122           3HB      ASN 122  14.293   5.339  -8.251
  914   HD21  ASN 122          2HD2      ASN 122  11.252   7.049  -7.071
  915   HD22  ASN 122          1HD2      ASN 122  12.140   8.357  -6.355
  916    H    ASP 123           H        ASP 123  10.509   6.552 -10.440
  917    HA   ASP 123           HA       ASP 123  11.817   9.102 -11.039
  918    HB2  ASP 123           2HB      ASP 123  12.331   7.448 -12.953
  919    HB3  ASP 123           3HB      ASP 123  10.602   7.445 -13.288
  920    H    GLY 124           H        GLY 124   9.484   9.870 -12.774
  921    HA2  GLY 124           2HA      GLY 124   7.159   9.921 -12.774
  922    HA3  GLY 124           1HA      GLY 124   7.126   8.965 -11.290
  923    H    TYR 125           H        TYR 125   5.365  10.543 -10.917
  924    HA   TYR 125           HA       TYR 125   4.387  12.419 -10.139
  925    HD1  TYR 125           HD1      TYR 125   3.128  12.379  -7.467
  926    HD2  TYR 125           HD2      TYR 125   6.644  14.864  -7.776
  927    HE1  TYR 125           HE1      TYR 125   1.950  14.189  -6.258
  928    HE2  TYR 125           HE2      TYR 125   5.479  16.675  -6.561
  929    HH   TYR 125           HH       TYR 125   2.090  16.356  -5.405
  930    HB2  TYR 125           2HB      TYR 125   5.312  11.429  -8.084
  931    HB3  TYR 125           3HB      TYR 125   6.748  12.432  -8.243
  Start of MODEL   17
    1    HA   MET   1           HA       MET   1 -14.203  -7.156  22.816
    2    H1   MET   1           H1       MET   1 -16.503  -8.490  21.911
    3    H2   MET   1           H2       MET   1 -16.308  -6.919  22.335
    4    H3   MET   1           H3       MET   1 -16.680  -8.039  23.474
    5    HB2  MET   1           2HB      MET   1 -14.872  -8.094  25.003
    6    HB3  MET   1           3HB      MET   1 -14.940  -9.716  24.304
    7    HG2  MET   1           2HG      MET   1 -12.870  -9.350  25.541
    8    HG3  MET   1           3HG      MET   1 -12.530  -9.645  23.841
    9    HE1  MET   1           3HE      MET   1 -10.485  -8.544  26.012
   10    HE2  MET   1           1HE      MET   1 -10.025  -8.829  24.317
   11    HE3  MET   1           2HE      MET   1  -9.635  -7.281  25.099
   12    H    ALA   2           H        ALA   2 -12.755  -7.614  21.212
   13    HA   ALA   2           HA       ALA   2 -12.444 -10.288  20.131
   14    HB1  ALA   2           3HB      ALA   2 -14.287  -9.435  18.688
   15    HB2  ALA   2           1HB      ALA   2 -13.335  -7.975  18.330
   16    HB3  ALA   2           2HB      ALA   2 -12.779  -9.566  17.772
   17    H    VAL   3           H        VAL   3 -10.555 -10.228  18.551
   18    HA   VAL   3           HA       VAL   3  -8.765  -7.906  18.793
   19    HB   VAL   3           HB       VAL   3  -7.779 -10.733  19.387
   20   HG11  VAL   3          1HG1      VAL   3  -6.511  -7.984  19.798
   21   HG12  VAL   3          2HG1      VAL   3  -5.779  -9.545  20.227
   22   HG13  VAL   3          3HG1      VAL   3  -6.091  -9.152  18.538
   23   HG21  VAL   3          3HG2      VAL   3  -8.448  -8.601  21.451
   24   HG22  VAL   3          1HG2      VAL   3  -9.194 -10.206  21.298
   25   HG23  VAL   3          2HG2      VAL   3  -7.503 -10.069  21.767
   26    H    ALA   4           H        ALA   4  -7.746  -7.603  16.817
   27    HA   ALA   4           HA       ALA   4  -8.351  -9.402  14.578
   28    HB1  ALA   4           3HB      ALA   4  -8.363  -6.932  14.308
   29    HB2  ALA   4           1HB      ALA   4  -6.635  -6.881  14.730
   30    HB3  ALA   4           2HB      ALA   4  -7.171  -7.703  13.254
   31    H    ASP   5           H        ASP   5  -6.209  -9.665  13.063
   32    HA   ASP   5           HA       ASP   5  -3.745 -10.135  14.521
   33    HB2  ASP   5           2HB      ASP   5  -4.851 -12.342  14.800
   34    HB3  ASP   5           3HB      ASP   5  -5.125 -12.433  13.059
   35    H    LEU   6           H        LEU   6  -1.984 -10.010  13.029
   36    HA   LEU   6           HA       LEU   6  -2.377  -8.329  10.840
   37    HG   LEU   6           HG       LEU   6  -0.350  -8.451  13.223
   38    HB2  LEU   6           2HB      LEU   6  -0.075 -10.213  11.491
   39    HB3  LEU   6           3HB      LEU   6  -0.019  -8.984  10.244
   40   HD11  LEU   6          1HD1      LEU   6   1.991  -8.030  11.319
   41   HD12  LEU   6          2HD1      LEU   6   1.935  -7.471  12.989
   42   HD13  LEU   6          3HD1      LEU   6   1.896  -9.209  12.636
   43   HD21  LEU   6          3HD2      LEU   6  -0.099  -6.487  10.899
   44   HD22  LEU   6          1HD2      LEU   6  -1.486  -6.674  12.002
   45   HD23  LEU   6          2HD2      LEU   6   0.040  -6.063  12.622
   46    H    ALA   7           H        ALA   7  -2.379 -11.917  10.859
   47    HA   ALA   7           HA       ALA   7  -2.015 -12.206   8.056
   48    HB1  ALA   7           3HB      ALA   7  -1.674 -14.036   9.683
   49    HB2  ALA   7           1HB      ALA   7  -3.421 -14.051  10.031
   50    HB3  ALA   7           2HB      ALA   7  -2.829 -14.497   8.419
   51    H    LEU   8           H        LEU   8  -4.829 -11.276   9.958
   52    HA   LEU   8           HA       LEU   8  -6.801 -12.117   7.960
   53    HG   LEU   8           HG       LEU   8  -6.476 -12.555  11.116
   54    HB2  LEU   8           2HB      LEU   8  -7.076 -10.254  10.357
   55    HB3  LEU   8           3HB      LEU   8  -8.397 -10.915   9.407
   56   HD11  LEU   8          1HD1      LEU   8  -9.397 -11.812  11.567
   57   HD12  LEU   8          2HD1      LEU   8  -8.407 -12.864  12.604
   58   HD13  LEU   8          3HD1      LEU   8  -8.004 -11.150  12.446
   59   HD21  LEU   8          3HD2      LEU   8  -8.964 -13.412   9.571
   60   HD22  LEU   8          1HD2      LEU   8  -7.288 -13.908   9.238
   61   HD23  LEU   8          2HD2      LEU   8  -8.072 -14.420  10.732
   62    H    ILE   9           H        ILE   9  -4.810  -9.284   8.557
   63    HA   ILE   9           HA       ILE   9  -6.590  -7.354   7.454
   64    HB   ILE   9           HB       ILE   9  -3.571  -7.187   7.673
   65   HG12  ILE   9          2HG1      ILE   9  -5.697  -6.634   9.778
   66   HG13  ILE   9          3HG1      ILE   9  -4.410  -7.846   9.834
   67   HG21  ILE   9          1HG2      ILE   9  -5.697  -5.018   7.606
   68   HG22  ILE   9          2HG2      ILE   9  -3.944  -4.747   7.792
   69   HG23  ILE   9          3HG2      ILE   9  -4.558  -5.419   6.299
   70   HD11  ILE   9          3HD1      ILE   9  -2.717  -6.001   9.866
   71   HD12  ILE   9          1HD1      ILE   9  -4.070  -4.856  10.072
   72   HD13  ILE   9          2HD1      ILE   9  -3.778  -6.096  11.291
   73    HA   PRO  10           HA       PRO  10  -5.964  -8.265   3.027
   74    HB2  PRO  10           2HB      PRO  10  -6.532  -5.296   2.932
   75    HB3  PRO  10           3HB      PRO  10  -7.128  -6.586   1.840
   76    HG2  PRO  10           2HG      PRO  10  -8.724  -5.621   3.802
   77    HG3  PRO  10           3HG      PRO  10  -8.634  -7.393   3.526
   78    HD2  PRO  10           2HD      PRO  10  -7.242  -5.746   5.645
   79    HD3  PRO  10           3HD      PRO  10  -8.043  -7.339   5.788
   80    H    ASP  11           H        ASP  11  -3.931  -8.490   2.258
   81    HA   ASP  11           HA       ASP  11  -1.750  -6.895   3.232
   82    HB2  ASP  11           2HB      ASP  11  -1.749  -9.362   2.569
   83    HB3  ASP  11           3HB      ASP  11  -1.709  -8.827   0.885
   84    H    VAL  12           H        VAL  12  -3.728  -6.831   0.332
   85    HA   VAL  12           HA       VAL  12  -2.573  -4.253  -0.471
   86    HB   VAL  12           HB       VAL  12  -3.070  -6.570  -2.387
   87   HG11  VAL  12          1HG1      VAL  12  -2.043  -3.755  -2.954
   88   HG12  VAL  12          2HG1      VAL  12  -2.143  -5.076  -4.138
   89   HG13  VAL  12          3HG1      VAL  12  -3.618  -4.416  -3.433
   90   HG21  VAL  12          3HG2      VAL  12  -0.423  -5.352  -1.552
   91   HG22  VAL  12          1HG2      VAL  12  -0.971  -7.019  -1.291
   92   HG23  VAL  12          2HG2      VAL  12  -0.654  -6.453  -2.929
   93    H    ASP  13           H        ASP  13  -4.329  -2.893  -0.829
   94    HA   ASP  13           HA       ASP  13  -6.769  -3.980  -2.001
   95    HB2  ASP  13           2HB      ASP  13  -7.322  -4.260   0.374
   96    HB3  ASP  13           3HB      ASP  13  -6.890  -2.582   0.700
   97    H    ILE  14           H        ILE  14  -6.956  -2.630  -3.704
   98    HA   ILE  14           HA       ILE  14  -6.281   0.223  -3.405
   99    HB   ILE  14           HB       ILE  14  -4.866   0.118  -5.430
  100   HG12  ILE  14          2HG1      ILE  14  -5.005  -2.922  -5.163
  101   HG13  ILE  14          3HG1      ILE  14  -5.768  -1.967  -6.435
  102   HG21  ILE  14          1HG2      ILE  14  -3.756  -1.718  -3.267
  103   HG22  ILE  14          2HG2      ILE  14  -2.847  -0.657  -4.364
  104   HG23  ILE  14          3HG2      ILE  14  -3.886   0.043  -3.130
  105   HD11  ILE  14          3HD1      ILE  14  -3.492  -1.153  -7.130
  106   HD12  ILE  14          1HD1      ILE  14  -2.782  -2.304  -5.970
  107   HD13  ILE  14          2HD1      ILE  14  -3.751  -2.898  -7.325
  108    H    ASP  15           H        ASP  15  -6.963   1.486  -5.259
  109    HA   ASP  15           HA       ASP  15  -9.048   0.227  -6.978
  110    HB2  ASP  15           2HB      ASP  15 -10.222   1.453  -5.225
  111    HB3  ASP  15           3HB      ASP  15  -9.306   2.918  -5.598
  112    H    SER  16           H        SER  16  -6.846   0.048  -8.054
  113    HA   SER  16           HA       SER  16  -5.646   2.285  -9.363
  114    HG   SER  16           HG       SER  16  -4.889  -1.705  -9.548
  115    HB2  SER  16           2HB      SER  16  -4.613   0.256 -10.658
  116    HB3  SER  16           3HB      SER  16  -4.279   0.459  -8.935
  117    H    ASP  17           H        ASP  17  -8.640   1.796  -9.748
  118    HA   ASP  17           HA       ASP  17  -9.250   1.214 -12.485
  119    HB2  ASP  17           2HB      ASP  17 -10.922   1.132 -10.756
  120    HB3  ASP  17           3HB      ASP  17 -10.565   2.787 -10.255
  121    H    GLY  18           H        GLY  18  -7.656   3.891 -10.967
  122    HA2  GLY  18           2HA      GLY  18  -7.390   5.217 -13.565
  123    HA3  GLY  18           1HA      GLY  18  -7.956   6.223 -12.215
  124    H    VAL  19           H        VAL  19  -5.522   6.788 -13.407
  125    HA   VAL  19           HA       VAL  19  -3.323   5.479 -12.041
  126    HB   VAL  19           HB       VAL  19  -3.315   8.024 -13.719
  127   HG11  VAL  19          1HG1      VAL  19  -1.099   6.031 -13.071
  128   HG12  VAL  19          2HG1      VAL  19  -0.939   7.487 -14.084
  129   HG13  VAL  19          3HG1      VAL  19  -1.262   7.631 -12.354
  130   HG21  VAL  19          3HG2      VAL  19  -2.901   5.140 -14.627
  131   HG22  VAL  19          1HG2      VAL  19  -4.247   6.201 -15.091
  132   HG23  VAL  19          2HG2      VAL  19  -2.612   6.591 -15.611
  133    H    PHE  20           H        PHE  20  -3.609   5.769  -9.819
  134    HA   PHE  20           HA       PHE  20  -3.581   8.549  -8.763
  135    HD1  PHE  20           HD2      PHE  20  -5.629   9.967  -7.080
  136    HD2  PHE  20           HD1      PHE  20  -6.796   7.531 -10.440
  137    HE1  PHE  20           HE2      PHE  20  -6.958  11.849  -7.991
  138    HE2  PHE  20           HE1      PHE  20  -8.132   9.416 -11.346
  139    HZ   PHE  20           HZ       PHE  20  -8.215  11.581 -10.121
  140    HB2  PHE  20           2HB      PHE  20  -5.756   6.508  -8.424
  141    HB3  PHE  20           3HB      PHE  20  -5.349   7.519  -7.053
  142    H    LYS  21           H        LYS  21  -3.388   8.557  -6.341
  143    HA   LYS  21           HA       LYS  21  -0.748   7.618  -5.918
  144    HB2  LYS  21           2HB      LYS  21  -2.612   8.739  -3.802
  145    HB3  LYS  21           3HB      LYS  21  -0.861   8.813  -3.866
  146    HG2  LYS  21           2HG      LYS  21  -2.791  10.351  -5.647
  147    HG3  LYS  21           3HG      LYS  21  -1.842  10.988  -4.308
  148    HD2  LYS  21           2HD      LYS  21   0.256  10.538  -5.546
  149    HD3  LYS  21           3HD      LYS  21  -0.661   9.809  -6.861
  150    HE2  LYS  21           2HE      LYS  21  -0.044  12.042  -7.507
  151    HE3  LYS  21           3HE      LYS  21  -1.796  11.953  -7.321
  152    HZ1  LYS  21           3HZ      LYS  21  -1.615  13.125  -5.236
  153    HZ2  LYS  21           1HZ      LYS  21   0.035  13.074  -5.270
  154    HZ3  LYS  21           2HZ      LYS  21  -0.792  13.961  -6.358
  155    H    TYR  22           H        TYR  22   0.074   6.354  -4.163
  156    HA   TYR  22           HA       TYR  22  -1.747   4.730  -2.593
  157    HD1  TYR  22           HD1      TYR  22   1.541   4.161  -5.363
  158    HD2  TYR  22           HD2      TYR  22   0.333   1.566  -2.147
  159    HE1  TYR  22           HE1      TYR  22   3.916   3.664  -4.874
  160    HE2  TYR  22           HE2      TYR  22   2.702   1.048  -1.655
  161    HH   TYR  22           HH       TYR  22   5.351   2.751  -3.337
  162    HB2  TYR  22           2HB      TYR  22  -1.281   2.681  -3.446
  163    HB3  TYR  22           3HB      TYR  22  -0.907   3.553  -4.917
  164    H    VAL  23           H        VAL  23  -0.476   3.678  -0.774
  165    HA   VAL  23           HA       VAL  23   2.211   4.832  -0.320
  166    HB   VAL  23           HB       VAL  23   1.642   5.086   2.107
  167   HG11  VAL  23          1HG1      VAL  23   0.147   6.916   0.200
  168   HG12  VAL  23          2HG1      VAL  23   0.599   7.297   1.877
  169   HG13  VAL  23          3HG1      VAL  23   1.858   7.035   0.664
  170   HG21  VAL  23          3HG2      VAL  23  -1.235   4.857   1.136
  171   HG22  VAL  23          1HG2      VAL  23  -0.409   3.755   2.237
  172   HG23  VAL  23          2HG2      VAL  23  -0.730   5.430   2.736
  173    H    LEU  24           H        LEU  24   3.506   3.631   1.115
  174    HA   LEU  24           HA       LEU  24   2.830   0.725   1.250
  175    HG   LEU  24           HG       LEU  24   6.528  -0.011   0.713
  176    HB2  LEU  24           2HB      LEU  24   4.832   1.569  -0.164
  177    HB3  LEU  24           3HB      LEU  24   5.576   2.052   1.342
  178   HD11  LEU  24          1HD1      LEU  24   4.479  -0.947   2.756
  179   HD12  LEU  24          2HD1      LEU  24   6.134  -1.522   2.500
  180   HD13  LEU  24          3HD1      LEU  24   5.863   0.098   3.160
  181   HD21  LEU  24          3HD2      LEU  24   3.755  -1.219   0.429
  182   HD22  LEU  24          1HD2      LEU  24   4.796  -0.669  -0.908
  183   HD23  LEU  24          2HD2      LEU  24   5.313  -2.011   0.103
  184    H    ILE  25           H        ILE  25   2.254   0.240   3.371
  185    HA   ILE  25           HA       ILE  25   3.303   2.014   5.547
  186    HB   ILE  25           HB       ILE  25   0.527   0.867   5.118
  187   HG12  ILE  25          2HG1      ILE  25   1.532   3.712   5.590
  188   HG13  ILE  25          3HG1      ILE  25   1.106   3.046   4.014
  189   HG21  ILE  25          1HG2      ILE  25   1.632   2.192   7.636
  190   HG22  ILE  25          2HG2      ILE  25  -0.072   1.748   7.362
  191   HG23  ILE  25          3HG2      ILE  25   1.132   0.493   7.485
  192   HD11  ILE  25          3HD1      ILE  25  -1.232   2.699   4.825
  193   HD12  ILE  25          1HD1      ILE  25  -0.797   3.554   6.335
  194   HD13  ILE  25          2HD1      ILE  25  -0.719   4.393   4.791
  195    H    ARG  26           H        ARG  26   4.414   1.028   7.065
  196    HA   ARG  26           HA       ARG  26   4.479  -1.935   7.174
  197    HE   ARG  26           HE       ARG  26   8.279  -2.537   7.094
  198    HB2  ARG  26           2HB      ARG  26   6.582  -0.527   7.331
  199    HB3  ARG  26           3HB      ARG  26   5.995   0.112   8.865
  200    HG2  ARG  26           2HG      ARG  26   6.041  -2.071   9.900
  201    HG3  ARG  26           3HG      ARG  26   6.291  -2.895   8.362
  202    HD2  ARG  26           2HD      ARG  26   8.287  -0.951   9.582
  203    HD3  ARG  26           3HD      ARG  26   8.337  -2.710   9.808
  204   HH11  ARG  26          1HH2      ARG  26  10.426  -0.978   9.477
  205   HH12  ARG  26          2HH2      ARG  26  11.775  -0.952   8.405
  206   HH21  ARG  26          1HH1      ARG  26   9.942  -2.529   5.765
  207   HH22  ARG  26          2HH1      ARG  26  11.519  -1.880   6.189
  208    H    VAL  27           H        VAL  27   3.687  -2.998   9.006
  209    HA   VAL  27           HA       VAL  27   1.883  -1.496  10.824
  210    HB   VAL  27           HB       VAL  27   1.361  -4.199   9.532
  211   HG11  VAL  27          1HG1      VAL  27  -0.540  -2.329  10.991
  212   HG12  VAL  27          2HG1      VAL  27  -0.951  -3.907  10.290
  213   HG13  VAL  27          3HG1      VAL  27   0.165  -3.815  11.656
  214   HG21  VAL  27          3HG2      VAL  27   0.157  -1.575   8.601
  215   HG22  VAL  27          1HG2      VAL  27   1.264  -2.620   7.677
  216   HG23  VAL  27          2HG2      VAL  27  -0.345  -3.203   8.082
  217    H    HIS  28           H        HIS  28   1.986  -2.323  12.927
  218    HA   HIS  28           HA       HIS  28   3.811  -4.619  13.497
  219    HD1  HIS  28           HD1      HIS  28   6.495  -3.917  13.386
  220    HD2  HIS  28           HD2      HIS  28   4.652  -0.132  13.564
  221    HE1  HIS  28           HE1      HIS  28   8.029  -2.310  12.140
  222    HB2  HIS  28           2HB      HIS  28   3.514  -1.982  15.001
  223    HB3  HIS  28           3HB      HIS  28   4.548  -3.333  15.463
  224    H    SER  29           H        SER  29   2.918  -6.062  14.904
  225    HA   SER  29           HA       SER  29   0.110  -5.970  15.302
  226    HG   SER  29           HG       SER  29   0.175  -9.242  16.151
  227    HB2  SER  29           2HB      SER  29   1.733  -8.017  15.101
  228    HB3  SER  29           3HB      SER  29   1.927  -7.831  16.851
  229    H    ALA  30           H        ALA  30  -0.930  -4.860  16.725
  230    HA   ALA  30           HA       ALA  30  -0.310  -4.980  19.540
  231    HB1  ALA  30           3HB      ALA  30   0.938  -2.930  18.922
  232    HB2  ALA  30           1HB      ALA  30  -0.518  -2.255  18.165
  233    HB3  ALA  30           2HB      ALA  30  -0.469  -2.531  19.918
  234    HA   PRO  31           HA       PRO  31  -4.655  -4.376  17.611
  235    HB2  PRO  31           2HB      PRO  31  -5.806  -6.886  17.515
  236    HB3  PRO  31           3HB      PRO  31  -4.906  -6.109  16.178
  237    HG2  PRO  31           2HG      PRO  31  -3.871  -8.111  18.192
  238    HG3  PRO  31           3HG      PRO  31  -3.623  -8.086  16.420
  239    HD2  PRO  31           2HD      PRO  31  -1.736  -7.120  18.114
  240    HD3  PRO  31           3HD      PRO  31  -2.089  -6.351  16.541
  241    H    ARG  32           H        ARG  32  -6.692  -4.455  18.733
  242    HA   ARG  32           HA       ARG  32  -7.854  -3.898  20.535
  243    HE   ARG  32           HE       ARG  32 -11.074  -5.129  24.023
  244    HB2  ARG  32           2HB      ARG  32  -8.130  -6.302  20.658
  245    HB3  ARG  32           3HB      ARG  32  -6.682  -6.478  21.643
  246    HG2  ARG  32           2HG      ARG  32  -8.815  -6.744  22.873
  247    HG3  ARG  32           3HG      ARG  32  -7.733  -5.551  23.555
  248    HD2  ARG  32           2HD      ARG  32  -9.133  -3.751  22.370
  249    HD3  ARG  32           3HD      ARG  32 -10.238  -5.042  21.892
  250   HH11  ARG  32          1HH2      ARG  32  -7.994  -3.326  24.169
  251   HH12  ARG  32          2HH2      ARG  32  -8.283  -2.718  25.763
  252   HH21  ARG  32          1HH1      ARG  32 -11.416  -4.344  26.154
  253   HH22  ARG  32          2HH1      ARG  32 -10.247  -3.341  26.922
  254    H    SER  33           H        SER  33  -4.745  -3.214  20.424
  255    HA   SER  33           HA       SER  33  -3.193  -2.189  21.610
  256    HG   SER  33           HG       SER  33  -5.414   0.615  21.686
  257    HB2  SER  33           2HB      SER  33  -5.466  -1.046  23.274
  258    HB3  SER  33           3HB      SER  33  -3.847  -0.363  23.050
  259    H    GLY  34           H        GLY  34  -3.864  -4.919  22.355
  260    HA2  GLY  34           2HA      GLY  34  -2.569  -5.028  24.983
  261    HA3  GLY  34           1HA      GLY  34  -4.276  -5.488  24.982
  262    H    ALA  35           H        ALA  35  -3.269  -6.550  21.965
  263    HA   ALA  35           HA       ALA  35  -3.129  -9.273  22.686
  264    HB1  ALA  35           3HB      ALA  35  -3.685  -8.449  20.434
  265    HB2  ALA  35           1HB      ALA  35  -2.019  -7.857  20.227
  266    HB3  ALA  35           2HB      ALA  35  -2.335  -9.600  20.364
  267    HA   PRO  36           HA       PRO  36   1.134  -9.510  24.047
  268    HB2  PRO  36           2HB      PRO  36   1.608 -12.198  23.970
  269    HB3  PRO  36           3HB      PRO  36   0.469 -11.450  25.130
  270    HG2  PRO  36           2HG      PRO  36  -0.180 -12.769  22.473
  271    HG3  PRO  36           3HG      PRO  36  -0.954 -13.051  24.066
  272    HD2  PRO  36           2HD      PRO  36  -2.020 -11.350  22.211
  273    HD3  PRO  36           3HD      PRO  36  -2.126 -11.012  23.965
  274    H    ALA  37           H        ALA  37   0.181 -10.564  20.846
  275    HA   ALA  37           HA       ALA  37   2.686 -11.406  19.801
  276    HB1  ALA  37           3HB      ALA  37   0.520 -11.860  18.705
  277    HB2  ALA  37           1HB      ALA  37   0.293 -10.119  18.407
  278    HB3  ALA  37           2HB      ALA  37   1.612 -11.000  17.605
  279    H    ALA  38           H        ALA  38   4.184 -10.310  18.474
  280    HA   ALA  38           HA       ALA  38   4.100  -7.375  18.253
  281    HB1  ALA  38           3HB      ALA  38   5.261  -7.855  20.418
  282    HB2  ALA  38           1HB      ALA  38   6.417  -8.895  19.552
  283    HB3  ALA  38           2HB      ALA  38   6.361  -7.148  19.225
  284    H    GLU  39           H        GLU  39   3.754  -9.576  16.407
  285    HA   GLU  39           HA       GLU  39   6.121  -9.690  14.712
  286    HB2  GLU  39           2HB      GLU  39   3.192 -10.409  14.225
  287    HB3  GLU  39           3HB      GLU  39   4.496 -10.733  13.085
  288    HG2  GLU  39           2HG      GLU  39   4.221 -11.925  15.878
  289    HG3  GLU  39           3HG      GLU  39   3.876 -12.735  14.360
  290    H    SER  40           H        SER  40   5.679  -8.954  12.272
  291    HA   SER  40           HA       SER  40   4.274  -6.359  12.156
  292    HG   SER  40           HG       SER  40   7.800  -5.794  12.955
  293    HB2  SER  40           2HB      SER  40   7.123  -6.764  11.203
  294    HB3  SER  40           3HB      SER  40   6.185  -5.276  11.082
  295    H    LYS  41           H        LYS  41   4.068  -5.614   9.907
  296    HA   LYS  41           HA       LYS  41   3.983  -7.635   7.760
  297    HB2  LYS  41           2HB      LYS  41   1.923  -7.969   9.138
  298    HB3  LYS  41           3HB      LYS  41   1.552  -6.263   8.999
  299    HG2  LYS  41           2HG      LYS  41   1.454  -6.872   6.378
  300    HG3  LYS  41           3HG      LYS  41   1.224  -8.504   7.027
  301    HD2  LYS  41           2HD      LYS  41  -0.714  -7.636   8.370
  302    HD3  LYS  41           3HD      LYS  41  -0.407  -6.025   7.721
  303    HE2  LYS  41           2HE      LYS  41  -2.098  -6.761   6.350
  304    HE3  LYS  41           3HE      LYS  41  -0.658  -7.054   5.378
  305    HZ1  LYS  41           3HZ      LYS  41  -0.810  -9.368   5.808
  306    HZ2  LYS  41           1HZ      LYS  41  -1.905  -9.178   7.029
  307    HZ3  LYS  41           2HZ      LYS  41  -2.365  -8.905   5.495
  308    H    GLU  42           H        GLU  42   3.234  -6.351   5.689
  309    HA   GLU  42           HA       GLU  42   3.536  -3.430   5.900
  310    HB2  GLU  42           2HB      GLU  42   5.157  -5.234   4.046
  311    HB3  GLU  42           3HB      GLU  42   5.036  -3.475   3.875
  312    HG2  GLU  42           2HG      GLU  42   6.066  -3.138   6.060
  313    HG3  GLU  42           3HG      GLU  42   6.145  -4.878   6.353
  314    H    ILE  43           H        ILE  43   2.131  -2.425   4.397
  315    HA   ILE  43           HA       ILE  43   0.550  -4.220   2.648
  316    HB   ILE  43           HB       ILE  43  -1.521  -3.158   3.393
  317   HG12  ILE  43          2HG1      ILE  43   0.103  -1.843   5.612
  318   HG13  ILE  43          3HG1      ILE  43  -0.638  -1.009   4.247
  319   HG21  ILE  43          1HG2      ILE  43  -0.060  -4.382   5.758
  320   HG22  ILE  43          2HG2      ILE  43  -1.799  -4.469   5.374
  321   HG23  ILE  43          3HG2      ILE  43  -0.623  -5.292   4.340
  322   HD11  ILE  43          3HD1      ILE  43  -2.893  -1.683   5.043
  323   HD12  ILE  43          1HD1      ILE  43  -2.163  -2.484   6.450
  324   HD13  ILE  43          2HD1      ILE  43  -2.003  -0.743   6.252
  325    H    VAL  44           H        VAL  44  -0.669  -3.181   1.031
  326    HA   VAL  44           HA       VAL  44   0.503  -0.610   0.041
  327    HB   VAL  44           HB       VAL  44  -0.403  -3.131  -1.416
  328   HG11  VAL  44          1HG1      VAL  44   0.868  -0.674  -2.662
  329   HG12  VAL  44          2HG1      VAL  44   0.325  -2.140  -3.486
  330   HG13  VAL  44          3HG1      VAL  44  -0.867  -1.068  -2.756
  331   HG21  VAL  44          3HG2      VAL  44   2.400  -1.976  -1.235
  332   HG22  VAL  44          1HG2      VAL  44   1.831  -3.419  -0.365
  333   HG23  VAL  44          2HG2      VAL  44   1.907  -3.425  -2.130
  334    H    ARG  45           H        ARG  45  -1.095   0.959   0.038
  335    HA   ARG  45           HA       ARG  45  -3.875   0.165  -0.661
  336    HE   ARG  45           HE       ARG  45  -4.147  -2.898   2.505
  337    HB2  ARG  45           2HB      ARG  45  -3.114   2.016   1.640
  338    HB3  ARG  45           3HB      ARG  45  -4.752   1.723   1.075
  339    HG2  ARG  45           2HG      ARG  45  -2.919  -0.282   2.453
  340    HG3  ARG  45           3HG      ARG  45  -4.323   0.536   3.143
  341    HD2  ARG  45           2HD      ARG  45  -5.845  -0.660   1.671
  342    HD3  ARG  45           3HD      ARG  45  -4.514  -1.399   0.815
  343   HH11  ARG  45          1HH1      ARG  45  -6.603  -0.563   3.569
  344   HH12  ARG  45          2HH1      ARG  45  -7.060  -1.461   4.964
  345   HH21  ARG  45          1HH2      ARG  45  -4.790  -4.131   4.308
  346   HH22  ARG  45          2HH2      ARG  45  -5.972  -3.508   5.420
  347    H    GLY  46           H        GLY  46  -4.947   1.789  -1.910
  348    HA2  GLY  46           2HA      GLY  46  -4.038   4.458  -2.211
  349    HA3  GLY  46           1HA      GLY  46  -3.316   3.453  -3.482
  350    H    TYR  47           H        TYR  47  -5.568   5.599  -3.405
  351    HA   TYR  47           HA       TYR  47  -7.513   4.118  -5.052
  352    HD1  TYR  47           HD1      TYR  47  -6.868   4.792  -0.983
  353    HD2  TYR  47           HD2      TYR  47  -9.520   2.169  -3.134
  354    HE1  TYR  47           HE1      TYR  47  -6.600   3.089   0.789
  355    HE2  TYR  47           HE2      TYR  47  -9.243   0.439  -1.379
  356    HH   TYR  47           HH       TYR  47  -7.353   1.080   1.614
  357    HB2  TYR  47           2HB      TYR  47  -8.490   5.646  -2.622
  358    HB3  TYR  47           3HB      TYR  47  -9.410   4.573  -3.654
  359    H    LYS  48           H        LYS  48  -9.108   5.599  -6.041
  360    HA   LYS  48           HA       LYS  48  -7.906   7.948  -7.010
  361    HB2  LYS  48           2HB      LYS  48 -10.861   7.233  -7.001
  362    HB3  LYS  48           3HB      LYS  48 -10.090   8.477  -7.994
  363    HG2  LYS  48           2HG      LYS  48  -8.602   6.622  -8.960
  364    HG3  LYS  48           3HG      LYS  48  -9.670   5.465  -8.183
  365    HD2  LYS  48           2HD      LYS  48 -10.455   7.564 -10.246
  366    HD3  LYS  48           3HD      LYS  48 -10.267   5.845 -10.568
  367    HE2  LYS  48           2HE      LYS  48 -12.304   6.946  -8.575
  368    HE3  LYS  48           3HE      LYS  48 -12.653   6.748 -10.291
  369    HZ1  LYS  48           3HZ      LYS  48 -12.290   4.426 -10.126
  370    HZ2  LYS  48           1HZ      LYS  48 -11.834   4.507  -8.522
  371    HZ3  LYS  48           2HZ      LYS  48 -13.369   4.852  -8.975
  372    H    TRP  49           H        TRP  49 -10.085   7.597  -4.184
  373    HA   TRP  49           HA       TRP  49 -10.572  10.414  -3.995
  374    HD1  TRP  49           HD1      TRP  49 -12.681   6.713  -2.895
  375    HE1  TRP  49           HE1      TRP  49 -12.024   4.705  -1.474
  376    HE3  TRP  49           HE3      TRP  49  -8.883   8.847  -0.178
  377    HZ2  TRP  49           HZ2      TRP  49 -10.068   4.075   0.577
  378    HZ3  TRP  49           HZ3      TRP  49  -7.551   7.473   1.370
  379    HH2  TRP  49           HH2      TRP  49  -8.094   5.064   1.719
  380    HB2  TRP  49           2HB      TRP  49 -11.269   9.838  -1.619
  381    HB3  TRP  49           3HB      TRP  49 -12.168   9.168  -2.956
  382    H    ALA  50           H        ALA  50  -7.737   8.519  -3.040
  383    HA   ALA  50           HA       ALA  50  -6.819  10.656  -1.241
  384    HB1  ALA  50           3HB      ALA  50  -6.302   8.418  -0.577
  385    HB2  ALA  50           1HB      ALA  50  -5.487   8.083  -2.135
  386    HB3  ALA  50           2HB      ALA  50  -4.827   9.294  -1.003
  387    H    GLU  51           H        GLU  51  -6.987  12.330  -2.862
  388    HA   GLU  51           HA       GLU  51  -5.253  12.413  -5.154
  389    HB2  GLU  51           2HB      GLU  51  -6.478  14.621  -3.448
  390    HB3  GLU  51           3HB      GLU  51  -5.599  14.895  -4.959
  391    HG2  GLU  51           2HG      GLU  51  -7.241  13.446  -6.157
  392    HG3  GLU  51           3HG      GLU  51  -8.154  13.258  -4.658
  393    H    TYR  52           H        TYR  52  -4.564  12.579  -1.748
  394    HA   TYR  52           HA       TYR  52  -1.782  13.421  -2.262
  395    HD1  TYR  52           HD1      TYR  52  -4.718  15.718  -2.085
  396    HD2  TYR  52           HD2      TYR  52  -3.703  14.204   1.802
  397    HE1  TYR  52           HE1      TYR  52  -6.985  16.361  -1.262
  398    HE2  TYR  52           HE2      TYR  52  -5.946  14.838   2.658
  399    HH   TYR  52           HH       TYR  52  -8.426  16.406   0.572
  400    HB2  TYR  52           2HB      TYR  52  -2.000  14.525   0.096
  401    HB3  TYR  52           3HB      TYR  52  -2.382  15.390  -1.375
  402    H    HIS  53           H        HIS  53  -0.285  12.524  -0.529
  403    HA   HIS  53           HA       HIS  53  -1.075   9.713  -0.224
  404    HD2  HIS  53           HD2      HIS  53   1.046   8.005  -1.604
  405    HE1  HIS  53           HE1      HIS  53   2.459  10.935  -4.344
  406    HE2  HIS  53           HE2      HIS  53   1.875   8.463  -4.038
  407    HB2  HIS  53           2HB      HIS  53   1.499  11.213   0.442
  408    HB3  HIS  53           3HB      HIS  53   1.262   9.489   0.611
  409    H    ALA  54           H        ALA  54  -0.516  12.614   1.759
  410    HA   ALA  54           HA       ALA  54  -0.745  11.471   4.308
  411    HB1  ALA  54           3HB      ALA  54  -0.272  13.863   3.916
  412    HB2  ALA  54           1HB      ALA  54  -1.944  14.111   3.363
  413    HB3  ALA  54           2HB      ALA  54  -1.623  13.652   5.045
  414    H    ASP  55           H        ASP  55  -3.367  11.740   1.884
  415    HA   ASP  55           HA       ASP  55  -5.523  11.572   3.790
  416    HB2  ASP  55           2HB      ASP  55  -5.754  12.224   1.308
  417    HB3  ASP  55           3HB      ASP  55  -5.608  10.532   0.927
  418    H    ILE  56           H        ILE  56  -3.956   9.114   1.674
  419    HA   ILE  56           HA       ILE  56  -5.364   6.948   2.892
  420    HB   ILE  56           HB       ILE  56  -3.205   5.683   1.844
  421   HG12  ILE  56          2HG1      ILE  56  -3.355   8.266   0.270
  422   HG13  ILE  56          3HG1      ILE  56  -1.962   7.434   0.965
  423   HG21  ILE  56          1HG2      ILE  56  -5.659   6.475   0.298
  424   HG22  ILE  56          2HG2      ILE  56  -4.640   5.033   0.067
  425   HG23  ILE  56          3HG2      ILE  56  -5.562   5.210   1.548
  426   HD11  ILE  56          3HD1      ILE  56  -2.365   5.609  -0.731
  427   HD12  ILE  56          1HD1      ILE  56  -3.644   6.617  -1.454
  428   HD13  ILE  56          2HD1      ILE  56  -1.965   7.190  -1.443
  429    H    TYR  57           H        TYR  57  -2.190   8.490   3.664
  430    HA   TYR  57           HA       TYR  57  -1.481   6.399   5.467
  431    HD1  TYR  57           HD1      TYR  57   0.287   5.850   6.677
  432    HD2  TYR  57           HD2      TYR  57   0.227  10.056   7.647
  433    HE1  TYR  57           HE1      TYR  57   1.298   5.341   8.854
  434    HE2  TYR  57           HE2      TYR  57   1.260   9.559   9.839
  435    HH   TYR  57           HH       TYR  57   2.046   6.218  10.909
  436    HB2  TYR  57           2HB      TYR  57   0.183   8.064   4.858
  437    HB3  TYR  57           3HB      TYR  57  -0.768   9.342   5.621
  438    H    ASP  58           H        ASP  58  -3.294   9.498   6.111
  439    HA   ASP  58           HA       ASP  58  -3.766   8.936   8.839
  440    HB2  ASP  58           2HB      ASP  58  -4.096  11.153   7.884
  441    HB3  ASP  58           3HB      ASP  58  -5.395  10.555   6.846
  442    H    LYS  59           H        LYS  59  -5.728   8.144   5.954
  443    HA   LYS  59           HA       LYS  59  -7.984   7.017   7.255
  444    HB2  LYS  59           2HB      LYS  59  -7.730   7.638   4.804
  445    HB3  LYS  59           3HB      LYS  59  -6.654   6.273   4.601
  446    HG2  LYS  59           2HG      LYS  59  -8.553   5.299   3.837
  447    HG3  LYS  59           3HG      LYS  59  -8.685   4.852   5.509
  448    HD2  LYS  59           2HD      LYS  59 -10.812   5.571   4.939
  449    HD3  LYS  59           3HD      LYS  59 -10.180   6.954   5.821
  450    HE2  LYS  59           2HE      LYS  59 -10.199   6.713   2.761
  451    HE3  LYS  59           3HE      LYS  59 -11.554   7.339   3.685
  452    HZ1  LYS  59           3HZ      LYS  59 -10.019   9.091   4.535
  453    HZ2  LYS  59           1HZ      LYS  59  -8.908   8.643   3.388
  454    HZ3  LYS  59           2HZ      LYS  59 -10.350   9.165   2.945
  455    H    VAL  60           H        VAL  60  -5.039   5.361   5.949
  456    HA   VAL  60           HA       VAL  60  -6.059   2.819   6.849
  457    HB   VAL  60           HB       VAL  60  -3.406   3.637   5.615
  458   HG11  VAL  60          1HG1      VAL  60  -4.600   0.850   6.013
  459   HG12  VAL  60          2HG1      VAL  60  -3.136   1.230   5.075
  460   HG13  VAL  60          3HG1      VAL  60  -3.154   1.486   6.820
  461   HG21  VAL  60          3HG2      VAL  60  -5.832   2.275   4.353
  462   HG22  VAL  60          1HG2      VAL  60  -5.460   3.995   4.173
  463   HG23  VAL  60          2HG2      VAL  60  -4.335   2.812   3.543
  464    H    SER  61           H        SER  61  -3.408   5.045   8.099
  465    HA   SER  61           HA       SER  61  -2.690   3.157  10.140
  466    HG   SER  61           HG       SER  61  -1.638   7.073  10.190
  467    HB2  SER  61           2HB      SER  61  -1.439   4.906  11.147
  468    HB3  SER  61           3HB      SER  61  -1.245   5.053   9.395
  469    H    GLY  62           H        GLY  62  -5.230   5.652   9.858
  470    HA2  GLY  62           2HA      GLY  62  -6.203   5.605  12.510
  471    HA3  GLY  62           1HA      GLY  62  -7.150   5.917  11.039
  472    H    ASP  63           H        ASP  63  -7.181   3.550   9.648
  473    HA   ASP  63           HA       ASP  63  -8.968   1.934  11.136
  474    HB2  ASP  63           2HB      ASP  63  -8.924   2.014   8.669
  475    HB3  ASP  63           3HB      ASP  63  -7.398   1.122   8.672
  476    H    MET  64           H        MET  64  -5.484   1.416  10.408
  477    HA   MET  64           HA       MET  64  -5.245  -1.101  11.703
  478    HB2  MET  64           2HB      MET  64  -3.185   1.129  11.442
  479    HB3  MET  64           3HB      MET  64  -2.831  -0.522  11.914
  480    HG2  MET  64           2HG      MET  64  -4.075   0.201   9.232
  481    HG3  MET  64           3HG      MET  64  -2.374  -0.052   9.481
  482    HE1  MET  64           3HE      MET  64  -5.899  -1.579   9.592
  483    HE2  MET  64           1HE      MET  64  -5.218  -1.474   7.936
  484    HE3  MET  64           2HE      MET  64  -5.572  -3.056   8.665
  485    H    GLN  65           H        GLN  65  -4.805   2.226  13.078
  486    HA   GLN  65           HA       GLN  65  -4.284   1.260  15.708
  487    HB2  GLN  65           2HB      GLN  65  -5.107   3.919  14.517
  488    HB3  GLN  65           3HB      GLN  65  -4.885   3.720  16.258
  489    HG2  GLN  65           2HG      GLN  65  -2.552   3.072  15.967
  490    HG3  GLN  65           3HG      GLN  65  -2.710   3.053  14.210
  491   HE21  GLN  65          2HE2      GLN  65  -3.389   5.140  13.175
  492   HE22  GLN  65          1HE2      GLN  65  -2.735   6.638  13.827
  493    H    LYS  66           H        LYS  66  -7.355   1.962  14.012
  494    HA   LYS  66           HA       LYS  66  -8.969   1.705  16.402
  495    HB2  LYS  66           2HB      LYS  66  -9.566   1.491  13.435
  496    HB3  LYS  66           3HB      LYS  66 -10.786   1.126  14.663
  497    HG2  LYS  66           2HG      LYS  66 -10.524   3.343  15.669
  498    HG3  LYS  66           3HG      LYS  66  -9.277   3.779  14.508
  499    HD2  LYS  66           2HD      LYS  66 -12.163   3.102  13.794
  500    HD3  LYS  66           3HD      LYS  66 -11.533   4.736  14.033
  501    HE2  LYS  66           2HE      LYS  66  -9.918   4.393  12.155
  502    HE3  LYS  66           3HE      LYS  66 -10.597   2.781  11.890
  503    HZ1  LYS  66           3HZ      LYS  66 -12.727   3.829  11.388
  504    HZ2  LYS  66           1HZ      LYS  66 -12.104   5.318  11.635
  505    HZ3  LYS  66           2HZ      LYS  66 -11.572   4.407  10.396
  506    H    GLN  67           H        GLN  67  -7.679  -0.723  14.007
  507    HA   GLN  67           HA       GLN  67  -8.862  -2.937  15.464
  508    HB2  GLN  67           2HB      GLN  67  -6.378  -2.899  13.690
  509    HB3  GLN  67           3HB      GLN  67  -7.199  -4.331  14.316
  510    HG2  GLN  67           2HG      GLN  67  -9.267  -3.672  13.067
  511    HG3  GLN  67           3HG      GLN  67  -8.425  -2.265  12.425
  512   HE21  GLN  67          2HE2      GLN  67  -8.082  -2.669  10.205
  513   HE22  GLN  67          1HE2      GLN  67  -7.445  -4.192   9.621
  514    H    GLY  68           H        GLY  68  -5.939  -1.013  15.831
  515    HA2  GLY  68           2HA      GLY  68  -5.360  -0.645  18.246
  516    HA3  GLY  68           1HA      GLY  68  -5.187  -2.394  18.365
  517    H    CYS  69           H        CYS  69  -4.144  -2.247  15.436
  518    HA   CYS  69           HA       CYS  69  -1.402  -2.646  15.982
  519    HG   CYS  69           HG       CYS  69  -2.701  -4.696  12.885
  520    HB2  CYS  69           2HB      CYS  69  -3.011  -2.156  13.443
  521    HB3  CYS  69           3HB      CYS  69  -1.288  -2.538  13.424
  522    H    ASP  70           H        ASP  70   0.423  -1.522  15.159
  523    HA   ASP  70           HA       ASP  70   0.146   1.463  15.205
  524    HB2  ASP  70           2HB      ASP  70   1.242   0.631  17.191
  525    HB3  ASP  70           3HB      ASP  70   2.293  -0.417  16.244
  526    H    CYS  71           H        CYS  71   1.451   2.609  13.597
  527    HA   CYS  71           HA       CYS  71   2.523   0.899  11.417
  528    HG   CYS  71           HG       CYS  71  -1.108   1.001   9.964
  529    HB2  CYS  71           2HB      CYS  71   0.192   2.870  11.294
  530    HB3  CYS  71           3HB      CYS  71   1.044   2.309   9.857
  531    H    GLU  72           H        GLU  72   3.608   2.068   9.671
  532    HA   GLU  72           HA       GLU  72   4.092   4.949   9.994
  533    HB2  GLU  72           2HB      GLU  72   5.942   3.871  11.229
  534    HB3  GLU  72           3HB      GLU  72   6.201   2.736   9.904
  535    HG2  GLU  72           2HG      GLU  72   7.917   4.350   9.782
  536    HG3  GLU  72           3HG      GLU  72   6.841   4.635   8.426
  537    H    CYS  73           H        CYS  73   4.002   5.861   7.888
  538    HA   CYS  73           HA       CYS  73   3.791   4.064   5.560
  539    HG   CYS  73           HG       CYS  73   2.844   8.468   5.470
  540    HB2  CYS  73           2HB      CYS  73   3.698   6.298   4.304
  541    HB3  CYS  73           3HB      CYS  73   2.320   5.901   5.316
  542    H    LEU  74           H        LEU  74   5.617   3.254   4.709
  543    HA   LEU  74           HA       LEU  74   8.246   4.299   5.400
  544    HG   LEU  74           HG       LEU  74   6.829   1.281   5.366
  545    HB2  LEU  74           2HB      LEU  74   7.421   2.297   3.253
  546    HB3  LEU  74           3HB      LEU  74   9.058   2.629   3.803
  547   HD11  LEU  74          1HD1      LEU  74   9.615   0.316   4.590
  548   HD12  LEU  74          2HD1      LEU  74   8.314  -0.627   5.349
  549   HD13  LEU  74          3HD1      LEU  74   8.137  -0.061   3.687
  550   HD21  LEU  74          3HD2      LEU  74   9.577   2.131   6.388
  551   HD22  LEU  74          1HD2      LEU  74   7.994   2.671   6.999
  552   HD23  LEU  74          2HD2      LEU  74   8.493   0.995   7.217
  553    H    GLY  75           H        GLY  75   5.881   4.824   2.854
  554    HA2  GLY  75           2HA      GLY  75   6.736   7.284   2.023
  555    HA3  GLY  75           1HA      GLY  75   7.591   6.151   0.959
  556    H    GLY  76           H        GLY  76   6.153   7.229  -0.709
  557    HA2  GLY  76           2HA      GLY  76   3.987   5.363  -1.239
  558    HA3  GLY  76           1HA      GLY  76   3.451   7.049  -1.074
  559    H    GLY  77           H        GLY  77   2.829   6.293  -3.337
  560    HA2  GLY  77           2HA      GLY  77   4.457   7.571  -5.336
  561    HA3  GLY  77           1HA      GLY  77   4.518   5.804  -5.461
  562    H    ARG  78           H        ARG  78   3.287   5.907  -7.471
  563    HA   ARG  78           HA       ARG  78   0.367   6.288  -7.144
  564    HE   ARG  78           HE       ARG  78  -1.870   9.157 -10.557
  565    HB2  ARG  78           2HB      ARG  78   1.466   8.409  -7.889
  566    HB3  ARG  78           3HB      ARG  78   2.177   7.557  -9.268
  567    HG2  ARG  78           2HG      ARG  78  -0.099   7.170 -10.186
  568    HG3  ARG  78           3HG      ARG  78  -0.790   7.952  -8.748
  569    HD2  ARG  78           2HD      ARG  78   0.437  10.047  -9.295
  570    HD3  ARG  78           3HD      ARG  78   1.016   9.284 -10.783
  571   HH11  ARG  78          1HH2      ARG  78   0.738  11.386 -11.482
  572   HH12  ARG  78          2HH2      ARG  78  -0.267  12.320 -12.526
  573   HH21  ARG  78          1HH1      ARG  78  -3.148  10.294 -11.928
  574   HH22  ARG  78          2HH1      ARG  78  -2.568  11.690 -12.789
  575    H    ILE  79           H        ILE  79  -0.793   4.885  -8.552
  576    HA   ILE  79           HA       ILE  79   0.907   2.662  -9.588
  577    HB   ILE  79           HB       ILE  79  -1.812   2.718  -8.246
  578   HG12  ILE  79          2HG1      ILE  79   0.798   1.235  -7.654
  579   HG13  ILE  79          3HG1      ILE  79   0.243   2.688  -6.835
  580   HG21  ILE  79          1HG2      ILE  79  -0.532   0.316  -9.642
  581   HG22  ILE  79          2HG2      ILE  79  -1.992   0.269  -8.637
  582   HG23  ILE  79          3HG2      ILE  79  -2.026   1.142 -10.149
  583   HD11  ILE  79          3HD1      ILE  79  -1.763   1.409  -6.003
  584   HD12  ILE  79          1HD1      ILE  79  -1.039  -0.069  -6.685
  585   HD13  ILE  79          2HD1      ILE  79  -0.200   0.805  -5.411
  586    H    SER  80           H        SER  80   0.318   1.661 -11.460
  587    HA   SER  80           HA       SER  80  -0.088   1.555 -13.658
  588    HG   SER  80           HG       SER  80  -3.557   1.232 -13.125
  589    HB2  SER  80           2HB      SER  80  -2.530   3.289 -13.152
  590    HB3  SER  80           3HB      SER  80  -2.191   2.330 -14.602
  591    H    HIS  81           H        HIS  81  -0.652   3.313 -15.662
  592    HA   HIS  81           HA       HIS  81   0.613   5.868 -15.258
  593    HD1  HIS  81           HD1      HIS  81   4.405   3.035 -16.509
  594    HD2  HIS  81           HD2      HIS  81   0.439   2.707 -17.890
  595    HE1  HIS  81           HE1      HIS  81   4.251   0.822 -17.746
  596    HB2  HIS  81           2HB      HIS  81   2.386   5.449 -17.012
  597    HB3  HIS  81           3HB      HIS  81   2.667   4.751 -15.436
  598    H    GLN  82           H        GLN  82   0.678   7.014 -17.486
  599    HA   GLN  82           HA       GLN  82  -1.939   6.847 -18.585
  600    HB2  GLN  82           2HB      GLN  82  -0.613   8.918 -18.379
  601    HB3  GLN  82           3HB      GLN  82   0.558   8.307 -19.548
  602    HG2  GLN  82           2HG      GLN  82  -0.918   9.964 -20.553
  603    HG3  GLN  82           3HG      GLN  82  -1.117   8.411 -21.340
  604   HE21  GLN  82          2HE2      GLN  82  -3.102   7.174 -20.910
  605   HE22  GLN  82          1HE2      GLN  82  -4.546   8.001 -20.348
  606    H    SER  83           H        SER  83   1.094   5.288 -19.561
  607    HA   SER  83           HA       SER  83   0.639   4.842 -22.253
  608    HG   SER  83           HG       SER  83   3.816   4.179 -20.621
  609    HB2  SER  83           2HB      SER  83   1.945   2.847 -20.378
  610    HB3  SER  83           3HB      SER  83   2.343   3.184 -22.068
  611    H    GLN  84           H        GLN  84  -0.185   3.079 -23.464
  612    HA   GLN  84           HA       GLN  84  -2.692   2.090 -22.443
  613    HB2  GLN  84           2HB      GLN  84  -1.235   1.600 -25.078
  614    HB3  GLN  84           3HB      GLN  84  -2.895   1.106 -24.731
  615    HG2  GLN  84           2HG      GLN  84  -3.525   3.483 -24.331
  616    HG3  GLN  84           3HG      GLN  84  -1.891   3.986 -24.766
  617   HE21  GLN  84          2HE2      GLN  84  -4.996   2.884 -26.016
  618   HE22  GLN  84          1HE2      GLN  84  -4.593   3.032 -27.708
  619    H    ASP  85           H        ASP  85   0.442   0.790 -22.149
  620    HA   ASP  85           HA       ASP  85   0.085  -1.985 -22.543
  621    HB2  ASP  85           2HB      ASP  85   2.245  -0.847 -22.191
  622    HB3  ASP  85           3HB      ASP  85   1.814  -0.523 -20.512
  623    H    LYS  86           H        LYS  86  -1.056  -3.502 -21.441
  624    HA   LYS  86           HA       LYS  86  -2.835  -2.743 -19.313
  625    HB2  LYS  86           2HB      LYS  86  -3.347  -4.449 -21.062
  626    HB3  LYS  86           3HB      LYS  86  -2.092  -5.496 -20.402
  627    HG2  LYS  86           2HG      LYS  86  -4.330  -6.218 -19.739
  628    HG3  LYS  86           3HG      LYS  86  -3.366  -5.795 -18.330
  629    HD2  LYS  86           2HD      LYS  86  -4.546  -3.613 -18.162
  630    HD3  LYS  86           3HD      LYS  86  -5.468  -3.998 -19.634
  631    HE2  LYS  86           2HE      LYS  86  -6.433  -5.981 -18.488
  632    HE3  LYS  86           3HE      LYS  86  -5.500  -5.599 -17.034
  633    HZ1  LYS  86           3HZ      LYS  86  -6.748  -3.523 -16.862
  634    HZ2  LYS  86           1HZ      LYS  86  -7.608  -3.876 -18.207
  635    HZ3  LYS  86           2HZ      LYS  86  -7.768  -4.793 -16.871
  636    H    LYS  87           H        LYS  87   0.479  -3.942 -19.334
  637    HA   LYS  87           HA       LYS  87   0.525  -5.256 -16.814
  638    HB2  LYS  87           2HB      LYS  87   2.345  -5.160 -18.583
  639    HB3  LYS  87           3HB      LYS  87   2.769  -3.545 -17.975
  640    HG2  LYS  87           2HG      LYS  87   3.238  -4.521 -15.750
  641    HG3  LYS  87           3HG      LYS  87   2.750  -6.111 -16.349
  642    HD2  LYS  87           2HD      LYS  87   5.141  -4.482 -17.303
  643    HD3  LYS  87           3HD      LYS  87   5.168  -5.925 -16.283
  644    HE2  LYS  87           2HE      LYS  87   3.970  -7.131 -18.239
  645    HE3  LYS  87           3HE      LYS  87   4.423  -5.730 -19.221
  646    HZ1  LYS  87           3HZ      LYS  87   6.765  -6.225 -18.577
  647    HZ2  LYS  87           1HZ      LYS  87   6.235  -7.590 -17.801
  648    HZ3  LYS  87           2HZ      LYS  87   6.071  -7.440 -19.420
  649    H    ILE  88           H        ILE  88   0.510  -4.499 -14.735
  650    HA   ILE  88           HA       ILE  88  -0.399  -1.766 -14.279
  651    HB   ILE  88           HB       ILE  88   0.349  -3.971 -12.324
  652   HG12  ILE  88          2HG1      ILE  88  -2.420  -3.311 -13.414
  653   HG13  ILE  88          3HG1      ILE  88  -1.460  -4.710 -13.887
  654   HG21  ILE  88          1HG2      ILE  88  -1.408  -1.493 -11.927
  655   HG22  ILE  88          2HG2      ILE  88  -1.091  -2.739 -10.704
  656   HG23  ILE  88          3HG2      ILE  88   0.214  -1.719 -11.238
  657   HD11  ILE  88          3HD1      ILE  88  -1.493  -5.536 -11.534
  658   HD12  ILE  88          1HD1      ILE  88  -2.650  -4.238 -11.142
  659   HD13  ILE  88          2HD1      ILE  88  -3.074  -5.470 -12.333
  660    H    HIS  89           H        HIS  89   0.917  -0.336 -12.686
  661    HA   HIS  89           HA       HIS  89   3.806  -0.831 -12.795
  662    HD1  HIS  89           HD1      HIS  89   5.690  -0.579 -14.748
  663    HD2  HIS  89           HD2      HIS  89   4.781   3.366 -13.554
  664    HE1  HIS  89           HE1      HIS  89   7.873   0.734 -14.848
  665    HB2  HIS  89           2HB      HIS  89   3.005   0.415 -14.919
  666    HB3  HIS  89           3HB      HIS  89   2.704   1.787 -13.853
  667    H    VAL  90           H        VAL  90   4.978   0.817 -11.437
  668    HA   VAL  90           HA       VAL  90   3.288   2.393  -9.616
  669    HB   VAL  90           HB       VAL  90   5.586   0.747  -8.508
  670   HG11  VAL  90          1HG1      VAL  90   3.130   2.050  -7.245
  671   HG12  VAL  90          2HG1      VAL  90   4.392   1.161  -6.373
  672   HG13  VAL  90          3HG1      VAL  90   4.787   2.681  -7.200
  673   HG21  VAL  90          3HG2      VAL  90   2.674  -0.155  -8.496
  674   HG22  VAL  90          1HG2      VAL  90   4.033  -0.977  -9.295
  675   HG23  VAL  90          2HG2      VAL  90   3.994  -0.868  -7.538
  676    H    TYR  91           H        TYR  91   4.258   4.421  -9.282
  677    HA   TYR  91           HA       TYR  91   7.096   4.855  -9.710
  678    HD1  TYR  91           HD2      TYR  91   3.359   5.165 -11.319
  679    HD2  TYR  91           HD1      TYR  91   6.228   8.120 -12.610
  680    HE1  TYR  91           HE2      TYR  91   1.524   6.624 -12.032
  681    HE2  TYR  91           HE1      TYR  91   4.388   9.572 -13.384
  682    HH   TYR  91           HH       TYR  91   2.083   9.799 -13.638
  683    HB2  TYR  91           2HB      TYR  91   7.020   6.203 -11.609
  684    HB3  TYR  91           3HB      TYR  91   6.125   4.782 -12.065
  685    H    GLY  92           H        GLY  92   7.110   7.636  -9.888
  686    HA2  GLY  92           2HA      GLY  92   6.592   9.591  -8.853
  687    HA3  GLY  92           1HA      GLY  92   5.058   8.892  -8.320
  688    H    TYR  93           H        TYR  93   5.821  10.390  -6.473
  689    HA   TYR  93           HA       TYR  93   6.697   8.744  -4.279
  690    HD1  TYR  93           HD2      TYR  93   8.288  12.806  -4.198
  691    HD2  TYR  93           HD1      TYR  93   9.475   9.864  -7.122
  692    HE1  TYR  93           HE2      TYR  93   9.247  14.600  -5.608
  693    HE2  TYR  93           HE1      TYR  93  10.447  11.645  -8.533
  694    HH   TYR  93           HH       TYR  93  10.891  13.921  -8.736
  695    HB2  TYR  93           2HB      TYR  93   8.556  10.341  -3.626
  696    HB3  TYR  93           3HB      TYR  93   8.883   9.198  -4.903
  697    H    SER  94           H        SER  94   6.230   9.703  -2.264
  698    HA   SER  94           HA       SER  94   4.327  11.938  -2.227
  699    HG   SER  94           HG       SER  94   3.967  12.329   0.376
  700    HB2  SER  94           2HB      SER  94   3.926  10.204  -0.635
  701    HB3  SER  94           3HB      SER  94   5.625  10.090  -0.199
  702    H    MET  95           H        MET  95   4.881  13.844  -0.709
  703    HA   MET  95           HA       MET  95   7.806  14.499  -0.872
  704    HB2  MET  95           2HB      MET  95   7.294  16.825  -0.968
  705    HB3  MET  95           3HB      MET  95   6.553  15.991  -2.336
  706    HG2  MET  95           2HG      MET  95   4.381  16.006  -1.187
  707    HG3  MET  95           3HG      MET  95   5.080  16.808   0.208
  708    HE1  MET  95           3HE      MET  95   5.755  19.333   0.338
  709    HE2  MET  95           1HE      MET  95   6.971  19.098  -0.940
  710    HE3  MET  95           2HE      MET  95   5.811  20.433  -1.055
  711    H    ALA  96           H        ALA  96   4.840  14.366   1.172
  712    HA   ALA  96           HA       ALA  96   6.281  15.406   3.492
  713    HB1  ALA  96           3HB      ALA  96   3.862  15.570   3.411
  714    HB2  ALA  96           1HB      ALA  96   3.711  13.806   3.250
  715    HB3  ALA  96           2HB      ALA  96   4.336  14.515   4.755
  716    H    TYR  97           H        TYR  97   5.921  12.250   1.947
  717    HA   TYR  97           HA       TYR  97   7.443  10.962   4.165
  718    HD1  TYR  97           HD2      TYR  97   5.656  10.383   6.133
  719    HD2  TYR  97           HD1      TYR  97   3.308  11.071   2.577
  720    HE1  TYR  97           HE2      TYR  97   3.854  11.379   7.512
  721    HE2  TYR  97           HE1      TYR  97   1.488  11.976   3.936
  722    HH   TYR  97           HH       TYR  97   0.790  12.611   6.094
  723    HB2  TYR  97           2HB      TYR  97   5.286   9.700   2.453
  724    HB3  TYR  97           3HB      TYR  97   6.020   9.056   3.909
  725    H    GLY  98           H        GLY  98   7.535  11.631   0.783
  726    HA2  GLY  98           2HA      GLY  98   9.321  11.229  -0.616
  727    HA3  GLY  98           1HA      GLY  98  10.042  10.208   0.621
  728    HA   PRO  99           HA       PRO  99   8.520   7.481  -2.898
  729    HB2  PRO  99           2HB      PRO  99  10.959   6.298  -3.456
  730    HB3  PRO  99           3HB      PRO  99  10.378   7.770  -4.266
  731    HG2  PRO  99           2HG      PRO  99  12.293   7.544  -1.944
  732    HG3  PRO  99           3HG      PRO  99  12.406   8.605  -3.382
  733    HD2  PRO  99           2HD      PRO  99  11.501   9.492  -0.961
  734    HD3  PRO  99           3HD      PRO  99  10.840  10.122  -2.498
  735    H    ALA 100           H        ALA 100   7.848   5.451  -2.386
  736    HA   ALA 100           HA       ALA 100   8.719   4.117   0.095
  737    HB1  ALA 100           3HB      ALA 100   6.351   3.983  -0.637
  738    HB2  ALA 100           1HB      ALA 100   6.888   3.348  -2.205
  739    HB3  ALA 100           2HB      ALA 100   7.094   2.377  -0.735
  740    H    GLN 101           H        GLN 101   9.344   1.740  -0.125
  741    HA   GLN 101           HA       GLN 101  11.397   1.292  -2.199
  742    HB2  GLN 101           2HB      GLN 101  10.363  -0.400   0.113
  743    HB3  GLN 101           3HB      GLN 101  11.518  -0.988  -1.093
  744    HG2  GLN 101           2HG      GLN 101  13.054   0.874  -0.491
  745    HG3  GLN 101           3HG      GLN 101  11.932   1.340   0.808
  746   HE21  GLN 101          2HE2      GLN 101  11.665  -0.141   2.645
  747   HE22  GLN 101          1HE2      GLN 101  12.851  -1.381   2.964
  748    H    HIS 102           H        HIS 102   9.941   1.540  -4.001
  749    HA   HIS 102           HA       HIS 102   7.551   0.201  -4.350
  750    HD1  HIS 102           HD1      HIS 102   9.472   3.850  -5.986
  751    HD2  HIS 102           HD2      HIS 102   5.986   1.747  -4.959
  752    HE1  HIS 102           HE1      HIS 102   7.849   5.562  -5.004
  753    HB2  HIS 102           2HB      HIS 102   9.568   1.191  -6.382
  754    HB3  HIS 102           3HB      HIS 102   7.956   0.596  -6.814
  755    H    ALA 103           H        ALA 103  10.516  -1.348  -4.207
  756    HA   ALA 103           HA       ALA 103  10.083  -3.651  -5.889
  757    HB1  ALA 103           3HB      ALA 103  12.307  -3.048  -4.979
  758    HB2  ALA 103           1HB      ALA 103  11.704  -3.227  -3.316
  759    HB3  ALA 103           2HB      ALA 103  11.816  -4.646  -4.381
  760    H    ILE 104           H        ILE 104   9.205  -2.745  -2.518
  761    HA   ILE 104           HA       ILE 104   8.147  -5.333  -1.795
  762    HB   ILE 104           HB       ILE 104   7.515  -2.570  -0.658
  763   HG12  ILE 104          2HG1      ILE 104   9.666  -4.520   0.290
  764   HG13  ILE 104          3HG1      ILE 104   9.979  -3.039  -0.613
  765   HG21  ILE 104          1HG2      ILE 104   7.279  -5.343   0.604
  766   HG22  ILE 104          2HG2      ILE 104   6.842  -3.801   1.373
  767   HG23  ILE 104          3HG2      ILE 104   5.927  -4.373  -0.013
  768   HD11  ILE 104          3HD1      ILE 104   8.885  -1.719   1.226
  769   HD12  ILE 104          1HD1      ILE 104   8.869  -3.210   2.198
  770   HD13  ILE 104          2HD1      ILE 104  10.406  -2.525   1.648
  771    H    SER 105           H        SER 105   6.761  -2.205  -2.988
  772    HA   SER 105           HA       SER 105   4.107  -2.922  -2.975
  773    HG   SER 105           HG       SER 105   5.150   0.422  -3.140
  774    HB2  SER 105           2HB      SER 105   5.198  -1.118  -5.132
  775    HB3  SER 105           3HB      SER 105   3.755  -0.933  -4.117
  776    H    THR 106           H        THR 106   6.469  -3.297  -5.772
  777    HA   THR 106           HA       THR 106   4.427  -4.288  -7.481
  778    HB   THR 106           HB       THR 106   6.441  -5.238  -8.773
  779    HG1  THR 106           1HG      THR 106   8.437  -4.590  -8.110
  780   HG21  THR 106          3HG2      THR 106   5.281  -3.122  -9.233
  781   HG22  THR 106          1HG2      THR 106   6.350  -2.266  -8.102
  782   HG23  THR 106          2HG2      THR 106   7.008  -3.016  -9.581
  783    H    GLU 107           H        GLU 107   6.839  -6.105  -5.448
  784    HA   GLU 107           HA       GLU 107   5.971  -8.627  -6.364
  785    HB2  GLU 107           2HB      GLU 107   7.160  -7.802  -3.687
  786    HB3  GLU 107           3HB      GLU 107   6.910  -9.480  -4.170
  787    HG2  GLU 107           2HG      GLU 107   8.681  -7.474  -5.635
  788    HG3  GLU 107           3HG      GLU 107   9.237  -8.742  -4.552
  789    H    LYS 108           H        LYS 108   4.656  -6.607  -3.698
  790    HA   LYS 108           HA       LYS 108   2.721  -8.586  -2.882
  791    HB2  LYS 108           2HB      LYS 108   2.956  -5.579  -2.476
  792    HB3  LYS 108           3HB      LYS 108   1.595  -6.526  -1.856
  793    HG2  LYS 108           2HG      LYS 108   3.102  -7.997  -0.611
  794    HG3  LYS 108           3HG      LYS 108   4.505  -7.084  -1.183
  795    HD2  LYS 108           2HD      LYS 108   3.740  -5.073  -0.041
  796    HD3  LYS 108           3HD      LYS 108   2.230  -5.853   0.457
  797    HE2  LYS 108           2HE      LYS 108   4.939  -7.030   1.185
  798    HE3  LYS 108           3HE      LYS 108   4.212  -5.745   2.165
  799    HZ1  LYS 108           3HZ      LYS 108   2.479  -7.086   2.801
  800    HZ2  LYS 108           1HZ      LYS 108   2.576  -8.109   1.568
  801    HZ3  LYS 108           2HZ      LYS 108   3.706  -8.175   2.786
  802    H    ILE 109           H        ILE 109   2.455  -5.776  -5.174
  803    HA   ILE 109           HA       ILE 109  -0.322  -6.267  -5.666
  804    HB   ILE 109           HB       ILE 109   1.747  -4.817  -7.364
  805   HG12  ILE 109          2HG1      ILE 109  -0.425  -3.560  -5.615
  806   HG13  ILE 109          3HG1      ILE 109   1.148  -3.928  -4.960
  807   HG21  ILE 109          1HG2      ILE 109  -1.310  -4.550  -7.492
  808   HG22  ILE 109          2HG2      ILE 109  -0.122  -3.770  -8.550
  809   HG23  ILE 109          3HG2      ILE 109  -0.388  -5.505  -8.652
  810   HD11  ILE 109          3HD1      ILE 109   2.229  -2.505  -6.706
  811   HD12  ILE 109          1HD1      ILE 109   0.616  -2.044  -7.297
  812   HD13  ILE 109          2HD1      ILE 109   1.118  -1.608  -5.659
  813    H    LYS 110           H        LYS 110   2.665  -7.550  -7.283
  814    HA   LYS 110           HA       LYS 110   1.322  -9.018  -9.337
  815    HB2  LYS 110           2HB      LYS 110   3.865  -9.688  -7.795
  816    HB3  LYS 110           3HB      LYS 110   3.308 -10.565  -9.217
  817    HG2  LYS 110           2HG      LYS 110   3.708  -8.715 -10.680
  818    HG3  LYS 110           3HG      LYS 110   4.042  -7.621  -9.329
  819    HD2  LYS 110           2HD      LYS 110   5.929  -9.144  -8.638
  820    HD3  LYS 110           3HD      LYS 110   5.665 -10.079 -10.120
  821    HE2  LYS 110           2HE      LYS 110   6.214  -8.087 -11.479
  822    HE3  LYS 110           3HE      LYS 110   6.342  -7.107 -10.015
  823    HZ1  LYS 110           3HZ      LYS 110   8.172  -8.588  -9.299
  824    HZ2  LYS 110           1HZ      LYS 110   8.115  -9.361 -10.743
  825    HZ3  LYS 110           2HZ      LYS 110   8.521  -7.780 -10.693
  826    H    ALA 111           H        ALA 111   2.216  -9.973  -5.956
  827    HA   ALA 111           HA       ALA 111   1.155 -12.586  -6.126
  828    HB1  ALA 111           3HB      ALA 111   2.692 -11.833  -4.344
  829    HB2  ALA 111           1HB      ALA 111   1.419 -10.784  -3.677
  830    HB3  ALA 111           2HB      ALA 111   1.216 -12.546  -3.665
  831    H    LYS 112           H        LYS 112  -0.445  -9.498  -5.210
  832    HA   LYS 112           HA       LYS 112  -2.947 -10.719  -4.489
  833    HB2  LYS 112           2HB      LYS 112  -2.179  -8.464  -3.748
  834    HB3  LYS 112           3HB      LYS 112  -2.356  -7.884  -5.404
  835    HG2  LYS 112           2HG      LYS 112  -4.303  -7.195  -4.255
  836    HG3  LYS 112           3HG      LYS 112  -4.802  -8.532  -5.285
  837    HD2  LYS 112           2HD      LYS 112  -4.645 -10.051  -3.257
  838    HD3  LYS 112           3HD      LYS 112  -4.352  -8.617  -2.271
  839    HE2  LYS 112           2HE      LYS 112  -6.811  -9.194  -3.995
  840    HE3  LYS 112           3HE      LYS 112  -6.723  -9.334  -2.239
  841    HZ1  LYS 112           3HZ      LYS 112  -6.317  -6.926  -2.140
  842    HZ2  LYS 112           1HZ      LYS 112  -6.484  -6.806  -3.773
  843    HZ3  LYS 112           2HZ      LYS 112  -7.750  -7.273  -2.850
  844    H    TYR 113           H        TYR 113  -1.667  -9.496  -7.605
  845    HA   TYR 113           HA       TYR 113  -4.186 -10.393  -8.934
  846    HD1  TYR 113           HD1      TYR 113  -6.158  -8.565  -9.025
  847    HD2  TYR 113           HD2      TYR 113  -2.596  -6.512  -7.733
  848    HE1  TYR 113           HE1      TYR 113  -7.502  -7.274  -7.398
  849    HE2  TYR 113           HE2      TYR 113  -3.933  -5.202  -6.105
  850    HH   TYR 113           HH       TYR 113  -7.483  -5.619  -5.750
  851    HB2  TYR 113           2HB      TYR 113  -2.483  -7.970  -9.597
  852    HB3  TYR 113           3HB      TYR 113  -3.953  -8.477 -10.417
  853    HA   PRO 114           HA       PRO 114  -0.318 -12.412 -10.617
  854    HB2  PRO 114           2HB      PRO 114  -0.992 -15.061 -10.452
  855    HB3  PRO 114           3HB      PRO 114  -0.385 -14.118  -9.057
  856    HG2  PRO 114           2HG      PRO 114  -3.275 -14.712  -9.781
  857    HG3  PRO 114           3HG      PRO 114  -2.464 -14.938  -8.196
  858    HD2  PRO 114           2HD      PRO 114  -3.928 -12.710  -8.740
  859    HD3  PRO 114           3HD      PRO 114  -2.420 -12.624  -7.782
  860    H    ASP 115           H        ASP 115  -3.646 -12.411 -11.587
  861    HA   ASP 115           HA       ASP 115  -3.373 -13.709 -14.145
  862    HB2  ASP 115           2HB      ASP 115  -5.535 -13.276 -12.972
  863    HB3  ASP 115           3HB      ASP 115  -5.311 -11.545 -13.242
  864    H    TYR 116           H        TYR 116  -2.064 -10.798 -12.912
  865    HA   TYR 116           HA       TYR 116  -1.408  -9.781 -15.621
  866    HD1  TYR 116           HD1      TYR 116  -3.069  -8.444 -16.844
  867    HD2  TYR 116           HD2      TYR 116  -4.464  -7.978 -12.787
  868    HE1  TYR 116           HE1      TYR 116  -5.397  -8.355 -17.665
  869    HE2  TYR 116           HE2      TYR 116  -6.800  -7.858 -13.600
  870    HH   TYR 116           HH       TYR 116  -7.653  -8.150 -17.082
  871    HB2  TYR 116           2HB      TYR 116  -2.148  -8.109 -13.186
  872    HB3  TYR 116           3HB      TYR 116  -1.619  -7.485 -14.739
  873    H    GLU 117           H        GLU 117   0.359  -7.850 -14.916
  874    HA   GLU 117           HA       GLU 117   2.333  -8.942 -13.033
  875    HB2  GLU 117           2HB      GLU 117   2.941  -9.949 -15.164
  876    HB3  GLU 117           3HB      GLU 117   2.886  -8.389 -15.983
  877    HG2  GLU 117           2HG      GLU 117   4.788  -7.580 -14.772
  878    HG3  GLU 117           3HG      GLU 117   4.748  -8.945 -13.638
  879    H    VAL 118           H        VAL 118   4.007  -7.201 -12.625
  880    HA   VAL 118           HA       VAL 118   2.914  -4.489 -12.888
  881    HB   VAL 118           HB       VAL 118   3.891  -5.486 -10.212
  882   HG11  VAL 118          1HG1      VAL 118   1.891  -3.298 -10.891
  883   HG12  VAL 118          2HG1      VAL 118   2.645  -3.611  -9.323
  884   HG13  VAL 118          3HG1      VAL 118   3.613  -3.020 -10.685
  885   HG21  VAL 118          3HG2      VAL 118   0.953  -5.626 -11.004
  886   HG22  VAL 118          1HG2      VAL 118   1.997  -7.021 -10.701
  887   HG23  VAL 118          2HG2      VAL 118   1.668  -5.905  -9.402
  888    H    THR 119           H        THR 119   4.636  -2.963 -12.964
  889    HA   THR 119           HA       THR 119   7.372  -3.869 -12.230
  890    HB   THR 119           HB       THR 119   8.121  -2.509 -14.275
  891    HG1  THR 119           1HG      THR 119   6.547  -2.434 -15.953
  892   HG21  THR 119          3HG2      THR 119   8.264  -4.944 -14.195
  893   HG22  THR 119          1HG2      THR 119   6.582  -5.102 -14.728
  894   HG23  THR 119          2HG2      THR 119   7.806  -4.408 -15.820
  895    H    TRP 120           H        TRP 120   8.842  -1.725 -12.221
  896    HA   TRP 120           HA       TRP 120   7.270   0.626 -11.586
  897    HD1  TRP 120           HD1      TRP 120   9.152  -2.592  -9.205
  898    HE1  TRP 120           HE1      TRP 120  11.472  -2.854  -8.202
  899    HE3  TRP 120           HE3      TRP 120  10.548   2.371  -9.085
  900    HZ2  TRP 120           HZ2      TRP 120  13.655  -1.147  -7.388
  901    HZ3  TRP 120           HZ3      TRP 120  12.764   2.980  -8.185
  902    HH2  TRP 120           HH2      TRP 120  14.319   1.254  -7.331
  903    HB2  TRP 120           2HB      TRP 120   8.269   1.119  -9.461
  904    HB3  TRP 120           3HB      TRP 120   7.489  -0.443  -9.358
  905    H    ALA 121           H        ALA 121   8.563   2.560 -11.450
  906    HA   ALA 121           HA       ALA 121  11.384   2.449 -12.232
  907    HB1  ALA 121           3HB      ALA 121  10.190   2.548 -14.436
  908    HB2  ALA 121           1HB      ALA 121   9.277   3.964 -13.864
  909    HB3  ALA 121           2HB      ALA 121  11.034   4.075 -14.080
  910    H    ASN 122           H        ASN 122  12.419   4.175 -11.170
  911    HA   ASN 122           HA       ASN 122  10.712   5.899  -9.523
  912    HB2  ASN 122           2HB      ASN 122  12.631   5.155  -8.360
  913    HB3  ASN 122           3HB      ASN 122  13.724   5.664  -9.663
  914   HD21  ASN 122          2HD2      ASN 122  10.943   7.370  -7.956
  915   HD22  ASN 122          1HD2      ASN 122  11.911   8.747  -7.521
  916    H    ASP 123           H        ASP 123   9.644   6.859 -11.324
  917    HA   ASP 123           HA       ASP 123  10.989   9.332 -12.195
  918    HB2  ASP 123           2HB      ASP 123  10.885   7.523 -14.105
  919    HB3  ASP 123           3HB      ASP 123   9.159   7.890 -14.127
  920    H    GLY 124           H        GLY 124   8.777  10.623 -13.265
  921    HA2  GLY 124           2HA      GLY 124   6.651  11.449 -12.714
  922    HA3  GLY 124           1HA      GLY 124   6.490  10.210 -11.461
  923    H    TYR 125           H        TYR 125   5.677  11.849 -10.042
  924    HA   TYR 125           HA       TYR 125   7.786  13.319  -8.598
  925    HD1  TYR 125           HD1      TYR 125   8.469  16.010  -8.561
  926    HD2  TYR 125           HD2      TYR 125   4.339  15.497  -7.414
  927    HE1  TYR 125           HE1      TYR 125   8.789  17.628  -6.720
  928    HE2  TYR 125           HE2      TYR 125   4.650  17.114  -5.563
  929    HH   TYR 125           HH       TYR 125   7.795  18.743  -4.932
  930    HB2  TYR 125           2HB      TYR 125   6.751  14.972 -10.110
  931    HB3  TYR 125           3HB      TYR 125   5.156  14.549  -9.494
  Start of MODEL   18
    1    HA   MET   1           HA       MET   1  -8.926  -2.175  18.721
    2    H1   MET   1           H1       MET   1 -11.456  -1.110  19.705
    3    H2   MET   1           H2       MET   1 -10.467  -0.519  18.539
    4    H3   MET   1           H3       MET   1 -10.032  -0.395  20.119
    5    HB2  MET   1           2HB      MET   1 -10.263  -2.887  21.367
    6    HB3  MET   1           3HB      MET   1  -9.127  -3.943  20.522
    7    HG2  MET   1           2HG      MET   1  -7.414  -2.141  20.570
    8    HG3  MET   1           3HG      MET   1  -8.495  -1.156  21.560
    9    HE1  MET   1           3HE      MET   1  -9.068  -1.600  24.068
   10    HE2  MET   1           1HE      MET   1  -9.790  -3.179  23.674
   11    HE3  MET   1           2HE      MET   1  -8.584  -3.053  24.969
   12    H    ALA   2           H        ALA   2  -9.188  -4.062  17.568
   13    HA   ALA   2           HA       ALA   2 -11.618  -5.642  17.722
   14    HB1  ALA   2           3HB      ALA   2 -12.342  -4.018  16.003
   15    HB2  ALA   2           1HB      ALA   2 -10.848  -4.293  15.081
   16    HB3  ALA   2           2HB      ALA   2 -12.029  -5.602  15.271
   17    H    VAL   3           H        VAL   3 -10.510  -7.497  18.190
   18    HA   VAL   3           HA       VAL   3  -7.760  -7.752  17.629
   19    HB   VAL   3           HB       VAL   3  -9.635 -10.005  18.424
   20   HG11  VAL   3          1HG1      VAL   3  -6.636  -9.558  18.871
   21   HG12  VAL   3          2HG1      VAL   3  -7.588 -10.915  19.508
   22   HG13  VAL   3          3HG1      VAL   3  -7.359 -10.750  17.767
   23   HG21  VAL   3          3HG2      VAL   3  -8.189  -7.946  20.161
   24   HG22  VAL   3          1HG2      VAL   3  -9.948  -8.166  20.026
   25   HG23  VAL   3          2HG2      VAL   3  -8.966  -9.422  20.773
   26    H    ALA   4           H        ALA   4  -6.615  -8.655  16.066
   27    HA   ALA   4           HA       ALA   4  -7.851 -10.132  13.829
   28    HB1  ALA   4           3HB      ALA   4  -8.016  -7.672  13.311
   29    HB2  ALA   4           1HB      ALA   4  -6.263  -7.527  13.541
   30    HB3  ALA   4           2HB      ALA   4  -6.912  -8.517  12.215
   31    H    ASP   5           H        ASP   5  -5.625 -10.183  12.193
   32    HA   ASP   5           HA       ASP   5  -3.176 -10.558  13.712
   33    HB2  ASP   5           2HB      ASP   5  -4.138 -12.838  13.844
   34    HB3  ASP   5           3HB      ASP   5  -4.410 -12.843  12.100
   35    H    LEU   6           H        LEU   6  -1.374 -10.261  12.247
   36    HA   LEU   6           HA       LEU   6  -1.928  -8.444  10.193
   37    HG   LEU   6           HG       LEU   6   0.223  -8.802  12.654
   38    HB2  LEU   6           2HB      LEU   6   0.593 -10.094  10.624
   39    HB3  LEU   6           3HB      LEU   6   0.442  -8.653   9.633
   40   HD11  LEU   6          1HD1      LEU   6   2.191  -7.295  10.880
   41   HD12  LEU   6          2HD1      LEU   6   2.253  -7.485  12.633
   42   HD13  LEU   6          3HD1      LEU   6   2.511  -8.892  11.603
   43   HD21  LEU   6          3HD2      LEU   6  -0.186  -6.401  10.824
   44   HD22  LEU   6          1HD2      LEU   6  -1.366  -7.103  11.960
   45   HD23  LEU   6          2HD2      LEU   6   0.071  -6.299  12.582
   46    H    ALA   7           H        ALA   7  -1.644 -11.995   9.953
   47    HA   ALA   7           HA       ALA   7  -1.230 -12.039   7.130
   48    HB1  ALA   7           3HB      ALA   7  -0.740 -13.961   8.612
   49    HB2  ALA   7           1HB      ALA   7  -2.480 -14.138   8.950
   50    HB3  ALA   7           2HB      ALA   7  -1.860 -14.406   7.310
   51    H    LEU   8           H        LEU   8  -4.073 -11.493   9.131
   52    HA   LEU   8           HA       LEU   8  -5.996 -12.263   7.046
   53    HG   LEU   8           HG       LEU   8  -5.575 -13.195  10.057
   54    HB2  LEU   8           2HB      LEU   8  -6.411 -10.857   9.717
   55    HB3  LEU   8           3HB      LEU   8  -7.678 -11.474   8.671
   56   HD11  LEU   8          1HD1      LEU   8  -8.532 -12.795  10.678
   57   HD12  LEU   8          2HD1      LEU   8  -7.429 -13.925  11.497
   58   HD13  LEU   8          3HD1      LEU   8  -7.168 -12.182  11.637
   59   HD21  LEU   8          3HD2      LEU   8  -8.026 -13.988   8.420
   60   HD22  LEU   8          1HD2      LEU   8  -6.324 -14.278   7.990
   61   HD23  LEU   8          2HD2      LEU   8  -7.027 -15.100   9.383
   62    H    ILE   9           H        ILE   9  -4.283  -9.354   8.060
   63    HA   ILE   9           HA       ILE   9  -6.190  -7.450   7.148
   64    HB   ILE   9           HB       ILE   9  -3.174  -7.147   7.291
   65   HG12  ILE   9          2HG1      ILE   9  -5.317  -6.596   9.405
   66   HG13  ILE   9          3HG1      ILE   9  -4.119  -7.886   9.462
   67   HG21  ILE   9          1HG2      ILE   9  -5.373  -5.036   7.313
   68   HG22  ILE   9          2HG2      ILE   9  -3.628  -4.725   7.461
   69   HG23  ILE   9          3HG2      ILE   9  -4.271  -5.368   5.962
   70   HD11  ILE   9          3HD1      ILE   9  -2.304  -6.144   9.497
   71   HD12  ILE   9          1HD1      ILE   9  -3.581  -4.923   9.719
   72   HD13  ILE   9          2HD1      ILE   9  -3.363  -6.192  10.926
   73    HA   PRO  10           HA       PRO  10  -5.895  -8.141   2.664
   74    HB2  PRO  10           2HB      PRO  10  -6.426  -5.158   2.817
   75    HB3  PRO  10           3HB      PRO  10  -7.090  -6.351   1.649
   76    HG2  PRO  10           2HG      PRO  10  -8.578  -5.581   3.765
   77    HG3  PRO  10           3HG      PRO  10  -8.471  -7.330   3.367
   78    HD2  PRO  10           2HD      PRO  10  -6.976  -5.784   5.493
   79    HD3  PRO  10           3HD      PRO  10  -7.733  -7.403   5.588
   80    H    ASP  11           H        ASP  11  -3.952  -8.343   1.680
   81    HA   ASP  11           HA       ASP  11  -1.693  -6.878   2.679
   82    HB2  ASP  11           2HB      ASP  11  -1.959  -9.353   1.825
   83    HB3  ASP  11           3HB      ASP  11  -1.604  -8.662   0.238
   84    H    VAL  12           H        VAL  12  -3.643  -6.697  -0.248
   85    HA   VAL  12           HA       VAL  12  -2.477  -4.079  -0.932
   86    HB   VAL  12           HB       VAL  12  -3.069  -6.295  -2.948
   87   HG11  VAL  12          1HG1      VAL  12  -2.050  -3.454  -3.417
   88   HG12  VAL  12          2HG1      VAL  12  -2.209  -4.723  -4.648
   89   HG13  VAL  12          3HG1      VAL  12  -3.650  -4.081  -3.863
   90   HG21  VAL  12          3HG2      VAL  12  -0.383  -5.033  -2.248
   91   HG22  VAL  12          1HG2      VAL  12  -0.886  -6.680  -1.846
   92   HG23  VAL  12          2HG2      VAL  12  -0.691  -6.215  -3.534
   93    H    ASP  13           H        ASP  13  -4.202  -2.643  -1.482
   94    HA   ASP  13           HA       ASP  13  -6.739  -3.745  -2.338
   95    HB2  ASP  13           2HB      ASP  13  -7.011  -3.783   0.164
   96    HB3  ASP  13           3HB      ASP  13  -6.698  -2.049   0.193
   97    H    ILE  14           H        ILE  14  -7.571  -2.376  -3.799
   98    HA   ILE  14           HA       ILE  14  -6.976   0.466  -3.897
   99    HB   ILE  14           HB       ILE  14  -6.208   0.335  -6.251
  100   HG12  ILE  14          2HG1      ILE  14  -5.871  -2.668  -5.800
  101   HG13  ILE  14          3HG1      ILE  14  -7.101  -1.921  -6.820
  102   HG21  ILE  14          1HG2      ILE  14  -4.269  -1.206  -4.484
  103   HG22  ILE  14          2HG2      ILE  14  -3.891  -0.096  -5.818
  104   HG23  ILE  14          3HG2      ILE  14  -4.587   0.531  -4.325
  105   HD11  ILE  14          3HD1      ILE  14  -5.307  -0.960  -8.262
  106   HD12  ILE  14          1HD1      ILE  14  -4.099  -1.853  -7.300
  107   HD13  ILE  14          2HD1      ILE  14  -5.327  -2.734  -8.218
  108    H    ASP  15           H        ASP  15  -8.431   1.459  -5.566
  109    HA   ASP  15           HA       ASP  15 -10.554  -0.224  -6.698
  110    HB2  ASP  15           2HB      ASP  15 -11.331   0.186  -4.363
  111    HB3  ASP  15           3HB      ASP  15 -11.237   1.924  -4.649
  112    H    SER  16           H        SER  16  -8.608   1.109  -8.073
  113    HA   SER  16           HA       SER  16  -9.989   3.382  -9.360
  114    HG   SER  16           HG       SER  16  -8.771   3.638  -6.647
  115    HB2  SER  16           2HB      SER  16  -7.160   3.560  -8.269
  116    HB3  SER  16           3HB      SER  16  -8.052   4.839  -9.116
  117    H    ASP  17           H        ASP  17  -8.567   4.147 -11.260
  118    HA   ASP  17           HA       ASP  17  -6.779   2.217 -12.491
  119    HB2  ASP  17           2HB      ASP  17  -8.988   1.382 -13.244
  120    HB3  ASP  17           3HB      ASP  17  -9.434   3.007 -13.772
  121    H    GLY  18           H        GLY  18  -5.882   3.341 -14.534
  122    HA2  GLY  18           2HA      GLY  18  -4.886   5.222 -15.490
  123    HA3  GLY  18           1HA      GLY  18  -6.052   6.263 -14.658
  124    H    VAL  19           H        VAL  19  -4.149   7.657 -14.134
  125    HA   VAL  19           HA       VAL  19  -2.151   6.630 -12.286
  126    HB   VAL  19           HB       VAL  19  -2.797   9.505 -13.040
  127   HG11  VAL  19          1HG1      VAL  19  -0.342   8.264 -11.704
  128   HG12  VAL  19          2HG1      VAL  19  -0.475   9.950 -12.248
  129   HG13  VAL  19          3HG1      VAL  19  -1.506   9.372 -10.940
  130   HG21  VAL  19          3HG2      VAL  19  -0.707   7.596 -14.171
  131   HG22  VAL  19          1HG2      VAL  19  -2.118   8.251 -15.042
  132   HG23  VAL  19          2HG2      VAL  19  -0.819   9.329 -14.535
  133    H    PHE  20           H        PHE  20  -2.375   6.533 -10.061
  134    HA   PHE  20           HA       PHE  20  -3.893   8.571  -8.664
  135    HD1  PHE  20           HD2      PHE  20  -5.193   5.051 -10.452
  136    HD2  PHE  20           HD1      PHE  20  -4.353   5.029  -6.228
  137    HE1  PHE  20           HE2      PHE  20  -4.914   2.588 -10.523
  138    HE2  PHE  20           HE1      PHE  20  -4.117   2.559  -6.290
  139    HZ   PHE  20           HZ       PHE  20  -4.382   1.335  -8.438
  140    HB2  PHE  20           2HB      PHE  20  -5.237   7.049  -7.306
  141    HB3  PHE  20           3HB      PHE  20  -5.734   7.023  -8.982
  142    H    LYS  21           H        LYS  21  -3.304   8.641  -6.398
  143    HA   LYS  21           HA       LYS  21  -0.536   7.825  -6.008
  144    HB2  LYS  21           2HB      LYS  21  -2.540   9.419  -4.372
  145    HB3  LYS  21           3HB      LYS  21  -0.903   9.071  -3.817
  146    HG2  LYS  21           2HG      LYS  21   0.084  10.220  -5.722
  147    HG3  LYS  21           3HG      LYS  21  -1.506  10.469  -6.462
  148    HD2  LYS  21           2HD      LYS  21  -2.198  11.886  -4.585
  149    HD3  LYS  21           3HD      LYS  21  -0.622  11.660  -3.802
  150    HE2  LYS  21           2HE      LYS  21   0.493  12.660  -5.815
  151    HE3  LYS  21           3HE      LYS  21  -1.092  12.887  -6.563
  152    HZ1  LYS  21           3HZ      LYS  21  -1.669  14.369  -4.720
  153    HZ2  LYS  21           1HZ      LYS  21  -0.151  14.227  -4.094
  154    HZ3  LYS  21           2HZ      LYS  21  -0.374  14.922  -5.555
  155    H    TYR  22           H        TYR  22   0.228   6.678  -4.143
  156    HA   TYR  22           HA       TYR  22  -1.644   5.002  -2.674
  157    HD1  TYR  22           HD1      TYR  22   1.810   4.399  -5.333
  158    HD2  TYR  22           HD2      TYR  22   0.321   1.819  -2.235
  159    HE1  TYR  22           HE1      TYR  22   4.128   3.755  -4.773
  160    HE2  TYR  22           HE2      TYR  22   2.630   1.150  -1.663
  161    HH   TYR  22           HH       TYR  22   5.451   2.723  -3.175
  162    HB2  TYR  22           2HB      TYR  22  -1.170   3.016  -3.664
  163    HB3  TYR  22           3HB      TYR  22  -0.644   3.957  -5.030
  164    H    VAL  23           H        VAL  23  -0.404   3.854  -0.877
  165    HA   VAL  23           HA       VAL  23   2.252   4.991  -0.291
  166    HB   VAL  23           HB       VAL  23   1.655   5.212   2.120
  167   HG11  VAL  23          1HG1      VAL  23   0.182   7.098   0.249
  168   HG12  VAL  23          2HG1      VAL  23   0.595   7.426   1.948
  169   HG13  VAL  23          3HG1      VAL  23   1.877   7.200   0.752
  170   HG21  VAL  23          3HG2      VAL  23  -1.232   5.042   1.174
  171   HG22  VAL  23          1HG2      VAL  23  -0.395   3.855   2.167
  172   HG23  VAL  23          2HG2      VAL  23  -0.684   5.485   2.805
  173    H    LEU  24           H        LEU  24   3.477   3.744   1.132
  174    HA   LEU  24           HA       LEU  24   2.737   0.856   1.175
  175    HG   LEU  24           HG       LEU  24   6.348   0.005   0.535
  176    HB2  LEU  24           2HB      LEU  24   4.796   1.778  -0.157
  177    HB3  LEU  24           3HB      LEU  24   5.523   2.070   1.403
  178   HD11  LEU  24          1HD1      LEU  24   4.277  -0.912   2.564
  179   HD12  LEU  24          2HD1      LEU  24   5.888  -1.578   2.246
  180   HD13  LEU  24          3HD1      LEU  24   5.725   0.012   3.008
  181   HD21  LEU  24          3HD2      LEU  24   3.522  -1.091   0.331
  182   HD22  LEU  24          1HD2      LEU  24   4.376  -0.323  -1.020
  183   HD23  LEU  24          2HD2      LEU  24   5.034  -1.792  -0.298
  184    H    ILE  25           H        ILE  25   2.196   0.266   3.332
  185    HA   ILE  25           HA       ILE  25   3.257   2.020   5.512
  186    HB   ILE  25           HB       ILE  25   0.558   0.693   5.662
  187   HG12  ILE  25          2HG1      ILE  25   1.052   3.501   4.579
  188   HG13  ILE  25          3HG1      ILE  25   0.383   2.133   3.680
  189   HG21  ILE  25          1HG2      ILE  25   1.670   3.169   7.040
  190   HG22  ILE  25          2HG2      ILE  25   0.184   2.280   7.456
  191   HG23  ILE  25          3HG2      ILE  25   1.748   1.532   7.715
  192   HD11  ILE  25          3HD1      ILE  25  -1.558   2.063   5.260
  193   HD12  ILE  25          1HD1      ILE  25  -0.958   3.567   6.003
  194   HD13  ILE  25          2HD1      ILE  25  -1.450   3.552   4.308
  195    H    ARG  26           H        ARG  26   4.383   1.002   7.015
  196    HA   ARG  26           HA       ARG  26   4.505  -1.947   7.089
  197    HE   ARG  26           HE       ARG  26   7.403  -1.049  11.425
  198    HB2  ARG  26           2HB      ARG  26   6.530  -0.424   7.367
  199    HB3  ARG  26           3HB      ARG  26   5.827   0.142   8.889
  200    HG2  ARG  26           2HG      ARG  26   5.889  -2.249   9.732
  201    HG3  ARG  26           3HG      ARG  26   6.599  -2.742   8.190
  202    HD2  ARG  26           2HD      ARG  26   8.363  -2.539   9.800
  203    HD3  ARG  26           3HD      ARG  26   8.543  -1.214   8.651
  204   HH11  ARG  26          1HH2      ARG  26   9.002   0.727   8.738
  205   HH12  ARG  26          2HH2      ARG  26   9.015   2.208   9.683
  206   HH21  ARG  26          1HH1      ARG  26   7.628   0.883  12.564
  207   HH22  ARG  26          2HH1      ARG  26   8.305   2.291  11.742
  208    H    VAL  27           H        VAL  27   3.730  -3.114   8.890
  209    HA   VAL  27           HA       VAL  27   1.952  -1.732  10.823
  210    HB   VAL  27           HB       VAL  27   1.350  -4.388   9.453
  211   HG11  VAL  27          1HG1      VAL  27  -0.450  -2.461  10.975
  212   HG12  VAL  27          2HG1      VAL  27  -0.932  -4.018  10.283
  213   HG13  VAL  27          3HG1      VAL  27   0.221  -3.970  11.622
  214   HG21  VAL  27          3HG2      VAL  27   0.274  -1.673   8.595
  215   HG22  VAL  27          1HG2      VAL  27   1.249  -2.796   7.618
  216   HG23  VAL  27          2HG2      VAL  27  -0.387  -3.243   8.089
  217    H    HIS  28           H        HIS  28   2.121  -2.675  12.898
  218    HA   HIS  28           HA       HIS  28   3.913  -5.056  13.247
  219    HD1  HIS  28           HD1      HIS  28   6.657  -4.419  13.615
  220    HD2  HIS  28           HD2      HIS  28   4.810  -0.651  14.005
  221    HE1  HIS  28           HE1      HIS  28   8.380  -2.701  12.889
  222    HB2  HIS  28           2HB      HIS  28   3.499  -2.642  15.066
  223    HB3  HIS  28           3HB      HIS  28   4.467  -4.062  15.447
  224    H    SER  29           H        SER  29   3.088  -6.635  14.684
  225    HA   SER  29           HA       SER  29   0.316  -6.814  15.110
  226    HG   SER  29           HG       SER  29   1.489  -9.837  14.907
  227    HB2  SER  29           2HB      SER  29   2.583  -8.211  16.577
  228    HB3  SER  29           3HB      SER  29   0.878  -8.698  16.581
  229    H    ALA  30           H        ALA  30  -0.757  -5.319  16.266
  230    HA   ALA  30           HA       ALA  30  -0.376  -5.409  19.153
  231    HB1  ALA  30           3HB      ALA  30   0.965  -3.425  18.515
  232    HB2  ALA  30           1HB      ALA  30  -0.443  -2.724  17.695
  233    HB3  ALA  30           2HB      ALA  30  -0.461  -2.960  19.452
  234    HA   PRO  31           HA       PRO  31  -4.690  -4.632  17.191
  235    HB2  PRO  31           2HB      PRO  31  -5.847  -6.997  16.502
  236    HB3  PRO  31           3HB      PRO  31  -4.641  -6.196  15.466
  237    HG2  PRO  31           2HG      PRO  31  -4.120  -8.368  17.536
  238    HG3  PRO  31           3HG      PRO  31  -3.649  -8.357  15.798
  239    HD2  PRO  31           2HD      PRO  31  -1.905  -7.548  17.688
  240    HD3  PRO  31           3HD      PRO  31  -2.053  -6.712  16.113
  241    H    ARG  32           H        ARG  32  -3.760  -5.268  19.927
  242    HA   ARG  32           HA       ARG  32  -6.361  -5.358  21.207
  243    HE   ARG  32           HE       ARG  32  -6.630  -8.751  25.746
  244    HB2  ARG  32           2HB      ARG  32  -5.697  -7.794  20.971
  245    HB3  ARG  32           3HB      ARG  32  -4.316  -7.488  22.008
  246    HG2  ARG  32           2HG      ARG  32  -6.865  -6.569  23.209
  247    HG3  ARG  32           3HG      ARG  32  -6.921  -8.270  22.759
  248    HD2  ARG  32           2HD      ARG  32  -5.025  -8.827  24.109
  249    HD3  ARG  32           3HD      ARG  32  -4.615  -7.142  24.402
  250   HH11  ARG  32          1HH2      ARG  32  -5.652  -5.399  25.025
  251   HH12  ARG  32          2HH2      ARG  32  -6.396  -4.742  26.444
  252   HH21  ARG  32          1HH1      ARG  32  -7.653  -7.857  27.596
  253   HH22  ARG  32          2HH1      ARG  32  -7.582  -6.167  27.914
  254    H    SER  33           H        SER  33  -3.717  -3.684  20.805
  255    HA   SER  33           HA       SER  33  -2.145  -2.564  21.935
  256    HG   SER  33           HG       SER  33  -4.868  -0.416  22.654
  257    HB2  SER  33           2HB      SER  33  -4.383  -2.248  23.968
  258    HB3  SER  33           3HB      SER  33  -2.998  -1.164  23.738
  259    H    GLY  34           H        GLY  34  -2.124  -5.446  22.446
  260    HA2  GLY  34           2HA      GLY  34  -0.102  -5.862  24.284
  261    HA3  GLY  34           1HA      GLY  34  -1.604  -5.978  25.226
  262    H    ALA  35           H        ALA  35  -1.139  -6.940  21.788
  263    HA   ALA  35           HA       ALA  35  -2.397  -9.530  22.270
  264    HB1  ALA  35           3HB      ALA  35  -2.790  -8.302  20.154
  265    HB2  ALA  35           1HB      ALA  35  -1.041  -8.352  19.795
  266    HB3  ALA  35           2HB      ALA  35  -1.993  -9.847  19.837
  267    HA   PRO  36           HA       PRO  36   1.419 -11.619  23.126
  268    HB2  PRO  36           2HB      PRO  36   0.996 -14.184  22.232
  269    HB3  PRO  36           3HB      PRO  36   0.178 -13.486  23.662
  270    HG2  PRO  36           2HG      PRO  36  -0.881 -13.695  20.827
  271    HG3  PRO  36           3HG      PRO  36  -1.709 -14.137  22.354
  272    HD2  PRO  36           2HD      PRO  36  -2.140 -11.745  21.131
  273    HD3  PRO  36           3HD      PRO  36  -2.087 -11.875  22.914
  274    H    ALA  37           H        ALA  37   0.279 -11.611  19.796
  275    HA   ALA  37           HA       ALA  37   2.714 -12.565  18.560
  276    HB1  ALA  37           3HB      ALA  37   0.527 -12.648  17.410
  277    HB2  ALA  37           1HB      ALA  37   0.427 -10.873  17.444
  278    HB3  ALA  37           2HB      ALA  37   1.691 -11.680  16.490
  279    H    ALA  38           H        ALA  38   4.351 -11.343  17.573
  280    HA   ALA  38           HA       ALA  38   4.421  -8.409  17.890
  281    HB1  ALA  38           3HB      ALA  38   5.500  -9.343  19.935
  282    HB2  ALA  38           1HB      ALA  38   6.625 -10.263  18.905
  283    HB3  ALA  38           2HB      ALA  38   6.654  -8.484  18.902
  284    H    GLU  39           H        GLU  39   3.929 -10.081  15.624
  285    HA   GLU  39           HA       GLU  39   6.388 -10.166  14.032
  286    HB2  GLU  39           2HB      GLU  39   3.467 -10.673  13.293
  287    HB3  GLU  39           3HB      GLU  39   4.845 -10.939  12.234
  288    HG2  GLU  39           2HG      GLU  39   4.239 -12.444  14.811
  289    HG3  GLU  39           3HG      GLU  39   4.053 -13.043  13.170
  290    H    SER  40           H        SER  40   5.964  -9.145  11.711
  291    HA   SER  40           HA       SER  40   4.569  -6.579  11.802
  292    HG   SER  40           HG       SER  40   8.118  -6.089  12.740
  293    HB2  SER  40           2HB      SER  40   7.438  -6.746  10.860
  294    HB3  SER  40           3HB      SER  40   6.443  -5.297  10.994
  295    H    LYS  41           H        LYS  41   4.329  -5.724   9.598
  296    HA   LYS  41           HA       LYS  41   4.460  -7.596   7.329
  297    HB2  LYS  41           2HB      LYS  41   2.515  -8.310   8.695
  298    HB3  LYS  41           3HB      LYS  41   1.895  -6.669   8.706
  299    HG2  LYS  41           2HG      LYS  41   2.115  -7.571   5.943
  300    HG3  LYS  41           3HG      LYS  41   1.344  -8.825   6.910
  301    HD2  LYS  41           2HD      LYS  41  -0.321  -7.239   7.768
  302    HD3  LYS  41           3HD      LYS  41   0.491  -5.909   6.952
  303    HE2  LYS  41           2HE      LYS  41  -1.529  -6.540   5.780
  304    HE3  LYS  41           3HE      LYS  41  -0.106  -6.781   4.759
  305    HZ1  LYS  41           3HZ      LYS  41  -0.424  -8.976   4.716
  306    HZ2  LYS  41           1HZ      LYS  41  -1.126  -9.086   6.246
  307    HZ3  LYS  41           2HZ      LYS  41  -1.992  -8.564   4.966
  308    H    GLU  42           H        GLU  42   3.341  -6.293   5.397
  309    HA   GLU  42           HA       GLU  42   3.244  -3.406   5.903
  310    HB2  GLU  42           2HB      GLU  42   4.673  -4.500   3.451
  311    HB3  GLU  42           3HB      GLU  42   4.413  -2.832   3.898
  312    HG2  GLU  42           2HG      GLU  42   6.672  -3.227   4.315
  313    HG3  GLU  42           3HG      GLU  42   5.910  -3.175   5.894
  314    H    ILE  43           H        ILE  43   1.903  -2.334   4.301
  315    HA   ILE  43           HA       ILE  43   0.188  -4.103   2.659
  316    HB   ILE  43           HB       ILE  43  -1.765  -2.703   3.322
  317   HG12  ILE  43          2HG1      ILE  43  -0.040  -1.721   5.626
  318   HG13  ILE  43          3HG1      ILE  43  -0.583  -0.747   4.255
  319   HG21  ILE  43          1HG2      ILE  43  -0.536  -4.229   5.633
  320   HG22  ILE  43          2HG2      ILE  43  -2.268  -3.977   5.312
  321   HG23  ILE  43          3HG2      ILE  43  -1.321  -4.961   4.201
  322   HD11  ILE  43          3HD1      ILE  43  -2.952  -1.116   4.950
  323   HD12  ILE  43          1HD1      ILE  43  -2.384  -1.989   6.391
  324   HD13  ILE  43          2HD1      ILE  43  -1.980  -0.286   6.178
  325    H    VAL  44           H        VAL  44  -0.779  -3.100   0.907
  326    HA   VAL  44           HA       VAL  44   0.451  -0.534  -0.022
  327    HB   VAL  44           HB       VAL  44  -0.671  -2.894  -1.591
  328   HG11  VAL  44          1HG1      VAL  44   0.962  -0.551  -2.621
  329   HG12  VAL  44          2HG1      VAL  44   0.286  -1.884  -3.571
  330   HG13  VAL  44          3HG1      VAL  44  -0.800  -0.720  -2.810
  331   HG21  VAL  44          3HG2      VAL  44   2.251  -2.171  -1.194
  332   HG22  VAL  44          1HG2      VAL  44   1.431  -3.596  -0.518
  333   HG23  VAL  44          2HG2      VAL  44   1.626  -3.438  -2.264
  334    H    ARG  45           H        ARG  45  -1.036   1.109  -0.074
  335    HA   ARG  45           HA       ARG  45  -3.949   0.511  -0.506
  336    HE   ARG  45           HE       ARG  45  -4.148  -1.059   0.793
  337    HB2  ARG  45           2HB      ARG  45  -2.689   2.654   1.286
  338    HB3  ARG  45           3HB      ARG  45  -4.402   2.497   0.959
  339    HG2  ARG  45           2HG      ARG  45  -2.713   0.524   2.559
  340    HG3  ARG  45           3HG      ARG  45  -3.737   1.800   3.182
  341    HD2  ARG  45           2HD      ARG  45  -5.147  -0.023   3.408
  342    HD3  ARG  45           3HD      ARG  45  -5.677   0.608   1.851
  343   HH11  ARG  45          1HH2      ARG  45  -5.502  -1.877   4.007
  344   HH12  ARG  45          2HH2      ARG  45  -4.882  -3.496   3.948
  345   HH21  ARG  45          1HH1      ARG  45  -3.337  -3.087   0.809
  346   HH22  ARG  45          2HH1      ARG  45  -3.695  -4.220   2.107
  347    H    GLY  46           H        GLY  46  -4.838   1.924  -2.123
  348    HA2  GLY  46           2HA      GLY  46  -3.786   4.553  -2.460
  349    HA3  GLY  46           1HA      GLY  46  -3.247   3.520  -3.798
  350    H    TYR  47           H        TYR  47  -5.285   5.826  -3.510
  351    HA   TYR  47           HA       TYR  47  -7.399   4.573  -5.089
  352    HD1  TYR  47           HD2      TYR  47  -6.818   4.940  -0.925
  353    HD2  TYR  47           HD1      TYR  47  -9.443   2.729  -3.502
  354    HE1  TYR  47           HE2      TYR  47  -6.617   2.974   0.587
  355    HE2  TYR  47           HE1      TYR  47  -9.245   0.745  -2.025
  356    HH   TYR  47           HH       TYR  47  -8.312  -0.122  -0.085
  357    HB2  TYR  47           2HB      TYR  47  -8.150   6.069  -2.558
  358    HB3  TYR  47           3HB      TYR  47  -9.221   5.214  -3.654
  359    H    LYS  48           H        LYS  48  -8.487   6.068  -6.320
  360    HA   LYS  48           HA       LYS  48  -7.432   8.560  -6.953
  361    HB2  LYS  48           2HB      LYS  48  -9.519   8.883  -8.211
  362    HB3  LYS  48           3HB      LYS  48  -8.873   7.255  -8.392
  363    HG2  LYS  48           2HG      LYS  48 -10.560   6.596  -6.488
  364    HG3  LYS  48           3HG      LYS  48 -11.326   8.152  -6.838
  365    HD2  LYS  48           2HD      LYS  48 -11.581   7.457  -9.219
  366    HD3  LYS  48           3HD      LYS  48 -10.820   5.905  -8.853
  367    HE2  LYS  48           2HE      LYS  48 -13.437   6.937  -7.668
  368    HE3  LYS  48           3HE      LYS  48 -13.290   5.762  -8.976
  369    HZ1  LYS  48           3HZ      LYS  48 -12.146   4.263  -7.397
  370    HZ2  LYS  48           1HZ      LYS  48 -12.388   5.341  -6.189
  371    HZ3  LYS  48           2HZ      LYS  48 -13.661   4.632  -6.916
  372    H    TRP  49           H        TRP  49  -9.774   7.854  -4.322
  373    HA   TRP  49           HA       TRP  49 -10.471  10.622  -3.979
  374    HD1  TRP  49           HD1      TRP  49 -12.392   6.704  -3.173
  375    HE1  TRP  49           HE1      TRP  49 -11.739   4.713  -1.725
  376    HE3  TRP  49           HE3      TRP  49  -8.964   9.002  -0.139
  377    HZ2  TRP  49           HZ2      TRP  49  -9.964   4.178   0.524
  378    HZ3  TRP  49           HZ3      TRP  49  -7.736   7.713   1.554
  379    HH2  TRP  49           HH2      TRP  49  -8.210   5.283   1.893
  380    HB2  TRP  49           2HB      TRP  49 -11.288   9.872  -1.722
  381    HB3  TRP  49           3HB      TRP  49 -12.040   9.191  -3.140
  382    H    ALA  50           H        ALA  50  -7.665   8.728  -2.883
  383    HA   ALA  50           HA       ALA  50  -6.844  10.866  -1.046
  384    HB1  ALA  50           3HB      ALA  50  -6.361   8.645  -0.338
  385    HB2  ALA  50           1HB      ALA  50  -5.493   8.275  -1.860
  386    HB3  ALA  50           2HB      ALA  50  -4.854   9.483  -0.715
  387    H    GLU  51           H        GLU  51  -7.082  12.419  -2.852
  388    HA   GLU  51           HA       GLU  51  -5.215  12.476  -5.011
  389    HB2  GLU  51           2HB      GLU  51  -7.419  13.744  -4.730
  390    HB3  GLU  51           3HB      GLU  51  -6.597  14.811  -3.600
  391    HG2  GLU  51           2HG      GLU  51  -6.764  15.877  -5.749
  392    HG3  GLU  51           3HG      GLU  51  -5.074  15.555  -5.441
  393    H    TYR  52           H        TYR  52  -4.593  12.681  -1.691
  394    HA   TYR  52           HA       TYR  52  -1.897  13.722  -2.141
  395    HD1  TYR  52           HD1      TYR  52  -4.835  15.967  -1.956
  396    HD2  TYR  52           HD2      TYR  52  -3.874  14.458   1.954
  397    HE1  TYR  52           HE1      TYR  52  -7.113  16.599  -1.170
  398    HE2  TYR  52           HE2      TYR  52  -6.132  15.088   2.768
  399    HH   TYR  52           HH       TYR  52  -8.586  16.635   0.639
  400    HB2  TYR  52           2HB      TYR  52  -2.152  14.727   0.278
  401    HB3  TYR  52           3HB      TYR  52  -2.485  15.653  -1.169
  402    H    HIS  53           H        HIS  53  -0.383  12.690  -0.533
  403    HA   HIS  53           HA       HIS  53  -1.215   9.878  -0.358
  404    HD2  HIS  53           HD2      HIS  53   1.587  12.701  -1.730
  405    HE1  HIS  53           HE1      HIS  53   2.527   9.454  -4.274
  406    HE2  HIS  53           HE2      HIS  53   2.600  11.963  -4.030
  407    HB2  HIS  53           2HB      HIS  53   1.384  11.202   0.518
  408    HB3  HIS  53           3HB      HIS  53   1.089   9.491   0.324
  409    H    ALA  54           H        ALA  54  -0.560  12.666   1.751
  410    HA   ALA  54           HA       ALA  54  -0.717  11.442   4.262
  411    HB1  ALA  54           3HB      ALA  54  -0.280  13.861   3.916
  412    HB2  ALA  54           1HB      ALA  54  -1.974  14.096   3.432
  413    HB3  ALA  54           2HB      ALA  54  -1.585  13.598   5.089
  414    H    ASP  55           H        ASP  55  -3.412  11.820   1.939
  415    HA   ASP  55           HA       ASP  55  -5.469  11.684   3.938
  416    HB2  ASP  55           2HB      ASP  55  -5.706  12.492   1.493
  417    HB3  ASP  55           3HB      ASP  55  -5.761  10.811   1.046
  418    H    ILE  56           H        ILE  56  -4.018   9.204   1.760
  419    HA   ILE  56           HA       ILE  56  -5.575   7.046   2.858
  420    HB   ILE  56           HB       ILE  56  -3.386   5.742   1.940
  421   HG12  ILE  56          2HG1      ILE  56  -3.246   8.357   0.445
  422   HG13  ILE  56          3HG1      ILE  56  -1.978   7.366   1.166
  423   HG21  ILE  56          1HG2      ILE  56  -5.704   6.625   0.247
  424   HG22  ILE  56          2HG2      ILE  56  -4.691   5.176   0.028
  425   HG23  ILE  56          3HG2      ILE  56  -5.703   5.320   1.456
  426   HD11  ILE  56          3HD1      ILE  56  -2.414   5.672  -0.659
  427   HD12  ILE  56          1HD1      ILE  56  -3.580   6.807  -1.375
  428   HD13  ILE  56          2HD1      ILE  56  -1.871   7.257  -1.255
  429    H    TYR  57           H        TYR  57  -2.322   8.422   3.623
  430    HA   TYR  57           HA       TYR  57  -1.717   6.294   5.400
  431    HD1  TYR  57           HD2      TYR  57   0.151   5.614   6.410
  432    HD2  TYR  57           HD1      TYR  57   0.385   9.792   7.469
  433    HE1  TYR  57           HE2      TYR  57   1.295   5.008   8.506
  434    HE2  TYR  57           HE1      TYR  57   1.574   9.198   9.551
  435    HH   TYR  57           HH       TYR  57   2.425   7.466  10.871
  436    HB2  TYR  57           2HB      TYR  57   0.028   7.842   4.653
  437    HB3  TYR  57           3HB      TYR  57  -0.760   9.180   5.495
  438    H    ASP  58           H        ASP  58  -3.257   9.523   6.108
  439    HA   ASP  58           HA       ASP  58  -3.582   9.051   8.870
  440    HB2  ASP  58           2HB      ASP  58  -3.837  11.260   7.874
  441    HB3  ASP  58           3HB      ASP  58  -5.242  10.720   6.946
  442    H    LYS  59           H        LYS  59  -5.826   8.343   6.148
  443    HA   LYS  59           HA       LYS  59  -8.008   7.369   7.700
  444    HB2  LYS  59           2HB      LYS  59  -8.254   7.987   5.413
  445    HB3  LYS  59           3HB      LYS  59  -7.040   6.833   4.864
  446    HG2  LYS  59           2HG      LYS  59  -8.450   5.047   4.893
  447    HG3  LYS  59           3HG      LYS  59  -9.380   5.631   6.295
  448    HD2  LYS  59           2HD      LYS  59 -10.550   7.253   4.966
  449    HD3  LYS  59           3HD      LYS  59  -9.530   6.926   3.555
  450    HE2  LYS  59           2HE      LYS  59 -10.393   4.563   3.525
  451    HE3  LYS  59           3HE      LYS  59 -11.478   4.971   4.861
  452    HZ1  LYS  59           3HZ      LYS  59 -12.534   6.608   3.405
  453    HZ2  LYS  59           1HZ      LYS  59 -11.523   6.223   2.173
  454    HZ3  LYS  59           2HZ      LYS  59 -12.599   5.128   2.731
  455    H    VAL  60           H        VAL  60  -5.242   5.558   6.207
  456    HA   VAL  60           HA       VAL  60  -6.398   3.125   7.298
  457    HB   VAL  60           HB       VAL  60  -3.940   3.548   5.581
  458   HG11  VAL  60          1HG1      VAL  60  -5.467   1.017   6.398
  459   HG12  VAL  60          2HG1      VAL  60  -4.179   1.080   5.182
  460   HG13  VAL  60          3HG1      VAL  60  -3.802   1.429   6.856
  461   HG21  VAL  60          3HG2      VAL  60  -6.853   2.759   5.004
  462   HG22  VAL  60          1HG2      VAL  60  -6.027   4.227   4.438
  463   HG23  VAL  60          2HG2      VAL  60  -5.561   2.666   3.810
  464    H    SER  61           H        SER  61  -3.575   5.217   8.255
  465    HA   SER  61           HA       SER  61  -2.659   3.307  10.200
  466    HG   SER  61           HG       SER  61  -1.778   7.270  10.363
  467    HB2  SER  61           2HB      SER  61  -1.493   5.127  11.235
  468    HB3  SER  61           3HB      SER  61  -1.315   5.260   9.481
  469    H    GLY  62           H        GLY  62  -5.195   5.829  10.165
  470    HA2  GLY  62           2HA      GLY  62  -6.175   5.603  12.783
  471    HA3  GLY  62           1HA      GLY  62  -7.136   5.976  11.336
  472    H    ASP  63           H        ASP  63  -7.224   3.686   9.847
  473    HA   ASP  63           HA       ASP  63  -8.979   2.001  11.281
  474    HB2  ASP  63           2HB      ASP  63  -8.954   2.156   8.821
  475    HB3  ASP  63           3HB      ASP  63  -7.416   1.287   8.780
  476    H    MET  64           H        MET  64  -5.509   1.500  10.510
  477    HA   MET  64           HA       MET  64  -5.277  -1.082  11.664
  478    HB2  MET  64           2HB      MET  64  -3.220   1.152  11.425
  479    HB3  MET  64           3HB      MET  64  -2.844  -0.500  11.868
  480    HG2  MET  64           2HG      MET  64  -4.205   0.192   9.235
  481    HG3  MET  64           3HG      MET  64  -2.476   0.076   9.416
  482    HE1  MET  64           3HE      MET  64  -5.870  -1.722   9.652
  483    HE2  MET  64           1HE      MET  64  -5.261  -1.606   7.972
  484    HE3  MET  64           2HE      MET  64  -5.461  -3.196   8.743
  485    H    GLN  65           H        GLN  65  -4.768   2.172  13.168
  486    HA   GLN  65           HA       GLN  65  -4.213   1.097  15.745
  487    HB2  GLN  65           2HB      GLN  65  -5.060   3.801  14.646
  488    HB3  GLN  65           3HB      GLN  65  -4.860   3.574  16.379
  489    HG2  GLN  65           2HG      GLN  65  -2.586   2.814  14.500
  490    HG3  GLN  65           3HG      GLN  65  -2.875   4.495  14.915
  491   HE21  GLN  65          2HE2      GLN  65  -1.971   1.326  16.277
  492   HE22  GLN  65          1HE2      GLN  65  -1.393   1.952  17.812
  493    H    LYS  66           H        LYS  66  -7.314   1.915  14.136
  494    HA   LYS  66           HA       LYS  66  -8.895   1.589  16.531
  495    HB2  LYS  66           2HB      LYS  66  -9.560   1.474  13.569
  496    HB3  LYS  66           3HB      LYS  66 -10.756   1.091  14.812
  497    HG2  LYS  66           2HG      LYS  66 -10.443   3.269  15.880
  498    HG3  LYS  66           3HG      LYS  66  -9.214   3.726  14.708
  499    HD2  LYS  66           2HD      LYS  66 -12.124   3.111  14.036
  500    HD3  LYS  66           3HD      LYS  66 -11.461   4.728  14.305
  501    HE2  LYS  66           2HE      LYS  66  -9.890   4.403  12.386
  502    HE3  LYS  66           3HE      LYS  66 -10.610   2.813  12.091
  503    HZ1  LYS  66           3HZ      LYS  66 -12.726   3.922  11.662
  504    HZ2  LYS  66           1HZ      LYS  66 -12.065   5.390  11.937
  505    HZ3  LYS  66           2HZ      LYS  66 -11.579   4.501  10.662
  506    H    GLN  67           H        GLN  67  -7.702  -0.786  14.039
  507    HA   GLN  67           HA       GLN  67  -8.912  -3.029  15.406
  508    HB2  GLN  67           2HB      GLN  67  -6.403  -2.931  13.678
  509    HB3  GLN  67           3HB      GLN  67  -7.220  -4.387  14.246
  510    HG2  GLN  67           2HG      GLN  67  -9.286  -3.694  13.020
  511    HG3  GLN  67           3HG      GLN  67  -8.453  -2.263  12.428
  512   HE21  GLN  67          2HE2      GLN  67  -8.130  -2.596  10.192
  513   HE22  GLN  67          1HE2      GLN  67  -7.499  -4.097   9.552
  514    H    GLY  68           H        GLY  68  -5.784  -1.406  15.644
  515    HA2  GLY  68           2HA      GLY  68  -5.254  -0.935  18.132
  516    HA3  GLY  68           1HA      GLY  68  -5.080  -2.692  18.227
  517    H    CYS  69           H        CYS  69  -4.140  -2.414  15.246
  518    HA   CYS  69           HA       CYS  69  -1.407  -2.984  15.675
  519    HG   CYS  69           HG       CYS  69  -2.860  -4.749  12.477
  520    HB2  CYS  69           2HB      CYS  69  -3.073  -2.252  13.238
  521    HB3  CYS  69           3HB      CYS  69  -1.368  -2.683  13.130
  522    H    ASP  70           H        ASP  70   0.457  -1.838  15.086
  523    HA   ASP  70           HA       ASP  70   0.214   1.144  15.200
  524    HB2  ASP  70           2HB      ASP  70   1.299   0.213  17.165
  525    HB3  ASP  70           3HB      ASP  70   2.381  -0.756  16.162
  526    H    CYS  71           H        CYS  71   1.398   2.321  13.625
  527    HA   CYS  71           HA       CYS  71   2.535   0.727  11.393
  528    HG   CYS  71           HG       CYS  71  -1.055   0.803   9.898
  529    HB2  CYS  71           2HB      CYS  71   0.184   2.681  11.332
  530    HB3  CYS  71           3HB      CYS  71   1.042   2.160   9.885
  531    H    GLU  72           H        GLU  72   3.510   2.008   9.678
  532    HA   GLU  72           HA       GLU  72   4.006   4.855  10.059
  533    HB2  GLU  72           2HB      GLU  72   5.825   3.871  11.372
  534    HB3  GLU  72           3HB      GLU  72   6.196   2.722  10.072
  535    HG2  GLU  72           2HG      GLU  72   7.005   4.441   8.643
  536    HG3  GLU  72           3HG      GLU  72   6.324   5.722   9.660
  537    H    CYS  73           H        CYS  73   3.902   5.733   7.933
  538    HA   CYS  73           HA       CYS  73   3.807   3.952   5.626
  539    HG   CYS  73           HG       CYS  73   3.088   8.390   5.529
  540    HB2  CYS  73           2HB      CYS  73   3.866   6.176   4.355
  541    HB3  CYS  73           3HB      CYS  73   2.447   5.857   5.335
  542    H    LEU  74           H        LEU  74   5.577   3.187   4.571
  543    HA   LEU  74           HA       LEU  74   8.274   4.017   5.328
  544    HG   LEU  74           HG       LEU  74   6.807   1.041   5.006
  545    HB2  LEU  74           2HB      LEU  74   7.300   2.297   3.004
  546    HB3  LEU  74           3HB      LEU  74   8.969   2.537   3.491
  547   HD11  LEU  74          1HD1      LEU  74   9.549   0.154   4.001
  548   HD12  LEU  74          2HD1      LEU  74   8.278  -0.870   4.707
  549   HD13  LEU  74          3HD1      LEU  74   8.032  -0.110   3.128
  550   HD21  LEU  74          3HD2      LEU  74   9.591   1.813   5.979
  551   HD22  LEU  74          1HD2      LEU  74   8.026   2.196   6.743
  552   HD23  LEU  74          2HD2      LEU  74   8.602   0.523   6.693
  553    H    GLY  75           H        GLY  75   5.882   4.859   2.853
  554    HA2  GLY  75           2HA      GLY  75   6.818   7.395   2.375
  555    HA3  GLY  75           1HA      GLY  75   7.603   6.397   1.142
  556    H    GLY  76           H        GLY  76   6.186   7.888  -0.205
  557    HA2  GLY  76           2HA      GLY  76   3.582   6.543  -0.759
  558    HA3  GLY  76           1HA      GLY  76   3.751   8.296  -0.838
  559    H    GLY  77           H        GLY  77   2.899   7.128  -3.043
  560    HA2  GLY  77           2HA      GLY  77   4.772   7.717  -5.107
  561    HA3  GLY  77           1HA      GLY  77   4.659   5.967  -4.865
  562    H    ARG  78           H        ARG  78   3.638   6.047  -7.114
  563    HA   ARG  78           HA       ARG  78   0.729   6.195  -6.809
  564    HE   ARG  78           HE       ARG  78   3.111   9.831  -7.394
  565    HB2  ARG  78           2HB      ARG  78   0.378   7.697  -8.714
  566    HB3  ARG  78           3HB      ARG  78   1.245   8.489  -7.412
  567    HG2  ARG  78           2HG      ARG  78   3.403   7.801  -8.852
  568    HG3  ARG  78           3HG      ARG  78   2.195   7.630 -10.123
  569    HD2  ARG  78           2HD      ARG  78   3.096   9.841 -10.275
  570    HD3  ARG  78           3HD      ARG  78   1.451   9.999  -9.631
  571   HH11  ARG  78          1HH2      ARG  78   2.693  12.053 -10.120
  572   HH12  ARG  78          2HH2      ARG  78   3.341  13.424  -9.301
  573   HH21  ARG  78          1HH1      ARG  78   4.047  11.706  -6.269
  574   HH22  ARG  78          2HH1      ARG  78   4.118  13.203  -7.103
  575    H    ILE  79           H        ILE  79  -0.349   5.337  -8.739
  576    HA   ILE  79           HA       ILE  79   1.222   3.082  -9.886
  577    HB   ILE  79           HB       ILE  79  -1.556   3.089  -8.623
  578   HG12  ILE  79          2HG1      ILE  79   1.009   1.648  -7.811
  579   HG13  ILE  79          3HG1      ILE  79   0.319   3.041  -6.994
  580   HG21  ILE  79          1HG2      ILE  79  -0.122   0.752  -9.977
  581   HG22  ILE  79          2HG2      ILE  79  -1.685   0.675  -9.138
  582   HG23  ILE  79          3HG2      ILE  79  -1.548   1.598 -10.612
  583   HD11  ILE  79          3HD1      ILE  79  -1.714   1.688  -6.440
  584   HD12  ILE  79          1HD1      ILE  79  -0.880   0.254  -7.094
  585   HD13  ILE  79          2HD1      ILE  79  -0.208   1.107  -5.704
  586    H    SER  80           H        SER  80   0.521   2.478 -11.995
  587    HA   SER  80           HA       SER  80  -1.606   4.025 -13.313
  588    HG   SER  80           HG       SER  80   2.203   4.588 -14.652
  589    HB2  SER  80           2HB      SER  80   0.021   4.412 -15.252
  590    HB3  SER  80           3HB      SER  80   0.214   5.441 -13.827
  591    H    HIS  81           H        HIS  81  -2.243   3.016 -15.339
  592    HA   HIS  81           HA       HIS  81  -1.017   0.536 -16.144
  593    HD1  HIS  81           HD1      HIS  81  -0.943  -1.692 -16.717
  594    HD2  HIS  81           HD2      HIS  81  -5.017  -1.957 -15.649
  595    HE1  HIS  81           HE1      HIS  81  -1.837  -3.791 -17.793
  596    HB2  HIS  81           2HB      HIS  81  -2.469  -0.221 -14.219
  597    HB3  HIS  81           3HB      HIS  81  -3.876   0.349 -15.114
  598    H    GLN  82           H        GLN  82  -1.404   3.087 -17.321
  599    HA   GLN  82           HA       GLN  82  -3.472   2.869 -19.371
  600    HB2  GLN  82           2HB      GLN  82  -1.019   4.681 -19.271
  601    HB3  GLN  82           3HB      GLN  82  -2.398   4.817 -20.357
  602    HG2  GLN  82           2HG      GLN  82  -2.966   6.402 -18.805
  603    HG3  GLN  82           3HG      GLN  82  -3.838   5.015 -18.164
  604   HE21  GLN  82          2HE2      GLN  82  -0.912   7.050 -17.793
  605   HE22  GLN  82          1HE2      GLN  82  -0.628   6.645 -16.121
  606    H    SER  83           H        SER  83  -0.809   1.034 -18.825
  607    HA   SER  83           HA       SER  83   0.775   0.778 -20.998
  608    HG   SER  83           HG       SER  83   1.059  -0.997 -17.766
  609    HB2  SER  83           2HB      SER  83  -0.361  -1.556 -19.434
  610    HB3  SER  83           3HB      SER  83   1.297  -1.336 -20.019
  611    H    GLN  84           H        GLN  84   0.853  -0.650 -22.793
  612    HA   GLN  84           HA       GLN  84  -1.743  -1.302 -24.049
  613    HB2  GLN  84           2HB      GLN  84   1.114  -1.338 -25.119
  614    HB3  GLN  84           3HB      GLN  84  -0.340  -1.684 -26.064
  615    HG2  GLN  84           2HG      GLN  84  -1.200   0.603 -25.591
  616    HG3  GLN  84           3HG      GLN  84   0.290   0.981 -24.724
  617   HE21  GLN  84          2HE2      GLN  84   2.307   1.171 -25.947
  618   HE22  GLN  84          1HE2      GLN  84   2.280   1.389 -27.678
  619    H    ASP  85           H        ASP  85  -0.282  -2.856 -21.735
  620    HA   ASP  85           HA       ASP  85  -0.775  -5.563 -22.681
  621    HB2  ASP  85           2HB      ASP  85   1.603  -5.210 -23.314
  622    HB3  ASP  85           3HB      ASP  85   1.962  -4.653 -21.678
  623    H    LYS  86           H        LYS  86  -0.548  -7.019 -20.662
  624    HA   LYS  86           HA       LYS  86  -2.099  -5.816 -18.539
  625    HB2  LYS  86           2HB      LYS  86  -0.981  -8.631 -18.859
  626    HB3  LYS  86           3HB      LYS  86  -2.157  -8.130 -17.641
  627    HG2  LYS  86           2HG      LYS  86  -3.730  -7.429 -19.492
  628    HG3  LYS  86           3HG      LYS  86  -2.559  -8.046 -20.656
  629    HD2  LYS  86           2HD      LYS  86  -3.862  -9.866 -20.571
  630    HD3  LYS  86           3HD      LYS  86  -2.798 -10.305 -19.246
  631    HE2  LYS  86           2HE      LYS  86  -5.554  -8.979 -19.002
  632    HE3  LYS  86           3HE      LYS  86  -5.221 -10.700 -18.814
  633    HZ1  LYS  86           3HZ      LYS  86  -3.741 -10.085 -16.934
  634    HZ2  LYS  86           1HZ      LYS  86  -4.367  -8.551 -16.986
  635    HZ3  LYS  86           2HZ      LYS  86  -5.311  -9.870 -16.676
  636    H    LYS  87           H        LYS  87   0.463  -4.560 -18.606
  637    HA   LYS  87           HA       LYS  87   1.835  -5.559 -16.157
  638    HB2  LYS  87           2HB      LYS  87   3.073  -5.336 -18.416
  639    HB3  LYS  87           3HB      LYS  87   2.976  -3.585 -18.158
  640    HG2  LYS  87           2HG      LYS  87   4.128  -3.988 -15.912
  641    HG3  LYS  87           3HG      LYS  87   4.379  -5.663 -16.421
  642    HD2  LYS  87           2HD      LYS  87   5.367  -3.150 -17.832
  643    HD3  LYS  87           3HD      LYS  87   6.364  -4.231 -16.878
  644    HE2  LYS  87           2HE      LYS  87   4.907  -5.228 -19.354
  645    HE3  LYS  87           3HE      LYS  87   6.430  -4.357 -19.474
  646    HZ1  LYS  87           3HZ      LYS  87   7.488  -6.041 -18.139
  647    HZ2  LYS  87           1HZ      LYS  87   6.102  -6.893 -17.946
  648    HZ3  LYS  87           2HZ      LYS  87   6.774  -6.733 -19.423
  649    H    ILE  88           H        ILE  88   1.007  -4.511 -14.442
  650    HA   ILE  88           HA       ILE  88  -0.035  -1.741 -14.501
  651    HB   ILE  88           HB       ILE  88   0.454  -3.795 -12.306
  652   HG12  ILE  88          2HG1      ILE  88  -2.212  -2.854 -13.443
  653   HG13  ILE  88          3HG1      ILE  88  -1.392  -4.307 -14.001
  654   HG21  ILE  88          1HG2      ILE  88  -0.963  -1.094 -12.113
  655   HG22  ILE  88          2HG2      ILE  88  -0.919  -2.319 -10.829
  656   HG23  ILE  88          3HG2      ILE  88   0.563  -1.534 -11.315
  657   HD11  ILE  88          3HD1      ILE  88  -1.463  -5.245 -11.692
  658   HD12  ILE  88          1HD1      ILE  88  -2.470  -3.860 -11.202
  659   HD13  ILE  88          2HD1      ILE  88  -3.050  -4.982 -12.438
  660    H    HIS  89           H        HIS  89   1.175  -0.046 -13.145
  661    HA   HIS  89           HA       HIS  89   4.046  -0.680 -12.797
  662    HD1  HIS  89           HD1      HIS  89   6.051  -0.709 -14.749
  663    HD2  HIS  89           HD2      HIS  89   5.332   3.308 -13.673
  664    HE1  HIS  89           HE1      HIS  89   8.306   0.444 -14.741
  665    HB2  HIS  89           2HB      HIS  89   3.471   0.385 -15.097
  666    HB3  HIS  89           3HB      HIS  89   3.171   1.859 -14.180
  667    H    VAL  90           H        VAL  90   5.144   0.767 -11.361
  668    HA   VAL  90           HA       VAL  90   3.439   2.489  -9.644
  669    HB   VAL  90           HB       VAL  90   5.501   0.506  -8.603
  670   HG11  VAL  90          1HG1      VAL  90   3.314   2.060  -7.148
  671   HG12  VAL  90          2HG1      VAL  90   4.508   0.967  -6.410
  672   HG13  VAL  90          3HG1      VAL  90   5.032   2.481  -7.165
  673   HG21  VAL  90          3HG2      VAL  90   2.478   0.130  -8.660
  674   HG22  VAL  90          1HG2      VAL  90   3.694  -0.878  -9.465
  675   HG23  VAL  90          2HG2      VAL  90   3.617  -0.845  -7.703
  676    H    TYR  91           H        TYR  91   4.571   4.406  -9.011
  677    HA   TYR  91           HA       TYR  91   7.436   4.684  -9.374
  678    HD1  TYR  91           HD2      TYR  91   3.928   4.694 -11.659
  679    HD2  TYR  91           HD1      TYR  91   6.428   8.202 -11.663
  680    HE1  TYR  91           HE2      TYR  91   2.051   6.045 -12.510
  681    HE2  TYR  91           HE1      TYR  91   4.640   9.514 -12.683
  682    HH   TYR  91           HH       TYR  91   2.400   9.510 -13.411
  683    HB2  TYR  91           2HB      TYR  91   7.417   6.138 -11.268
  684    HB3  TYR  91           3HB      TYR  91   6.628   4.669 -11.756
  685    H    GLY  92           H        GLY  92   7.701   7.403  -9.553
  686    HA2  GLY  92           2HA      GLY  92   7.199   9.470  -8.708
  687    HA3  GLY  92           1HA      GLY  92   5.579   8.879  -8.335
  688    H    TYR  93           H        TYR  93   5.963  10.366  -6.463
  689    HA   TYR  93           HA       TYR  93   6.957   8.959  -4.100
  690    HD1  TYR  93           HD2      TYR  93   7.423  13.203  -4.119
  691    HD2  TYR  93           HD1      TYR  93   9.396  10.752  -7.075
  692    HE1  TYR  93           HE2      TYR  93   7.642  15.171  -5.598
  693    HE2  TYR  93           HE1      TYR  93   9.640  12.714  -8.548
  694    HH   TYR  93           HH       TYR  93   9.250  15.006  -8.810
  695    HB2  TYR  93           2HB      TYR  93   8.486  10.908  -3.566
  696    HB3  TYR  93           3HB      TYR  93   9.011   9.898  -4.889
  697    H    SER  94           H        SER  94   6.737  10.487  -2.195
  698    HA   SER  94           HA       SER  94   4.392  12.317  -2.335
  699    HG   SER  94           HG       SER  94   3.807  12.639   0.304
  700    HB2  SER  94           2HB      SER  94   3.832  10.568  -0.815
  701    HB3  SER  94           3HB      SER  94   5.487  10.408  -0.247
  702    H    MET  95           H        MET  95   4.756  14.224  -0.746
  703    HA   MET  95           HA       MET  95   7.669  14.956  -0.716
  704    HB2  MET  95           2HB      MET  95   7.032  17.279  -0.685
  705    HB3  MET  95           3HB      MET  95   6.491  16.470  -2.157
  706    HG2  MET  95           2HG      MET  95   4.206  16.382  -1.337
  707    HG3  MET  95           3HG      MET  95   4.696  16.959   0.248
  708    HE1  MET  95           3HE      MET  95   5.810  18.348  -3.379
  709    HE2  MET  95           1HE      MET  95   4.100  17.876  -3.522
  710    HE3  MET  95           2HE      MET  95   4.562  19.590  -3.593
  711    H    ALA  96           H        ALA  96   4.632  14.637   1.196
  712    HA   ALA  96           HA       ALA  96   5.933  15.617   3.617
  713    HB1  ALA  96           3HB      ALA  96   3.531  15.700   3.478
  714    HB2  ALA  96           1HB      ALA  96   3.435  13.955   3.159
  715    HB3  ALA  96           2HB      ALA  96   3.974  14.544   4.747
  716    H    TYR  97           H        TYR  97   5.767  12.492   1.944
  717    HA   TYR  97           HA       TYR  97   7.256  11.219   4.198
  718    HD1  TYR  97           HD2      TYR  97   5.490  10.277   6.098
  719    HD2  TYR  97           HD1      TYR  97   3.228  11.355   2.583
  720    HE1  TYR  97           HE2      TYR  97   3.668  11.143   7.536
  721    HE2  TYR  97           HE1      TYR  97   1.403  12.164   3.992
  722    HH   TYR  97           HH       TYR  97   0.663  12.586   6.190
  723    HB2  TYR  97           2HB      TYR  97   5.194   9.947   2.375
  724    HB3  TYR  97           3HB      TYR  97   5.946   9.236   3.793
  725    H    GLY  98           H        GLY  98   7.655  12.080   0.938
  726    HA2  GLY  98           2HA      GLY  98   9.428  11.620  -0.457
  727    HA3  GLY  98           1HA      GLY  98  10.090  10.549   0.777
  728    HA   PRO  99           HA       PRO  99   8.442   7.923  -2.760
  729    HB2  PRO  99           2HB      PRO  99  10.804   6.691  -3.449
  730    HB3  PRO  99           3HB      PRO  99  10.253   8.226  -4.167
  731    HG2  PRO  99           2HG      PRO  99  12.228   7.822  -1.913
  732    HG3  PRO  99           3HG      PRO  99  12.358   8.920  -3.322
  733    HD2  PRO  99           2HD      PRO  99  11.541   9.772  -0.851
  734    HD3  PRO  99           3HD      PRO  99  10.884  10.480  -2.357
  735    H    ALA 100           H        ALA 100   7.702   5.919  -2.251
  736    HA   ALA 100           HA       ALA 100   8.557   4.489   0.148
  737    HB1  ALA 100           3HB      ALA 100   6.215   4.420  -0.674
  738    HB2  ALA 100           1HB      ALA 100   6.784   3.722  -2.197
  739    HB3  ALA 100           2HB      ALA 100   6.924   2.797  -0.689
  740    H    GLN 101           H        GLN 101   9.024   1.995  -0.235
  741    HA   GLN 101           HA       GLN 101  11.545   1.766  -1.569
  742    HB2  GLN 101           2HB      GLN 101   9.648  -0.427  -0.607
  743    HB3  GLN 101           3HB      GLN 101  11.330  -0.661  -1.073
  744    HG2  GLN 101           2HG      GLN 101  10.320   0.925   1.321
  745    HG3  GLN 101           3HG      GLN 101  11.141  -0.635   1.327
  746   HE21  GLN 101          2HE2      GLN 101  13.455  -0.687   0.503
  747   HE22  GLN 101          1HE2      GLN 101  14.435   0.735   0.736
  748    H    HIS 102           H        HIS 102   8.265   1.100  -2.626
  749    HA   HIS 102           HA       HIS 102   7.269   0.373  -4.428
  750    HD1  HIS 102           HD1      HIS 102   9.790   3.918  -5.525
  751    HD2  HIS 102           HD2      HIS 102   6.002   2.177  -4.973
  752    HE1  HIS 102           HE1      HIS 102   8.213   5.803  -4.852
  753    HB2  HIS 102           2HB      HIS 102   9.730   1.307  -5.858
  754    HB3  HIS 102           3HB      HIS 102   8.207   0.847  -6.637
  755    H    ALA 103           H        ALA 103  10.415  -1.170  -4.050
  756    HA   ALA 103           HA       ALA 103   9.921  -3.464  -5.648
  757    HB1  ALA 103           3HB      ALA 103  12.134  -2.892  -4.703
  758    HB2  ALA 103           1HB      ALA 103  11.520  -3.144  -3.051
  759    HB3  ALA 103           2HB      ALA 103  11.641  -4.514  -4.177
  760    H    ILE 104           H        ILE 104   9.165  -2.787  -2.193
  761    HA   ILE 104           HA       ILE 104   7.985  -5.308  -1.601
  762    HB   ILE 104           HB       ILE 104   7.380  -2.553  -0.428
  763   HG12  ILE 104          2HG1      ILE 104   9.355  -4.678   0.532
  764   HG13  ILE 104          3HG1      ILE 104   9.797  -3.179  -0.288
  765   HG21  ILE 104          1HG2      ILE 104   6.872  -5.334   0.730
  766   HG22  ILE 104          2HG2      ILE 104   6.555  -3.795   1.558
  767   HG23  ILE 104          3HG2      ILE 104   5.634  -4.211   0.127
  768   HD11  ILE 104          3HD1      ILE 104   8.766  -1.868   1.566
  769   HD12  ILE 104          1HD1      ILE 104   8.548  -3.392   2.467
  770   HD13  ILE 104          2HD1      ILE 104  10.171  -2.847   2.033
  771    H    SER 105           H        SER 105   6.605  -2.218  -2.892
  772    HA   SER 105           HA       SER 105   3.942  -2.925  -2.850
  773    HG   SER 105           HG       SER 105   5.133   0.407  -3.080
  774    HB2  SER 105           2HB      SER 105   5.052  -1.166  -5.034
  775    HB3  SER 105           3HB      SER 105   3.652  -0.918  -3.975
  776    H    THR 106           H        THR 106   6.333  -3.239  -5.619
  777    HA   THR 106           HA       THR 106   4.306  -4.278  -7.325
  778    HB   THR 106           HB       THR 106   6.271  -4.962  -8.759
  779    HG1  THR 106           1HG      THR 106   8.254  -4.690  -8.028
  780   HG21  THR 106          3HG2      THR 106   5.059  -2.753  -8.775
  781   HG22  THR 106          1HG2      THR 106   6.335  -2.087  -7.743
  782   HG23  THR 106          2HG2      THR 106   6.726  -2.691  -9.371
  783    H    GLU 107           H        GLU 107   6.788  -5.993  -5.306
  784    HA   GLU 107           HA       GLU 107   6.118  -8.557  -6.281
  785    HB2  GLU 107           2HB      GLU 107   7.139  -7.660  -3.558
  786    HB3  GLU 107           3HB      GLU 107   6.985  -9.354  -4.023
  787    HG2  GLU 107           2HG      GLU 107   8.714  -7.302  -5.476
  788    HG3  GLU 107           3HG      GLU 107   9.294  -8.485  -4.312
  789    H    LYS 108           H        LYS 108   4.591  -6.653  -3.634
  790    HA   LYS 108           HA       LYS 108   2.712  -8.726  -2.935
  791    HB2  LYS 108           2HB      LYS 108   2.723  -5.707  -2.515
  792    HB3  LYS 108           3HB      LYS 108   1.451  -6.780  -1.908
  793    HG2  LYS 108           2HG      LYS 108   3.050  -8.074  -0.609
  794    HG3  LYS 108           3HG      LYS 108   4.391  -7.094  -1.199
  795    HD2  LYS 108           2HD      LYS 108   3.526  -5.104  -0.130
  796    HD3  LYS 108           3HD      LYS 108   2.032  -5.918   0.355
  797    HE2  LYS 108           2HE      LYS 108   4.704  -7.077   1.184
  798    HE3  LYS 108           3HE      LYS 108   4.079  -5.670   2.047
  799    HZ1  LYS 108           3HZ      LYS 108   2.272  -6.848   2.830
  800    HZ2  LYS 108           1HZ      LYS 108   2.322  -7.995   1.686
  801    HZ3  LYS 108           2HZ      LYS 108   3.446  -7.995   2.897
  802    H    ILE 109           H        ILE 109   2.449  -5.898  -5.195
  803    HA   ILE 109           HA       ILE 109  -0.278  -6.453  -5.832
  804    HB   ILE 109           HB       ILE 109   1.826  -4.946  -7.437
  805   HG12  ILE 109          2HG1      ILE 109  -0.450  -3.709  -5.828
  806   HG13  ILE 109          3HG1      ILE 109   1.066  -4.079  -5.052
  807   HG21  ILE 109          1HG2      ILE 109  -1.239  -4.813  -7.687
  808   HG22  ILE 109          2HG2      ILE 109  -0.052  -3.957  -8.690
  809   HG23  ILE 109          3HG2      ILE 109  -0.224  -5.703  -8.815
  810   HD11  ILE 109          3HD1      ILE 109   2.276  -2.666  -6.723
  811   HD12  ILE 109          1HD1      ILE 109   0.713  -2.220  -7.444
  812   HD13  ILE 109          2HD1      ILE 109   1.082  -1.760  -5.778
  813    H    LYS 110           H        LYS 110   2.800  -7.635  -7.384
  814    HA   LYS 110           HA       LYS 110   1.539  -9.114  -9.475
  815    HB2  LYS 110           2HB      LYS 110   4.048  -9.814  -7.892
  816    HB3  LYS 110           3HB      LYS 110   3.548 -10.599  -9.390
  817    HG2  LYS 110           2HG      LYS 110   4.023  -8.694 -10.722
  818    HG3  LYS 110           3HG      LYS 110   4.248  -7.653  -9.310
  819    HD2  LYS 110           2HD      LYS 110   6.126  -9.152  -8.558
  820    HD3  LYS 110           3HD      LYS 110   5.967 -10.054 -10.076
  821    HE2  LYS 110           2HE      LYS 110   6.552  -8.019 -11.350
  822    HE3  LYS 110           3HE      LYS 110   6.583  -7.075  -9.856
  823    HZ1  LYS 110           3HZ      LYS 110   8.401  -8.535  -9.081
  824    HZ2  LYS 110           1HZ      LYS 110   8.430  -9.284 -10.539
  825    HZ3  LYS 110           2HZ      LYS 110   8.806  -7.699 -10.441
  826    H    ALA 111           H        ALA 111   2.389 -10.086  -6.094
  827    HA   ALA 111           HA       ALA 111   1.485 -12.744  -6.326
  828    HB1  ALA 111           3HB      ALA 111   2.930 -11.929  -4.497
  829    HB2  ALA 111           1HB      ALA 111   1.583 -10.967  -3.845
  830    HB3  ALA 111           2HB      ALA 111   1.485 -12.738  -3.862
  831    H    LYS 112           H        LYS 112  -0.327  -9.786  -5.344
  832    HA   LYS 112           HA       LYS 112  -2.734 -11.333  -4.803
  833    HB2  LYS 112           2HB      LYS 112  -2.056  -8.376  -4.854
  834    HB3  LYS 112           3HB      LYS 112  -3.718  -8.905  -4.643
  835    HG2  LYS 112           2HG      LYS 112  -1.613 -10.127  -2.841
  836    HG3  LYS 112           3HG      LYS 112  -2.093  -8.465  -2.569
  837    HD2  LYS 112           2HD      LYS 112  -3.373  -9.914  -1.135
  838    HD3  LYS 112           3HD      LYS 112  -4.433  -9.088  -2.283
  839    HE2  LYS 112           2HE      LYS 112  -4.546 -11.141  -3.669
  840    HE3  LYS 112           3HE      LYS 112  -3.435 -11.962  -2.559
  841    HZ1  LYS 112           3HZ      LYS 112  -5.117 -11.745  -0.824
  842    HZ2  LYS 112           1HZ      LYS 112  -6.140 -10.976  -1.845
  843    HZ3  LYS 112           2HZ      LYS 112  -5.736 -12.531  -2.106
  844    H    TYR 113           H        TYR 113  -1.435  -9.868  -7.695
  845    HA   TYR 113           HA       TYR 113  -3.988 -10.486  -9.105
  846    HD1  TYR 113           HD2      TYR 113  -5.891  -8.371  -9.681
  847    HD2  TYR 113           HD1      TYR 113  -2.540  -7.014  -7.329
  848    HE1  TYR 113           HE2      TYR 113  -7.440  -7.135  -8.194
  849    HE2  TYR 113           HE1      TYR 113  -4.077  -5.782  -5.833
  850    HH   TYR 113           HH       TYR 113  -6.298  -5.251  -5.355
  851    HB2  TYR 113           2HB      TYR 113  -2.188  -8.069  -9.513
  852    HB3  TYR 113           3HB      TYR 113  -3.552  -8.510 -10.526
  853    HA   PRO 114           HA       PRO 114  -0.160 -12.590 -10.784
  854    HB2  PRO 114           2HB      PRO 114  -1.009 -15.196 -10.826
  855    HB3  PRO 114           3HB      PRO 114  -0.357 -14.398  -9.362
  856    HG2  PRO 114           2HG      PRO 114  -3.270 -14.755 -10.143
  857    HG3  PRO 114           3HG      PRO 114  -2.492 -15.132  -8.570
  858    HD2  PRO 114           2HD      PRO 114  -3.815 -12.790  -8.981
  859    HD3  PRO 114           3HD      PRO 114  -2.318 -12.852  -8.005
  860    H    ASP 115           H        ASP 115  -3.490 -12.414 -11.785
  861    HA   ASP 115           HA       ASP 115  -3.221 -13.436 -14.466
  862    HB2  ASP 115           2HB      ASP 115  -5.380 -13.115 -13.291
  863    HB3  ASP 115           3HB      ASP 115  -5.119 -11.371 -13.282
  864    H    TYR 116           H        TYR 116  -1.801 -10.724 -12.946
  865    HA   TYR 116           HA       TYR 116  -1.292  -9.317 -15.520
  866    HD1  TYR 116           HD1      TYR 116  -4.212  -9.078 -12.872
  867    HD2  TYR 116           HD2      TYR 116  -2.641  -6.352 -15.819
  868    HE1  TYR 116           HE1      TYR 116  -6.514  -8.563 -13.607
  869    HE2  TYR 116           HE2      TYR 116  -4.943  -5.826 -16.568
  870    HH   TYR 116           HH       TYR 116  -7.849  -7.329 -15.075
  871    HB2  TYR 116           2HB      TYR 116  -1.843  -8.143 -12.758
  872    HB3  TYR 116           3HB      TYR 116  -1.222  -7.227 -14.109
  873    H    GLU 117           H        GLU 117   0.651  -7.773 -15.021
  874    HA   GLU 117           HA       GLU 117   2.680  -9.009 -13.235
  875    HB2  GLU 117           2HB      GLU 117   3.087  -9.644 -15.631
  876    HB3  GLU 117           3HB      GLU 117   3.193  -7.926 -16.039
  877    HG2  GLU 117           2HG      GLU 117   5.160  -7.676 -14.593
  878    HG3  GLU 117           3HG      GLU 117   4.972  -9.329 -13.987
  879    H    VAL 118           H        VAL 118   4.383  -7.222 -12.721
  880    HA   VAL 118           HA       VAL 118   3.279  -4.527 -12.889
  881    HB   VAL 118           HB       VAL 118   4.139  -5.519 -10.175
  882   HG11  VAL 118          1HG1      VAL 118   2.203  -3.321 -11.008
  883   HG12  VAL 118          2HG1      VAL 118   2.811  -3.633  -9.375
  884   HG13  VAL 118          3HG1      VAL 118   3.906  -3.068 -10.653
  885   HG21  VAL 118          3HG2      VAL 118   1.229  -5.616 -11.075
  886   HG22  VAL 118          1HG2      VAL 118   2.239  -7.038 -10.753
  887   HG23  VAL 118          2HG2      VAL 118   1.893  -5.931  -9.455
  888    H    THR 119           H        THR 119   4.979  -2.992 -12.876
  889    HA   THR 119           HA       THR 119   7.660  -3.869 -11.975
  890    HB   THR 119           HB       THR 119   8.608  -2.623 -13.977
  891    HG1  THR 119           1HG      THR 119   7.264  -2.429 -15.766
  892   HG21  THR 119          3HG2      THR 119   8.591  -5.093 -13.795
  893   HG22  THR 119          1HG2      THR 119   7.028  -5.145 -14.641
  894   HG23  THR 119          2HG2      THR 119   8.481  -4.528 -15.468
  895    H    TRP 120           H        TRP 120   9.117  -1.744 -11.952
  896    HA   TRP 120           HA       TRP 120   7.525   0.633 -11.472
  897    HD1  TRP 120           HD1      TRP 120   9.053  -2.642  -8.975
  898    HE1  TRP 120           HE1      TRP 120  11.303  -3.053  -7.860
  899    HE3  TRP 120           HE3      TRP 120  10.705   2.213  -8.724
  900    HZ2  TRP 120           HZ2      TRP 120  13.551  -1.477  -6.934
  901    HZ3  TRP 120           HZ3      TRP 120  12.936   2.700  -7.740
  902    HH2  TRP 120           HH2      TRP 120  14.348   0.882  -6.834
  903    HB2  TRP 120           2HB      TRP 120   8.423   1.118  -9.270
  904    HB3  TRP 120           3HB      TRP 120   7.546  -0.393  -9.231
  905    H    ALA 121           H        ALA 121   8.782   2.561 -11.374
  906    HA   ALA 121           HA       ALA 121  11.646   2.481 -11.937
  907    HB1  ALA 121           3HB      ALA 121  10.698   2.186 -14.217
  908    HB2  ALA 121           1HB      ALA 121   9.693   3.633 -13.988
  909    HB3  ALA 121           2HB      ALA 121  11.463   3.780 -14.019
  910    H    ASN 122           H        ASN 122  12.005   3.726 -10.134
  911    HA   ASN 122           HA       ASN 122  10.112   5.677  -9.253
  912    HB2  ASN 122           2HB      ASN 122  11.512   4.447  -7.681
  913    HB3  ASN 122           3HB      ASN 122  12.969   5.237  -8.321
  914   HD21  ASN 122          2HD2      ASN 122   9.644   6.333  -7.204
  915   HD22  ASN 122          1HD2      ASN 122  10.257   7.586  -6.196
  916    H    ASP 123           H        ASP 123  12.459   5.898 -11.691
  917    HA   ASP 123           HA       ASP 123  13.272   8.614 -11.640
  918    HB2  ASP 123           2HB      ASP 123  14.183   6.922 -13.176
  919    HB3  ASP 123           3HB      ASP 123  12.599   6.754 -13.946
  920    H    GLY 124           H        GLY 124  10.170   7.125 -12.464
  921    HA2  GLY 124           2HA      GLY 124   8.980   9.292 -13.902
  922    HA3  GLY 124           1HA      GLY 124   8.114   8.035 -13.016
  923    H    TYR 125           H        TYR 125   7.452  10.873 -13.191
  924    HA   TYR 125           HA       TYR 125   7.192  11.495 -10.333
  925    HD1  TYR 125           HD1      TYR 125  10.082  12.303 -13.311
  926    HD2  TYR 125           HD2      TYR 125   7.166  15.313 -12.271
  927    HE1  TYR 125           HE1      TYR 125  10.485  13.429 -15.475
  928    HE2  TYR 125           HE2      TYR 125   7.562  16.448 -14.434
  929    HH   TYR 125           HH       TYR 125   9.920  15.220 -16.859
  930    HB2  TYR 125           2HB      TYR 125   8.015  13.760 -10.586
  931    HB3  TYR 125           3HB      TYR 125   9.291  12.617 -10.957
  Start of MODEL   19
    1    HA   MET   1           HA       MET   1 -15.678  -9.984  15.890
    2    H1   MET   1           H1       MET   1 -15.644  -7.721  17.719
    3    H2   MET   1           H2       MET   1 -16.712  -8.953  17.625
    4    H3   MET   1           H3       MET   1 -16.717  -7.790  16.468
    5    HB2  MET   1           2HB      MET   1 -13.946  -9.026  14.517
    6    HB3  MET   1           3HB      MET   1 -15.371  -8.000  14.472
    7    HG2  MET   1           2HG      MET   1 -14.273  -6.415  16.052
    8    HG3  MET   1           3HG      MET   1 -12.847  -7.460  16.097
    9    HE1  MET   1           3HE      MET   1 -12.636  -4.388  15.517
   10    HE2  MET   1           1HE      MET   1 -11.236  -5.486  15.498
   11    HE3  MET   1           2HE      MET   1 -11.508  -4.367  14.145
   12    H    ALA   2           H        ALA   2 -13.704 -11.264  16.023
   13    HA   ALA   2           HA       ALA   2 -12.419 -11.347  18.620
   14    HB1  ALA   2           3HB      ALA   2 -12.699 -13.366  17.208
   15    HB2  ALA   2           1HB      ALA   2 -11.652 -12.641  15.960
   16    HB3  ALA   2           2HB      ALA   2 -10.988 -13.053  17.553
   17    H    VAL   3           H        VAL   3 -10.100 -10.981  18.960
   18    HA   VAL   3           HA       VAL   3  -9.137  -8.503  17.946
   19    HB   VAL   3           HB       VAL   3  -8.577  -9.378  20.142
   20   HG11  VAL   3          1HG1      VAL   3  -6.844 -11.477  18.776
   21   HG12  VAL   3          2HG1      VAL   3  -6.938 -11.150  20.516
   22   HG13  VAL   3          3HG1      VAL   3  -8.347 -11.796  19.669
   23   HG21  VAL   3          3HG2      VAL   3  -6.062  -9.068  18.479
   24   HG22  VAL   3          1HG2      VAL   3  -7.079  -7.726  19.065
   25   HG23  VAL   3          2HG2      VAL   3  -6.237  -8.771  20.218
   26    H    ALA   4           H        ALA   4  -7.652  -8.021  16.331
   27    HA   ALA   4           HA       ALA   4  -7.546  -9.838  14.092
   28    HB1  ALA   4           3HB      ALA   4  -7.772  -7.370  13.863
   29    HB2  ALA   4           1HB      ALA   4  -6.133  -7.165  14.524
   30    HB3  ALA   4           2HB      ALA   4  -6.376  -7.994  12.977
   31    H    ASP   5           H        ASP   5  -5.289  -9.888  12.905
   32    HA   ASP   5           HA       ASP   5  -2.899 -10.146  14.523
   33    HB2  ASP   5           2HB      ASP   5  -3.776 -12.446  14.750
   34    HB3  ASP   5           3HB      ASP   5  -4.050 -12.537  13.009
   35    H    LEU   6           H        LEU   6  -1.044  -9.997  13.003
   36    HA   LEU   6           HA       LEU   6  -1.529  -8.253  10.875
   37    HG   LEU   6           HG       LEU   6   0.709  -8.613  13.249
   38    HB2  LEU   6           2HB      LEU   6   0.861 -10.093  11.317
   39    HB3  LEU   6           3HB      LEU   6   0.800  -8.729  10.218
   40   HD11  LEU   6          1HD1      LEU   6   2.717  -7.433  11.289
   41   HD12  LEU   6          2HD1      LEU   6   2.852  -7.519  13.053
   42   HD13  LEU   6          3HD1      LEU   6   2.934  -8.998  12.092
   43   HD21  LEU   6          3HD2      LEU   6   0.425  -6.349  11.226
   44   HD22  LEU   6          1HD2      LEU   6  -0.758  -6.836  12.464
   45   HD23  LEU   6          2HD2      LEU   6   0.772  -6.119  12.954
   46    H    ALA   7           H        ALA   7  -1.364 -11.836  10.784
   47    HA   ALA   7           HA       ALA   7  -1.134 -11.988   7.945
   48    HB1  ALA   7           3HB      ALA   7  -0.502 -13.833   9.468
   49    HB2  ALA   7           1HB      ALA   7  -2.211 -14.031   9.932
   50    HB3  ALA   7           2HB      ALA   7  -1.696 -14.358   8.266
   51    H    LEU   8           H        LEU   8  -3.855 -11.393  10.091
   52    HA   LEU   8           HA       LEU   8  -5.886 -12.319   8.176
   53    HG   LEU   8           HG       LEU   8  -5.330 -13.159  11.142
   54    HB2  LEU   8           2HB      LEU   8  -6.138 -10.804  10.809
   55    HB3  LEU   8           3HB      LEU   8  -7.481 -11.420   9.860
   56   HD11  LEU   8          1HD1      LEU   8  -8.225 -12.664  11.959
   57   HD12  LEU   8          2HD1      LEU   8  -7.100 -13.810  12.724
   58   HD13  LEU   8          3HD1      LEU   8  -6.781 -12.075  12.810
   59   HD21  LEU   8          3HD2      LEU   8  -7.908 -13.921   9.700
   60   HD22  LEU   8          1HD2      LEU   8  -6.248 -14.275   9.166
   61   HD23  LEU   8          2HD2      LEU   8  -6.879 -15.038  10.624
   62    H    ILE   9           H        ILE   9  -4.163  -9.335   8.890
   63    HA   ILE   9           HA       ILE   9  -6.124  -7.516   7.896
   64    HB   ILE   9           HB       ILE   9  -3.109  -7.181   7.803
   65   HG12  ILE   9          2HG1      ILE   9  -5.026  -6.358  10.043
   66   HG13  ILE   9          3HG1      ILE   9  -3.935  -7.742  10.123
   67   HG21  ILE   9          1HG2      ILE   9  -5.350  -5.115   7.874
   68   HG22  ILE   9          2HG2      ILE   9  -3.608  -4.759   7.833
   69   HG23  ILE   9          3HG2      ILE   9  -4.371  -5.524   6.454
   70   HD11  ILE   9          3HD1      ILE   9  -1.993  -6.160   9.776
   71   HD12  ILE   9          1HD1      ILE   9  -3.146  -4.827  10.049
   72   HD13  ILE   9          2HD1      ILE   9  -2.866  -6.033  11.314
   73    HA   PRO  10           HA       PRO  10  -5.930  -8.681   3.477
   74    HB2  PRO  10           2HB      PRO  10  -6.635  -5.738   3.333
   75    HB3  PRO  10           3HB      PRO  10  -7.291  -7.091   2.349
   76    HG2  PRO  10           2HG      PRO  10  -8.725  -6.124   4.424
   77    HG3  PRO  10           3HG      PRO  10  -8.567  -7.901   4.222
   78    HD2  PRO  10           2HD      PRO  10  -7.038  -6.075   6.089
   79    HD3  PRO  10           3HD      PRO  10  -7.748  -7.687   6.409
   80    H    ASP  11           H        ASP  11  -4.251  -8.478   1.951
   81    HA   ASP  11           HA       ASP  11  -1.937  -7.023   2.978
   82    HB2  ASP  11           2HB      ASP  11  -2.051  -9.453   2.115
   83    HB3  ASP  11           3HB      ASP  11  -1.989  -8.750   0.494
   84    H    VAL  12           H        VAL  12  -4.041  -6.843   0.101
   85    HA   VAL  12           HA       VAL  12  -2.858  -4.217  -0.612
   86    HB   VAL  12           HB       VAL  12  -3.436  -6.445  -2.605
   87   HG11  VAL  12          1HG1      VAL  12  -2.161  -3.688  -2.956
   88   HG12  VAL  12          2HG1      VAL  12  -2.270  -4.929  -4.218
   89   HG13  VAL  12          3HG1      VAL  12  -3.741  -4.205  -3.571
   90   HG21  VAL  12          3HG2      VAL  12  -0.738  -5.466  -1.619
   91   HG22  VAL  12          1HG2      VAL  12  -1.416  -7.100  -1.439
   92   HG23  VAL  12          2HG2      VAL  12  -1.001  -6.510  -3.042
   93    H    ASP  13           H        ASP  13  -4.455  -2.765  -1.258
   94    HA   ASP  13           HA       ASP  13  -6.956  -3.687  -2.385
   95    HB2  ASP  13           2HB      ASP  13  -7.558  -3.762   0.013
   96    HB3  ASP  13           3HB      ASP  13  -7.067  -2.080   0.198
   97    H    ILE  14           H        ILE  14  -6.919  -2.442  -4.144
   98    HA   ILE  14           HA       ILE  14  -6.187   0.392  -3.987
   99    HB   ILE  14           HB       ILE  14  -4.711   0.158  -5.980
  100   HG12  ILE  14          2HG1      ILE  14  -4.661  -2.826  -5.318
  101   HG13  ILE  14          3HG1      ILE  14  -5.464  -2.124  -6.719
  102   HG21  ILE  14          1HG2      ILE  14  -3.659  -1.317  -3.538
  103   HG22  ILE  14          2HG2      ILE  14  -2.727  -0.363  -4.711
  104   HG23  ILE  14          3HG2      ILE  14  -3.878   0.440  -3.649
  105   HD11  ILE  14          3HD1      ILE  14  -3.257  -1.235  -7.508
  106   HD12  ILE  14          1HD1      ILE  14  -2.470  -2.097  -6.162
  107   HD13  ILE  14          2HD1      ILE  14  -3.330  -3.005  -7.409
  108    H    ASP  15           H        ASP  15  -8.700  -0.665  -4.106
  109    HA   ASP  15           HA       ASP  15  -9.777  -1.009  -6.718
  110    HB2  ASP  15           2HB      ASP  15 -10.931  -1.830  -4.767
  111    HB3  ASP  15           3HB      ASP  15 -11.069  -0.200  -4.097
  112    H    SER  16           H        SER  16  -8.776   0.675  -7.926
  113    HA   SER  16           HA       SER  16 -10.522   2.912  -8.429
  114    HG   SER  16           HG       SER  16  -9.891   3.403  -6.173
  115    HB2  SER  16           2HB      SER  16  -7.702   3.321  -7.340
  116    HB3  SER  16           3HB      SER  16  -8.524   4.544  -8.332
  117    H    ASP  17           H        ASP  17  -9.285   4.189 -10.381
  118    HA   ASP  17           HA       ASP  17  -7.831   2.318 -12.133
  119    HB2  ASP  17           2HB      ASP  17 -10.219   1.830 -12.538
  120    HB3  ASP  17           3HB      ASP  17 -10.542   3.549 -12.784
  121    H    GLY  18           H        GLY  18  -7.081   3.493 -14.098
  122    HA2  GLY  18           2HA      GLY  18  -5.924   5.248 -15.051
  123    HA3  GLY  18           1HA      GLY  18  -6.935   6.381 -14.145
  124    H    VAL  19           H        VAL  19  -4.894   7.597 -13.817
  125    HA   VAL  19           HA       VAL  19  -2.794   6.550 -12.125
  126    HB   VAL  19           HB       VAL  19  -3.622   9.453 -12.579
  127   HG11  VAL  19          1HG1      VAL  19  -0.947   8.208 -11.796
  128   HG12  VAL  19          2HG1      VAL  19  -1.255   9.941 -12.096
  129   HG13  VAL  19          3HG1      VAL  19  -2.015   9.144 -10.728
  130   HG21  VAL  19          3HG2      VAL  19  -1.688   7.804 -14.251
  131   HG22  VAL  19          1HG2      VAL  19  -3.241   8.464 -14.798
  132   HG23  VAL  19          2HG2      VAL  19  -1.927   9.556 -14.371
  133    H    PHE  20           H        PHE  20  -2.764   6.508  -9.843
  134    HA   PHE  20           HA       PHE  20  -4.267   8.457  -8.342
  135    HD1  PHE  20           HD1      PHE  20  -4.174   4.833  -6.086
  136    HD2  PHE  20           HD2      PHE  20  -6.024   4.977  -9.976
  137    HE1  PHE  20           HE1      PHE  20  -4.018   2.370  -6.249
  138    HE2  PHE  20           HE2      PHE  20  -5.845   2.509 -10.148
  139    HZ   PHE  20           HZ       PHE  20  -4.854   1.196  -8.282
  140    HB2  PHE  20           2HB      PHE  20  -5.420   6.854  -6.873
  141    HB3  PHE  20           3HB      PHE  20  -6.088   6.915  -8.485
  142    H    LYS  21           H        LYS  21  -3.558   8.467  -6.051
  143    HA   LYS  21           HA       LYS  21  -0.724   7.715  -5.880
  144    HB2  LYS  21           2HB      LYS  21  -2.602   9.348  -4.132
  145    HB3  LYS  21           3HB      LYS  21  -1.026   8.833  -3.580
  146    HG2  LYS  21           2HG      LYS  21  -0.747  11.028  -4.329
  147    HG3  LYS  21           3HG      LYS  21   0.049   9.989  -5.514
  148    HD2  LYS  21           2HD      LYS  21  -1.877  10.259  -7.051
  149    HD3  LYS  21           3HD      LYS  21  -2.713  11.258  -5.856
  150    HE2  LYS  21           2HE      LYS  21  -0.051  11.900  -7.222
  151    HE3  LYS  21           3HE      LYS  21  -1.625  12.557  -7.677
  152    HZ1  LYS  21           3HZ      LYS  21  -1.752  13.562  -5.438
  153    HZ2  LYS  21           1HZ      LYS  21  -0.225  13.061  -5.121
  154    HZ3  LYS  21           2HZ      LYS  21  -0.496  14.134  -6.320
  155    H    TYR  22           H        TYR  22   0.104   6.530  -4.041
  156    HA   TYR  22           HA       TYR  22  -1.752   4.893  -2.503
  157    HD1  TYR  22           HD2      TYR  22   1.645   4.283  -5.205
  158    HD2  TYR  22           HD1      TYR  22   0.229   1.711  -2.059
  159    HE1  TYR  22           HE2      TYR  22   3.985   3.648  -4.673
  160    HE2  TYR  22           HE1      TYR  22   2.544   1.046  -1.533
  161    HH   TYR  22           HH       TYR  22   4.785   1.453  -1.955
  162    HB2  TYR  22           2HB      TYR  22  -1.293   2.879  -3.431
  163    HB3  TYR  22           3HB      TYR  22  -0.826   3.781  -4.851
  164    H    VAL  23           H        VAL  23  -0.493   3.746  -0.728
  165    HA   VAL  23           HA       VAL  23   2.177   4.870  -0.201
  166    HB   VAL  23           HB       VAL  23   1.599   5.108   2.228
  167   HG11  VAL  23          1HG1      VAL  23   0.192   7.021   0.331
  168   HG12  VAL  23          2HG1      VAL  23   0.622   7.355   2.024
  169   HG13  VAL  23          3HG1      VAL  23   1.891   7.068   0.828
  170   HG21  VAL  23          3HG2      VAL  23  -1.284   4.975   1.251
  171   HG22  VAL  23          1HG2      VAL  23  -0.488   3.838   2.335
  172   HG23  VAL  23          2HG2      VAL  23  -0.763   5.514   2.856
  173    H    LEU  24           H        LEU  24   3.461   3.619   1.112
  174    HA   LEU  24           HA       LEU  24   2.707   0.734   1.248
  175    HG   LEU  24           HG       LEU  24   6.356  -0.102   0.689
  176    HB2  LEU  24           2HB      LEU  24   4.797   1.655  -0.076
  177    HB3  LEU  24           3HB      LEU  24   5.495   1.961   1.486
  178   HD11  LEU  24          1HD1      LEU  24   4.204  -1.025   2.631
  179   HD12  LEU  24          2HD1      LEU  24   5.826  -1.693   2.372
  180   HD13  LEU  24          3HD1      LEU  24   5.641  -0.103   3.128
  181   HD21  LEU  24          3HD2      LEU  24   3.517  -1.118   0.288
  182   HD22  LEU  24          1HD2      LEU  24   4.587  -0.516  -1.001
  183   HD23  LEU  24          2HD2      LEU  24   5.025  -1.963  -0.103
  184    H    ILE  25           H        ILE  25   2.108   0.217   3.368
  185    HA   ILE  25           HA       ILE  25   3.185   1.956   5.557
  186    HB   ILE  25           HB       ILE  25   0.391   0.871   5.155
  187   HG12  ILE  25          2HG1      ILE  25   1.458   3.693   5.631
  188   HG13  ILE  25          3HG1      ILE  25   0.993   3.042   4.060
  189   HG21  ILE  25          1HG2      ILE  25   1.574   2.135   7.665
  190   HG22  ILE  25          2HG2      ILE  25  -0.145   1.745   7.421
  191   HG23  ILE  25          3HG2      ILE  25   1.025   0.452   7.501
  192   HD11  ILE  25          3HD1      ILE  25  -1.339   2.718   4.913
  193   HD12  ILE  25          1HD1      ILE  25  -0.866   3.563   6.414
  194   HD13  ILE  25          2HD1      ILE  25  -0.807   4.407   4.872
  195    H    ARG  26           H        ARG  26   4.331   0.974   6.980
  196    HA   ARG  26           HA       ARG  26   4.471  -1.972   7.113
  197    HE   ARG  26           HE       ARG  26   7.980   0.156   9.668
  198    HB2  ARG  26           2HB      ARG  26   6.522  -0.501   7.215
  199    HB3  ARG  26           3HB      ARG  26   5.927   0.194   8.720
  200    HG2  ARG  26           2HG      ARG  26   6.162  -1.874   9.898
  201    HG3  ARG  26           3HG      ARG  26   6.256  -2.813   8.409
  202    HD2  ARG  26           2HD      ARG  26   8.429  -2.686   9.496
  203    HD3  ARG  26           3HD      ARG  26   8.450  -1.952   7.887
  204   HH11  ARG  26          1HH2      ARG  26  10.551  -2.253   9.200
  205   HH12  ARG  26          2HH2      ARG  26  11.822  -1.200   9.693
  206   HH21  ARG  26          1HH1      ARG  26   9.696   1.612  10.202
  207   HH22  ARG  26          2HH1      ARG  26  11.318   1.016  10.326
  208    H    VAL  27           H        VAL  27   3.802  -3.044   8.986
  209    HA   VAL  27           HA       VAL  27   2.024  -1.637  10.894
  210    HB   VAL  27           HB       VAL  27   1.486  -4.349   9.601
  211   HG11  VAL  27          1HG1      VAL  27  -0.370  -2.420  11.047
  212   HG12  VAL  27          2HG1      VAL  27  -0.791  -4.024  10.431
  213   HG13  VAL  27          3HG1      VAL  27   0.354  -3.869  11.768
  214   HG21  VAL  27          3HG2      VAL  27   0.317  -1.698   8.667
  215   HG22  VAL  27          1HG2      VAL  27   1.338  -2.806   7.719
  216   HG23  VAL  27          2HG2      VAL  27  -0.278  -3.307   8.200
  217    H    HIS  28           H        HIS  28   2.225  -2.592  12.998
  218    HA   HIS  28           HA       HIS  28   4.205  -4.812  13.322
  219    HD1  HIS  28           HD1      HIS  28   6.942  -3.707  13.162
  220    HD2  HIS  28           HD2      HIS  28   4.507  -0.307  13.652
  221    HE1  HIS  28           HE1      HIS  28   8.115  -1.800  11.950
  222    HB2  HIS  28           2HB      HIS  28   3.850  -2.385  15.120
  223    HB3  HIS  28           3HB      HIS  28   5.045  -3.671  15.290
  224    H    SER  29           H        SER  29   3.700  -6.240  15.077
  225    HA   SER  29           HA       SER  29   1.015  -6.741  15.610
  226    HG   SER  29           HG       SER  29   2.295  -9.150  15.251
  227    HB2  SER  29           2HB      SER  29   3.391  -7.569  17.286
  228    HB3  SER  29           3HB      SER  29   1.811  -8.372  17.216
  229    H    ALA  30           H        ALA  30  -0.163  -5.085  16.445
  230    HA   ALA  30           HA       ALA  30  -0.008  -4.855  19.359
  231    HB1  ALA  30           3HB      ALA  30   1.142  -2.838  18.500
  232    HB2  ALA  30           1HB      ALA  30  -0.297  -2.417  17.551
  233    HB3  ALA  30           2HB      ALA  30  -0.367  -2.424  19.323
  234    HA   PRO  31           HA       PRO  31  -4.410  -4.978  17.079
  235    HB2  PRO  31           2HB      PRO  31  -4.176  -7.878  17.930
  236    HB3  PRO  31           3HB      PRO  31  -5.282  -7.158  16.721
  237    HG2  PRO  31           2HG      PRO  31  -2.944  -8.320  15.955
  238    HG3  PRO  31           3HG      PRO  31  -3.499  -6.797  15.192
  239    HD2  PRO  31           2HD      PRO  31  -1.345  -7.217  17.229
  240    HD3  PRO  31           3HD      PRO  31  -1.494  -6.008  15.917
  241    H    ARG  32           H        ARG  32  -6.002  -4.451  18.255
  242    HA   ARG  32           HA       ARG  32  -6.506  -3.149  19.963
  243    HE   ARG  32           HE       ARG  32  -7.621  -1.626  21.928
  244    HB2  ARG  32           2HB      ARG  32  -8.194  -4.948  19.416
  245    HB3  ARG  32           3HB      ARG  32  -7.749  -5.724  20.931
  246    HG2  ARG  32           2HG      ARG  32  -9.789  -4.359  21.101
  247    HG3  ARG  32           3HG      ARG  32  -8.561  -3.767  22.201
  248    HD2  ARG  32           2HD      ARG  32  -9.041  -2.522  19.461
  249    HD3  ARG  32           3HD      ARG  32  -9.967  -2.048  20.889
  250   HH11  ARG  32          1HH1      ARG  32  -8.684  -0.652  18.648
  251   HH12  ARG  32          2HH1      ARG  32  -7.390   0.474  18.445
  252   HH21  ARG  32          1HH2      ARG  32  -5.796  -0.263  21.507
  253   HH22  ARG  32          2HH2      ARG  32  -5.864   0.839  20.179
  254    H    SER  33           H        SER  33  -3.979  -3.332  20.569
  255    HA   SER  33           HA       SER  33  -2.497  -2.985  22.187
  256    HG   SER  33           HG       SER  33  -4.357  -0.215  23.172
  257    HB2  SER  33           2HB      SER  33  -4.826  -2.440  24.055
  258    HB3  SER  33           3HB      SER  33  -3.199  -1.753  24.101
  259    H    GLY  34           H        GLY  34  -3.609  -5.816  21.955
  260    HA2  GLY  34           2HA      GLY  34  -2.738  -6.826  24.632
  261    HA3  GLY  34           1HA      GLY  34  -4.330  -7.227  23.982
  262    H    ALA  35           H        ALA  35  -2.588  -7.251  21.193
  263    HA   ALA  35           HA       ALA  35  -2.305 -10.046  21.011
  264    HB1  ALA  35           3HB      ALA  35  -2.395  -8.595  19.054
  265    HB2  ALA  35           1HB      ALA  35  -0.833  -7.855  19.488
  266    HB3  ALA  35           2HB      ALA  35  -0.915  -9.565  19.013
  267    HA   PRO  36           HA       PRO  36   1.542 -10.427  23.373
  268    HB2  PRO  36           2HB      PRO  36   2.011 -13.101  23.140
  269    HB3  PRO  36           3HB      PRO  36   0.648 -12.451  24.100
  270    HG2  PRO  36           2HG      PRO  36   0.585 -13.492  21.247
  271    HG3  PRO  36           3HG      PRO  36  -0.508 -13.916  22.603
  272    HD2  PRO  36           2HD      PRO  36  -1.152 -12.016  20.738
  273    HD3  PRO  36           3HD      PRO  36  -1.651 -11.866  22.449
  274    H    ALA  37           H        ALA  37   1.215 -11.192  19.969
  275    HA   ALA  37           HA       ALA  37   3.917 -11.908  19.376
  276    HB1  ALA  37           3HB      ALA  37   2.034 -12.406  17.872
  277    HB2  ALA  37           1HB      ALA  37   1.744 -10.668  17.624
  278    HB3  ALA  37           2HB      ALA  37   3.243 -11.415  17.039
  279    H    ALA  38           H        ALA  38   5.426 -10.600  18.086
  280    HA   ALA  38           HA       ALA  38   5.286  -7.683  18.235
  281    HB1  ALA  38           3HB      ALA  38   6.212  -8.226  20.445
  282    HB2  ALA  38           1HB      ALA  38   7.487  -9.210  19.686
  283    HB3  ALA  38           2HB      ALA  38   7.420  -7.451  19.405
  284    H    GLU  39           H        GLU  39   4.972  -8.704  15.963
  285    HA   GLU  39           HA       GLU  39   7.592  -8.765  14.574
  286    HB2  GLU  39           2HB      GLU  39   6.593 -10.365  12.950
  287    HB3  GLU  39           3HB      GLU  39   6.902 -11.040  14.548
  288    HG2  GLU  39           2HG      GLU  39   4.508 -10.897  15.102
  289    HG3  GLU  39           3HG      GLU  39   4.181 -10.131  13.546
  290    H    SER  40           H        SER  40   6.686  -8.589  11.988
  291    HA   SER  40           HA       SER  40   4.949  -6.219  11.898
  292    HG   SER  40           HG       SER  40   8.517  -5.317  12.395
  293    HB2  SER  40           2HB      SER  40   7.713  -6.231  10.684
  294    HB3  SER  40           3HB      SER  40   6.602  -4.868  10.778
  295    H    LYS  41           H        LYS  41   4.431  -5.588   9.698
  296    HA   LYS  41           HA       LYS  41   4.588  -7.566   7.534
  297    HB2  LYS  41           2HB      LYS  41   2.805  -8.405   8.987
  298    HB3  LYS  41           3HB      LYS  41   2.048  -6.825   9.070
  299    HG2  LYS  41           2HG      LYS  41   2.252  -7.916   6.302
  300    HG3  LYS  41           3HG      LYS  41   1.354  -8.937   7.428
  301    HD2  LYS  41           2HD      LYS  41  -0.103  -7.054   8.067
  302    HD3  LYS  41           3HD      LYS  41   0.795  -5.979   6.999
  303    HE2  LYS  41           2HE      LYS  41  -1.317  -6.625   6.006
  304    HE3  LYS  41           3HE      LYS  41   0.028  -7.212   5.020
  305    HZ1  LYS  41           3HZ      LYS  41  -0.426  -9.392   5.663
  306    HZ2  LYS  41           1HZ      LYS  41  -1.304  -8.970   6.997
  307    HZ3  LYS  41           2HZ      LYS  41  -1.937  -8.767   5.510
  308    H    GLU  42           H        GLU  42   3.394  -6.452   5.554
  309    HA   GLU  42           HA       GLU  42   3.311  -3.502   5.870
  310    HB2  GLU  42           2HB      GLU  42   4.711  -4.963   3.590
  311    HB3  GLU  42           3HB      GLU  42   4.394  -3.242   3.688
  312    HG2  GLU  42           2HG      GLU  42   6.640  -3.425   4.246
  313    HG3  GLU  42           3HG      GLU  42   5.830  -3.161   5.779
  314    H    ILE  43           H        ILE  43   1.913  -2.484   4.346
  315    HA   ILE  43           HA       ILE  43   0.175  -4.242   2.723
  316    HB   ILE  43           HB       ILE  43  -1.788  -2.914   3.435
  317   HG12  ILE  43          2HG1      ILE  43  -0.047  -1.839   5.684
  318   HG13  ILE  43          3HG1      ILE  43  -0.671  -0.916   4.312
  319   HG21  ILE  43          1HG2      ILE  43  -0.508  -4.364   5.769
  320   HG22  ILE  43          2HG2      ILE  43  -2.243  -4.203   5.415
  321   HG23  ILE  43          3HG2      ILE  43  -1.224  -5.163   4.344
  322   HD11  ILE  43          3HD1      ILE  43  -3.002  -1.369   5.079
  323   HD12  ILE  43          1HD1      ILE  43  -2.348  -2.194   6.514
  324   HD13  ILE  43          2HD1      ILE  43  -2.029  -0.477   6.265
  325    H    VAL  44           H        VAL  44  -0.890  -3.182   1.036
  326    HA   VAL  44           HA       VAL  44   0.302  -0.592   0.115
  327    HB   VAL  44           HB       VAL  44  -0.591  -3.115  -1.345
  328   HG11  VAL  44          1HG1      VAL  44   0.386  -0.553  -2.664
  329   HG12  VAL  44          2HG1      VAL  44  -0.035  -2.075  -3.466
  330   HG13  VAL  44          3HG1      VAL  44  -1.296  -1.128  -2.677
  331   HG21  VAL  44          3HG2      VAL  44   2.116  -1.741  -1.420
  332   HG22  VAL  44          1HG2      VAL  44   1.735  -3.127  -0.380
  333   HG23  VAL  44          2HG2      VAL  44   1.672  -3.300  -2.140
  334    H    ARG  45           H        ARG  45  -1.233   1.002   0.165
  335    HA   ARG  45           HA       ARG  45  -4.045   0.324  -0.534
  336    HE   ARG  45           HE       ARG  45  -4.175  -1.929   0.883
  337    HB2  ARG  45           2HB      ARG  45  -3.136   2.223   1.687
  338    HB3  ARG  45           3HB      ARG  45  -4.763   2.184   1.032
  339    HG2  ARG  45           2HG      ARG  45  -3.411   0.020   2.673
  340    HG3  ARG  45           3HG      ARG  45  -4.741   1.068   3.139
  341    HD2  ARG  45           2HD      ARG  45  -6.180  -0.495   2.536
  342    HD3  ARG  45           3HD      ARG  45  -5.747  -0.175   0.860
  343   HH11  ARG  45          1HH2      ARG  45  -6.128  -1.907   3.868
  344   HH12  ARG  45          2HH2      ARG  45  -5.543  -3.435   4.412
  345   HH21  ARG  45          1HH1      ARG  45  -3.390  -3.929   1.637
  346   HH22  ARG  45          2HH1      ARG  45  -3.982  -4.610   3.111
  347    H    GLY  46           H        GLY  46  -4.982   1.929  -1.905
  348    HA2  GLY  46           2HA      GLY  46  -4.009   4.574  -2.113
  349    HA3  GLY  46           1HA      GLY  46  -3.300   3.611  -3.425
  350    H    TYR  47           H        TYR  47  -5.406   5.810  -3.415
  351    HA   TYR  47           HA       TYR  47  -7.429   4.427  -5.023
  352    HD1  TYR  47           HD1      TYR  47  -6.957   4.931  -0.849
  353    HD2  TYR  47           HD2      TYR  47  -9.519   2.636  -3.446
  354    HE1  TYR  47           HE1      TYR  47  -6.918   3.064   0.782
  355    HE2  TYR  47           HE2      TYR  47  -9.463   0.744  -1.839
  356    HH   TYR  47           HH       TYR  47  -7.806   0.984   1.336
  357    HB2  TYR  47           2HB      TYR  47  -8.279   6.008  -2.571
  358    HB3  TYR  47           3HB      TYR  47  -9.307   5.101  -3.664
  359    H    LYS  48           H        LYS  48  -8.770   5.905  -6.150
  360    HA   LYS  48           HA       LYS  48  -7.680   8.341  -7.041
  361    HB2  LYS  48           2HB      LYS  48 -10.295   6.906  -7.220
  362    HB3  LYS  48           3HB      LYS  48 -10.447   8.640  -7.370
  363    HG2  LYS  48           2HG      LYS  48  -8.579   6.957  -9.093
  364    HG3  LYS  48           3HG      LYS  48 -10.220   7.455  -9.532
  365    HD2  LYS  48           2HD      LYS  48  -9.432   9.883  -9.085
  366    HD3  LYS  48           3HD      LYS  48  -7.787   9.246  -9.133
  367    HE2  LYS  48           2HE      LYS  48  -9.877   9.000 -11.351
  368    HE3  LYS  48           3HE      LYS  48  -8.594  10.210 -11.290
  369    HZ1  LYS  48           3HZ      LYS  48  -6.977   8.369 -11.345
  370    HZ2  LYS  48           1HZ      LYS  48  -8.190   7.281 -11.556
  371    HZ3  LYS  48           2HZ      LYS  48  -7.923   8.432 -12.686
  372    H    TRP  49           H        TRP  49  -9.949   7.806  -4.289
  373    HA   TRP  49           HA       TRP  49 -10.495  10.581  -3.982
  374    HD1  TRP  49           HD1      TRP  49 -12.457   6.715  -3.090
  375    HE1  TRP  49           HE1      TRP  49 -11.822   4.749  -1.601
  376    HE3  TRP  49           HE3      TRP  49  -9.005   9.045  -0.101
  377    HZ2  TRP  49           HZ2      TRP  49 -10.067   4.249   0.664
  378    HZ3  TRP  49           HZ3      TRP  49  -7.785   7.775   1.611
  379    HH2  TRP  49           HH2      TRP  49  -8.293   5.362   2.009
  380    HB2  TRP  49           2HB      TRP  49 -11.322   9.909  -1.697
  381    HB3  TRP  49           3HB      TRP  49 -12.090   9.205  -3.097
  382    H    ALA  50           H        ALA  50  -7.715   8.684  -2.849
  383    HA   ALA  50           HA       ALA  50  -6.857  10.860  -1.069
  384    HB1  ALA  50           3HB      ALA  50  -6.352   8.666  -0.324
  385    HB2  ALA  50           1HB      ALA  50  -5.525   8.252  -1.858
  386    HB3  ALA  50           2HB      ALA  50  -4.850   9.486  -0.759
  387    H    GLU  51           H        GLU  51  -7.009  12.479  -2.760
  388    HA   GLU  51           HA       GLU  51  -5.317  12.487  -5.053
  389    HB2  GLU  51           2HB      GLU  51  -7.298  13.934  -4.662
  390    HB3  GLU  51           3HB      GLU  51  -6.419  14.814  -3.410
  391    HG2  GLU  51           2HG      GLU  51  -4.813  15.644  -5.074
  392    HG3  GLU  51           3HG      GLU  51  -5.541  14.630  -6.326
  393    H    TYR  52           H        TYR  52  -4.532  12.775  -1.690
  394    HA   TYR  52           HA       TYR  52  -1.745  13.522  -2.300
  395    HD1  TYR  52           HD1      TYR  52  -4.553  15.938  -2.087
  396    HD2  TYR  52           HD2      TYR  52  -3.552  14.439   1.815
  397    HE1  TYR  52           HE1      TYR  52  -6.775  16.693  -1.245
  398    HE2  TYR  52           HE2      TYR  52  -5.754  15.186   2.684
  399    HH   TYR  52           HH       TYR  52  -8.191  16.824   0.604
  400    HB2  TYR  52           2HB      TYR  52  -1.869  14.622   0.084
  401    HB3  TYR  52           3HB      TYR  52  -2.210  15.510  -1.385
  402    H    HIS  53           H        HIS  53  -0.232  12.590  -0.586
  403    HA   HIS  53           HA       HIS  53  -1.068   9.785  -0.348
  404    HD2  HIS  53           HD2      HIS  53   1.659  12.622  -1.800
  405    HE1  HIS  53           HE1      HIS  53   2.569   9.365  -4.353
  406    HE2  HIS  53           HE2      HIS  53   2.592  11.885  -4.140
  407    HB2  HIS  53           2HB      HIS  53   1.544  11.107   0.488
  408    HB3  HIS  53           3HB      HIS  53   1.238   9.398   0.290
  409    H    ALA  54           H        ALA  54  -0.369  12.614   1.702
  410    HA   ALA  54           HA       ALA  54  -0.540  11.426   4.234
  411    HB1  ALA  54           3HB      ALA  54  -0.012  13.815   3.857
  412    HB2  ALA  54           1HB      ALA  54  -1.702  14.115   3.386
  413    HB3  ALA  54           2HB      ALA  54  -1.313  13.614   5.044
  414    H    ASP  55           H        ASP  55  -3.227  11.860   1.917
  415    HA   ASP  55           HA       ASP  55  -5.302  11.843   3.897
  416    HB2  ASP  55           2HB      ASP  55  -5.523  12.548   1.422
  417    HB3  ASP  55           3HB      ASP  55  -5.578  10.850   1.039
  418    H    ILE  56           H        ILE  56  -3.924   9.256   1.811
  419    HA   ILE  56           HA       ILE  56  -5.469   7.166   3.060
  420    HB   ILE  56           HB       ILE  56  -3.394   5.778   2.068
  421   HG12  ILE  56          2HG1      ILE  56  -3.220   8.356   0.502
  422   HG13  ILE  56          3HG1      ILE  56  -1.958   7.346   1.209
  423   HG21  ILE  56          1HG2      ILE  56  -5.729   6.718   0.417
  424   HG22  ILE  56          2HG2      ILE  56  -4.796   5.215   0.224
  425   HG23  ILE  56          3HG2      ILE  56  -5.761   5.459   1.667
  426   HD11  ILE  56          3HD1      ILE  56  -2.505   5.617  -0.544
  427   HD12  ILE  56          1HD1      ILE  56  -3.673   6.752  -1.255
  428   HD13  ILE  56          2HD1      ILE  56  -1.949   7.168  -1.214
  429    H    TYR  57           H        TYR  57  -2.179   8.574   3.686
  430    HA   TYR  57           HA       TYR  57  -1.497   6.510   5.494
  431    HD1  TYR  57           HD2      TYR  57   0.311   5.887   6.544
  432    HD2  TYR  57           HD1      TYR  57   0.709  10.105   7.362
  433    HE1  TYR  57           HE2      TYR  57   1.658   5.362   8.531
  434    HE2  TYR  57           HE1      TYR  57   2.112   9.592   9.332
  435    HH   TYR  57           HH       TYR  57   3.104   7.907  10.619
  436    HB2  TYR  57           2HB      TYR  57   0.153   8.134   4.685
  437    HB3  TYR  57           3HB      TYR  57  -0.660   9.426   5.570
  438    H    ASP  58           H        ASP  58  -3.210   9.637   6.150
  439    HA   ASP  58           HA       ASP  58  -3.530   9.164   8.927
  440    HB2  ASP  58           2HB      ASP  58  -3.852  11.366   7.938
  441    HB3  ASP  58           3HB      ASP  58  -5.228  10.782   6.994
  442    H    LYS  59           H        LYS  59  -5.758   8.449   6.175
  443    HA   LYS  59           HA       LYS  59  -7.891   7.408   7.756
  444    HB2  LYS  59           2HB      LYS  59  -8.171   8.168   5.505
  445    HB3  LYS  59           3HB      LYS  59  -7.054   6.962   4.862
  446    HG2  LYS  59           2HG      LYS  59  -8.566   5.235   4.987
  447    HG3  LYS  59           3HG      LYS  59  -9.428   5.916   6.388
  448    HD2  LYS  59           2HD      LYS  59 -10.498   7.591   5.053
  449    HD3  LYS  59           3HD      LYS  59  -9.524   7.181   3.632
  450    HE2  LYS  59           2HE      LYS  59 -10.552   4.879   3.647
  451    HE3  LYS  59           3HE      LYS  59 -11.599   5.391   4.978
  452    HZ1  LYS  59           3HZ      LYS  59 -12.530   7.078   3.492
  453    HZ2  LYS  59           1HZ      LYS  59 -11.554   6.592   2.267
  454    HZ3  LYS  59           2HZ      LYS  59 -12.710   5.595   2.846
  455    H    VAL  60           H        VAL  60  -5.213   5.652   6.068
  456    HA   VAL  60           HA       VAL  60  -6.269   3.107   6.881
  457    HB   VAL  60           HB       VAL  60  -3.570   3.885   5.711
  458   HG11  VAL  60          1HG1      VAL  60  -4.878   1.131   5.998
  459   HG12  VAL  60          2HG1      VAL  60  -3.415   1.486   5.046
  460   HG13  VAL  60          3HG1      VAL  60  -3.396   1.684   6.796
  461   HG21  VAL  60          3HG2      VAL  60  -6.016   2.680   4.333
  462   HG22  VAL  60          1HG2      VAL  60  -5.626   4.400   4.279
  463   HG23  VAL  60          2HG2      VAL  60  -4.500   3.257   3.580
  464    H    SER  61           H        SER  61  -3.440   5.128   8.120
  465    HA   SER  61           HA       SER  61  -2.859   3.232  10.169
  466    HG   SER  61           HG       SER  61  -0.610   5.659   8.982
  467    HB2  SER  61           2HB      SER  61  -2.346   6.223  10.068
  468    HB3  SER  61           3HB      SER  61  -1.625   5.087  11.224
  469    H    GLY  62           H        GLY  62  -5.369   5.775   9.948
  470    HA2  GLY  62           2HA      GLY  62  -6.199   5.733  12.675
  471    HA3  GLY  62           1HA      GLY  62  -7.197   6.110  11.256
  472    H    ASP  63           H        ASP  63  -7.335   3.798   9.803
  473    HA   ASP  63           HA       ASP  63  -9.111   2.149  11.270
  474    HB2  ASP  63           2HB      ASP  63  -9.135   2.325   8.814
  475    HB3  ASP  63           3HB      ASP  63  -7.598   1.457   8.734
  476    H    MET  64           H        MET  64  -5.658   1.657  10.459
  477    HA   MET  64           HA       MET  64  -5.381  -0.917  11.617
  478    HB2  MET  64           2HB      MET  64  -3.361   1.349  11.378
  479    HB3  MET  64           3HB      MET  64  -2.957  -0.292  11.826
  480    HG2  MET  64           2HG      MET  64  -4.284   0.397   9.178
  481    HG3  MET  64           3HG      MET  64  -2.563   0.232   9.392
  482    HE1  MET  64           3HE      MET  64  -6.020  -1.526   9.564
  483    HE2  MET  64           1HE      MET  64  -5.375  -1.309   7.909
  484    HE3  MET  64           2HE      MET  64  -5.603  -2.947   8.579
  485    H    GLN  65           H        GLN  65  -4.907   2.348  13.144
  486    HA   GLN  65           HA       GLN  65  -4.309   1.230  15.699
  487    HB2  GLN  65           2HB      GLN  65  -5.142   3.955  14.679
  488    HB3  GLN  65           3HB      GLN  65  -4.878   3.658  16.402
  489    HG2  GLN  65           2HG      GLN  65  -2.559   2.988  16.004
  490    HG3  GLN  65           3HG      GLN  65  -2.768   3.078  14.255
  491   HE21  GLN  65          2HE2      GLN  65  -3.479   5.238  13.384
  492   HE22  GLN  65          1HE2      GLN  65  -2.784   6.688  14.106
  493    H    LYS  66           H        LYS  66  -7.421   2.048  14.134
  494    HA   LYS  66           HA       LYS  66  -8.986   1.642  16.535
  495    HB2  LYS  66           2HB      LYS  66  -9.640   1.584  13.574
  496    HB3  LYS  66           3HB      LYS  66 -10.837   1.165  14.809
  497    HG2  LYS  66           2HG      LYS  66 -10.531   3.329  15.917
  498    HG3  LYS  66           3HG      LYS  66  -9.307   3.810  14.749
  499    HD2  LYS  66           2HD      LYS  66 -12.212   3.191  14.060
  500    HD3  LYS  66           3HD      LYS  66 -11.572   4.806  14.385
  501    HE2  LYS  66           2HE      LYS  66  -9.990   4.571  12.462
  502    HE3  LYS  66           3HE      LYS  66 -10.681   2.979  12.115
  503    HZ1  LYS  66           3HZ      LYS  66 -12.813   4.059  11.709
  504    HZ2  LYS  66           1HZ      LYS  66 -12.183   5.530  12.036
  505    HZ3  LYS  66           2HZ      LYS  66 -11.672   4.695  10.735
  506    H    GLN  67           H        GLN  67  -7.771  -0.640  13.966
  507    HA   GLN  67           HA       GLN  67  -8.862  -2.945  15.353
  508    HB2  GLN  67           2HB      GLN  67  -6.520  -2.735  13.401
  509    HB3  GLN  67           3HB      GLN  67  -7.226  -4.232  14.006
  510    HG2  GLN  67           2HG      GLN  67  -9.431  -3.565  13.003
  511    HG3  GLN  67           3HG      GLN  67  -8.664  -2.136  12.320
  512   HE21  GLN  67          2HE2      GLN  67  -8.282  -2.439  10.091
  513   HE22  GLN  67          1HE2      GLN  67  -7.775  -3.973   9.419
  514    H    GLY  68           H        GLY  68  -6.001  -0.959  15.777
  515    HA2  GLY  68           2HA      GLY  68  -5.250  -0.758  18.125
  516    HA3  GLY  68           1HA      GLY  68  -5.145  -2.515  18.174
  517    H    CYS  69           H        CYS  69  -4.200  -2.250  15.211
  518    HA   CYS  69           HA       CYS  69  -1.487  -2.835  15.613
  519    HG   CYS  69           HG       CYS  69  -3.057  -4.377  12.342
  520    HB2  CYS  69           2HB      CYS  69  -3.112  -1.930  13.209
  521    HB3  CYS  69           3HB      CYS  69  -1.428  -2.437  13.086
  522    H    ASP  70           H        ASP  70   0.400  -1.719  15.073
  523    HA   ASP  70           HA       ASP  70   0.279   1.264  15.262
  524    HB2  ASP  70           2HB      ASP  70   1.367   0.237  17.183
  525    HB3  ASP  70           3HB      ASP  70   2.366  -0.769  16.135
  526    H    CYS  71           H        CYS  71   1.393   2.398  13.602
  527    HA   CYS  71           HA       CYS  71   2.473   0.748  11.381
  528    HG   CYS  71           HG       CYS  71  -1.187   0.855  10.021
  529    HB2  CYS  71           2HB      CYS  71   0.142   2.725  11.329
  530    HB3  CYS  71           3HB      CYS  71   0.955   2.162   9.878
  531    H    GLU  72           H        GLU  72   3.490   1.964   9.638
  532    HA   GLU  72           HA       GLU  72   4.088   4.820  10.011
  533    HB2  GLU  72           2HB      GLU  72   5.850   3.754  11.309
  534    HB3  GLU  72           3HB      GLU  72   6.108   2.527  10.061
  535    HG2  GLU  72           2HG      GLU  72   6.992   4.194   8.527
  536    HG3  GLU  72           3HG      GLU  72   6.621   5.496   9.671
  537    H    CYS  73           H        CYS  73   4.029   5.722   7.870
  538    HA   CYS  73           HA       CYS  73   3.854   3.915   5.582
  539    HG   CYS  73           HG       CYS  73   3.341   8.380   5.340
  540    HB2  CYS  73           2HB      CYS  73   3.950   6.070   4.250
  541    HB3  CYS  73           3HB      CYS  73   2.558   5.887   5.301
  542    H    LEU  74           H        LEU  74   5.593   3.032   4.593
  543    HA   LEU  74           HA       LEU  74   8.324   3.869   5.254
  544    HG   LEU  74           HG       LEU  74   6.871   0.919   5.251
  545    HB2  LEU  74           2HB      LEU  74   7.280   1.970   3.107
  546    HB3  LEU  74           3HB      LEU  74   8.967   2.250   3.505
  547   HD11  LEU  74          1HD1      LEU  74   9.529  -0.099   4.153
  548   HD12  LEU  74          2HD1      LEU  74   8.326  -1.033   5.070
  549   HD13  LEU  74          3HD1      LEU  74   7.943  -0.446   3.446
  550   HD21  LEU  74          3HD2      LEU  74   9.718   1.724   5.995
  551   HD22  LEU  74          1HD2      LEU  74   8.207   2.213   6.804
  552   HD23  LEU  74          2HD2      LEU  74   8.751   0.539   6.892
  553    H    GLY  75           H        GLY  75   5.868   4.620   2.827
  554    HA2  GLY  75           2HA      GLY  75   6.813   7.120   2.272
  555    HA3  GLY  75           1HA      GLY  75   7.572   6.112   1.035
  556    H    GLY  76           H        GLY  76   6.141   7.605  -0.294
  557    HA2  GLY  76           2HA      GLY  76   3.529   6.276  -0.813
  558    HA3  GLY  76           1HA      GLY  76   3.659   8.035  -0.799
  559    H    GLY  77           H        GLY  77   2.756   6.943  -3.034
  560    HA2  GLY  77           2HA      GLY  77   4.549   7.651  -5.132
  561    HA3  GLY  77           1HA      GLY  77   4.472   5.890  -4.962
  562    H    ARG  78           H        ARG  78   3.390   5.984  -7.133
  563    HA   ARG  78           HA       ARG  78   0.476   6.191  -6.838
  564    HE   ARG  78           HE       ARG  78   1.347   8.624 -11.468
  565    HB2  ARG  78           2HB      ARG  78   0.237   7.590  -8.886
  566    HB3  ARG  78           3HB      ARG  78   1.008   8.444  -7.550
  567    HG2  ARG  78           2HG      ARG  78   3.246   7.922  -8.612
  568    HG3  ARG  78           3HG      ARG  78   2.372   7.268  -9.999
  569    HD2  ARG  78           2HD      ARG  78   1.750  10.075  -9.029
  570    HD3  ARG  78           3HD      ARG  78   3.298   9.784  -9.829
  571   HH11  ARG  78          1HH2      ARG  78   2.349  11.863 -10.414
  572   HH12  ARG  78          2HH2      ARG  78   2.016  12.606 -11.935
  573   HH21  ARG  78          1HH1      ARG  78   1.015   9.554 -13.486
  574   HH22  ARG  78          2HH1      ARG  78   1.152  11.267 -13.729
  575    H    ILE  79           H        ILE  79  -0.579   5.330  -8.812
  576    HA   ILE  79           HA       ILE  79   0.962   3.041  -9.918
  577    HB   ILE  79           HB       ILE  79  -1.712   2.944  -8.446
  578   HG12  ILE  79          2HG1      ILE  79   0.968   1.631  -7.800
  579   HG13  ILE  79          3HG1      ILE  79   0.274   3.007  -6.949
  580   HG21  ILE  79          1HG2      ILE  79  -0.241   0.679  -9.884
  581   HG22  ILE  79          2HG2      ILE  79  -1.730   0.509  -8.927
  582   HG23  ILE  79          3HG2      ILE  79  -1.766   1.427 -10.408
  583   HD11  ILE  79          3HD1      ILE  79  -1.653   1.588  -6.236
  584   HD12  ILE  79          1HD1      ILE  79  -0.825   0.176  -6.940
  585   HD13  ILE  79          2HD1      ILE  79  -0.078   1.059  -5.611
  586    H    SER  80           H        SER  80   0.267   2.416 -11.928
  587    HA   SER  80           HA       SER  80  -2.172   3.503 -13.122
  588    HG   SER  80           HG       SER  80  -0.605   6.079 -14.542
  589    HB2  SER  80           2HB      SER  80   0.572   3.869 -14.415
  590    HB3  SER  80           3HB      SER  80  -0.992   4.144 -15.199
  591    H    HIS  81           H        HIS  81  -2.445   2.373 -15.338
  592    HA   HIS  81           HA       HIS  81  -1.057  -0.187 -15.643
  593    HD1  HIS  81           HD1      HIS  81  -5.624  -1.329 -16.422
  594    HD2  HIS  81           HD2      HIS  81  -1.705  -2.837 -16.144
  595    HE1  HIS  81           HE1      HIS  81  -5.612  -3.545 -17.675
  596    HB2  HIS  81           2HB      HIS  81  -2.878  -0.835 -14.185
  597    HB3  HIS  81           3HB      HIS  81  -4.028   0.164 -15.071
  598    H    GLN  82           H        GLN  82  -0.896  -0.693 -17.778
  599    HA   GLN  82           HA       GLN  82  -2.477   0.810 -19.797
  600    HB2  GLN  82           2HB      GLN  82   0.561   0.616 -19.615
  601    HB3  GLN  82           3HB      GLN  82  -0.323   1.053 -21.077
  602    HG2  GLN  82           2HG      GLN  82   0.239   3.108 -20.306
  603    HG3  GLN  82           3HG      GLN  82  -1.408   2.943 -19.729
  604   HE21  GLN  82          2HE2      GLN  82  -0.461   4.858 -18.423
  605   HE22  GLN  82          1HE2      GLN  82   0.356   4.485 -16.928
  606    H    SER  83           H        SER  83  -3.247  -1.593 -19.062
  607    HA   SER  83           HA       SER  83  -3.857  -3.614 -19.821
  608    HG   SER  83           HG       SER  83  -4.981  -1.873 -22.723
  609    HB2  SER  83           2HB      SER  83  -2.827  -2.647 -22.508
  610    HB3  SER  83           3HB      SER  83  -4.040  -3.903 -22.213
  611    H    GLN  84           H        GLN  84  -2.954  -5.592 -21.439
  612    HA   GLN  84           HA       GLN  84  -0.629  -6.588 -20.106
  613    HB2  GLN  84           2HB      GLN  84  -2.107  -7.417 -22.635
  614    HB3  GLN  84           3HB      GLN  84  -0.706  -8.302 -22.048
  615    HG2  GLN  84           2HG      GLN  84  -3.203  -7.836 -20.356
  616    HG3  GLN  84           3HG      GLN  84  -2.952  -9.240 -21.382
  617   HE21  GLN  84          2HE2      GLN  84  -3.353 -10.173 -19.043
  618   HE22  GLN  84          1HE2      GLN  84  -1.903 -10.528 -18.138
  619    H    ASP  85           H        ASP  85  -0.949  -4.416 -22.809
  620    HA   ASP  85           HA       ASP  85   1.477  -4.986 -24.178
  621    HB2  ASP  85           2HB      ASP  85  -0.368  -3.738 -25.179
  622    HB3  ASP  85           3HB      ASP  85  -0.183  -2.447 -23.987
  623    H    LYS  86           H        LYS  86   0.756  -2.676 -21.494
  624    HA   LYS  86           HA       LYS  86   3.701  -2.334 -21.117
  625    HB2  LYS  86           2HB      LYS  86   1.580  -0.263 -21.556
  626    HB3  LYS  86           3HB      LYS  86   2.880   0.118 -20.421
  627    HG2  LYS  86           2HG      LYS  86   4.569  -0.416 -22.141
  628    HG3  LYS  86           3HG      LYS  86   3.293  -0.738 -23.314
  629    HD2  LYS  86           2HD      LYS  86   3.741   1.915 -21.878
  630    HD3  LYS  86           3HD      LYS  86   4.341   1.554 -23.489
  631    HE2  LYS  86           2HE      LYS  86   1.380   1.528 -22.739
  632    HE3  LYS  86           3HE      LYS  86   2.223   2.937 -23.382
  633    HZ1  LYS  86           3HZ      LYS  86   2.720   1.663 -25.382
  634    HZ2  LYS  86           1HZ      LYS  86   1.909   0.351 -24.816
  635    HZ3  LYS  86           2HZ      LYS  86   1.113   1.741 -25.133
  636    H    LYS  87           H        LYS  87   1.081  -3.610 -19.668
  637    HA   LYS  87           HA       LYS  87   0.812  -4.511 -17.662
  638    HB2  LYS  87           2HB      LYS  87   3.759  -4.084 -17.793
  639    HB3  LYS  87           3HB      LYS  87   3.161  -4.232 -16.167
  640    HG2  LYS  87           2HG      LYS  87   3.823  -6.370 -17.033
  641    HG3  LYS  87           3HG      LYS  87   2.087  -6.358 -16.673
  642    HD2  LYS  87           2HD      LYS  87   1.499  -6.264 -18.989
  643    HD3  LYS  87           3HD      LYS  87   3.170  -5.911 -19.483
  644    HE2  LYS  87           2HE      LYS  87   3.919  -8.102 -18.947
  645    HE3  LYS  87           3HE      LYS  87   2.451  -8.490 -18.038
  646    HZ1  LYS  87           3HZ      LYS  87   1.229  -8.708 -19.969
  647    HZ2  LYS  87           1HZ      LYS  87   2.292  -7.888 -20.918
  648    HZ3  LYS  87           2HZ      LYS  87   2.648  -9.408 -20.382
  649    H    ILE  88           H        ILE  88   1.379  -4.089 -15.157
  650    HA   ILE  88           HA       ILE  88   0.045  -1.541 -14.453
  651    HB   ILE  88           HB       ILE  88   0.894  -3.942 -12.782
  652   HG12  ILE  88          2HG1      ILE  88  -1.933  -3.305 -13.723
  653   HG13  ILE  88          3HG1      ILE  88  -0.909  -4.540 -14.455
  654   HG21  ILE  88          1HG2      ILE  88  -0.997  -1.634 -12.121
  655   HG22  ILE  88          2HG2      ILE  88  -0.575  -2.980 -11.040
  656   HG23  ILE  88          3HG2      ILE  88   0.651  -1.813 -11.490
  657   HD11  ILE  88          3HD1      ILE  88  -0.786  -5.731 -12.268
  658   HD12  ILE  88          1HD1      ILE  88  -1.992  -4.586 -11.626
  659   HD13  ILE  88          2HD1      ILE  88  -2.406  -5.642 -12.980
  660    H    HIS  89           H        HIS  89   1.280  -0.012 -13.089
  661    HA   HIS  89           HA       HIS  89   4.161  -0.603 -12.730
  662    HD1  HIS  89           HD1      HIS  89   6.392  -0.294 -14.323
  663    HD2  HIS  89           HD2      HIS  89   5.089   3.666 -13.703
  664    HE1  HIS  89           HE1      HIS  89   8.492   1.150 -14.170
  665    HB2  HIS  89           2HB      HIS  89   3.719   0.506 -15.000
  666    HB3  HIS  89           3HB      HIS  89   3.179   1.926 -14.107
  667    H    VAL  90           H        VAL  90   5.122   0.634 -11.083
  668    HA   VAL  90           HA       VAL  90   3.320   2.315  -9.401
  669    HB   VAL  90           HB       VAL  90   5.471   0.404  -8.399
  670   HG11  VAL  90          1HG1      VAL  90   3.202   1.846  -6.941
  671   HG12  VAL  90          2HG1      VAL  90   4.451   0.819  -6.203
  672   HG13  VAL  90          3HG1      VAL  90   4.896   2.357  -6.950
  673   HG21  VAL  90          3HG2      VAL  90   2.462  -0.092  -8.464
  674   HG22  VAL  90          1HG2      VAL  90   3.713  -1.015  -9.323
  675   HG23  VAL  90          2HG2      VAL  90   3.659  -1.057  -7.563
  676    H    TYR  91           H        TYR  91   4.294   4.345  -8.955
  677    HA   TYR  91           HA       TYR  91   7.166   4.698  -9.276
  678    HD1  TYR  91           HD1      TYR  91   3.781   4.093 -11.466
  679    HD2  TYR  91           HD2      TYR  91   5.771   7.876 -12.088
  680    HE1  TYR  91           HE1      TYR  91   1.703   5.022 -12.365
  681    HE2  TYR  91           HE2      TYR  91   3.697   8.793 -13.076
  682    HH   TYR  91           HH       TYR  91   0.689   6.821 -13.329
  683    HB2  TYR  91           2HB      TYR  91   7.023   6.052 -11.302
  684    HB3  TYR  91           3HB      TYR  91   6.452   4.451 -11.616
  685    H    GLY  92           H        GLY  92   7.372   7.383  -9.702
  686    HA2  GLY  92           2HA      GLY  92   7.119   9.430  -8.716
  687    HA3  GLY  92           1HA      GLY  92   5.448   8.986  -8.337
  688    H    TYR  93           H        TYR  93   5.922  10.317  -6.392
  689    HA   TYR  93           HA       TYR  93   6.922   8.788  -4.117
  690    HD1  TYR  93           HD1      TYR  93   7.837  13.000  -4.146
  691    HD2  TYR  93           HD2      TYR  93   9.351  10.318  -7.170
  692    HE1  TYR  93           HE1      TYR  93   8.172  14.917  -5.664
  693    HE2  TYR  93           HE2      TYR  93   9.696  12.233  -8.698
  694    HH   TYR  93           HH       TYR  93   8.902  15.618  -7.761
  695    HB2  TYR  93           2HB      TYR  93   8.603  10.626  -3.605
  696    HB3  TYR  93           3HB      TYR  93   9.028   9.551  -4.918
  697    H    SER  94           H        SER  94   6.532   9.928  -2.107
  698    HA   SER  94           HA       SER  94   4.430  12.026  -2.186
  699    HG   SER  94           HG       SER  94   4.007  12.460   0.420
  700    HB2  SER  94           2HB      SER  94   3.945  10.338  -0.588
  701    HB3  SER  94           3HB      SER  94   5.628  10.184  -0.099
  702    H    MET  95           H        MET  95   4.931  13.982  -0.700
  703    HA   MET  95           HA       MET  95   7.860  14.639  -0.833
  704    HB2  MET  95           2HB      MET  95   7.334  16.957  -0.809
  705    HB3  MET  95           3HB      MET  95   6.578  16.187  -2.204
  706    HG2  MET  95           2HG      MET  95   4.420  16.166  -1.067
  707    HG3  MET  95           3HG      MET  95   5.116  16.846   0.391
  708    HE1  MET  95           3HE      MET  95   5.792  19.330   0.746
  709    HE2  MET  95           1HE      MET  95   7.024  19.219  -0.534
  710    HE3  MET  95           2HE      MET  95   5.860  20.557  -0.537
  711    H    ALA  96           H        ALA  96   4.907  14.440   1.227
  712    HA   ALA  96           HA       ALA  96   6.339  15.427   3.568
  713    HB1  ALA  96           3HB      ALA  96   3.934  15.588   3.510
  714    HB2  ALA  96           1HB      ALA  96   3.772  13.837   3.254
  715    HB3  ALA  96           2HB      ALA  96   4.388  14.460   4.801
  716    H    TYR  97           H        TYR  97   5.984  12.278   1.994
  717    HA   TYR  97           HA       TYR  97   7.523  10.986   4.199
  718    HD1  TYR  97           HD1      TYR  97   5.744  10.429   6.172
  719    HD2  TYR  97           HD2      TYR  97   3.385  11.092   2.619
  720    HE1  TYR  97           HE1      TYR  97   3.976  11.487   7.543
  721    HE2  TYR  97           HE2      TYR  97   1.599  12.066   3.974
  722    HH   TYR  97           HH       TYR  97   1.886  12.544   7.530
  723    HB2  TYR  97           2HB      TYR  97   5.360   9.726   2.494
  724    HB3  TYR  97           3HB      TYR  97   6.097   9.080   3.950
  725    H    GLY  98           H        GLY  98   7.779  11.790   0.916
  726    HA2  GLY  98           2HA      GLY  98   9.482  11.286  -0.545
  727    HA3  GLY  98           1HA      GLY  98  10.162  10.197   0.662
  728    HA   PRO  99           HA       PRO  99   8.357   7.550  -2.782
  729    HB2  PRO  99           2HB      PRO  99  10.696   6.277  -3.486
  730    HB3  PRO  99           3HB      PRO  99  10.125   7.775  -4.259
  731    HG2  PRO  99           2HG      PRO  99  12.172   7.462  -2.053
  732    HG3  PRO  99           3HG      PRO  99  12.259   8.510  -3.501
  733    HD2  PRO  99           2HD      PRO  99  11.527   9.444  -1.034
  734    HD3  PRO  99           3HD      PRO  99  10.831  10.112  -2.540
  735    H    ALA 100           H        ALA 100   7.735   5.462  -2.264
  736    HA   ALA 100           HA       ALA 100   8.601   4.220   0.247
  737    HB1  ALA 100           3HB      ALA 100   6.294   3.851  -0.635
  738    HB2  ALA 100           1HB      ALA 100   7.007   3.198  -2.136
  739    HB3  ALA 100           2HB      ALA 100   7.208   2.309  -0.623
  740    H    GLN 101           H        GLN 101   9.214   1.830   0.088
  741    HA   GLN 101           HA       GLN 101  11.422   1.332  -1.744
  742    HB2  GLN 101           2HB      GLN 101  11.661   0.812   0.626
  743    HB3  GLN 101           3HB      GLN 101  10.132  -0.099   0.645
  744    HG2  GLN 101           2HG      GLN 101  10.973  -1.685  -0.871
  745    HG3  GLN 101           3HG      GLN 101  12.472  -0.787  -1.125
  746   HE21  GLN 101          2HE2      GLN 101  12.593  -3.520  -0.401
  747   HE22  GLN 101          1HE2      GLN 101  13.168  -3.665   1.237
  748    H    HIS 102           H        HIS 102   9.964   1.584  -3.612
  749    HA   HIS 102           HA       HIS 102   7.492   0.381  -3.894
  750    HD1  HIS 102           HD1      HIS 102   9.754   3.815  -5.338
  751    HD2  HIS 102           HD2      HIS 102   5.885   2.241  -4.841
  752    HE1  HIS 102           HE1      HIS 102   8.254   5.747  -4.609
  753    HB2  HIS 102           2HB      HIS 102   9.492   1.238  -6.002
  754    HB3  HIS 102           3HB      HIS 102   7.825   0.777  -6.358
  755    H    ALA 103           H        ALA 103  10.453  -1.318  -3.973
  756    HA   ALA 103           HA       ALA 103   9.804  -3.498  -5.702
  757    HB1  ALA 103           3HB      ALA 103  12.085  -3.067  -4.841
  758    HB2  ALA 103           1HB      ALA 103  11.530  -3.399  -3.181
  759    HB3  ALA 103           2HB      ALA 103  11.535  -4.694  -4.396
  760    H    ILE 104           H        ILE 104   8.908  -2.738  -2.304
  761    HA   ILE 104           HA       ILE 104   7.857  -5.374  -1.716
  762    HB   ILE 104           HB       ILE 104   7.244  -2.649  -0.489
  763   HG12  ILE 104          2HG1      ILE 104   9.096  -4.843   0.558
  764   HG13  ILE 104          3HG1      ILE 104   9.657  -3.427  -0.320
  765   HG21  ILE 104          1HG2      ILE 104   6.680  -5.454   0.599
  766   HG22  ILE 104          2HG2      ILE 104   6.340  -3.926   1.441
  767   HG23  ILE 104          3HG2      ILE 104   5.458  -4.326  -0.023
  768   HD11  ILE 104          3HD1      ILE 104   8.658  -1.947   1.427
  769   HD12  ILE 104          1HD1      ILE 104   8.286  -3.400   2.388
  770   HD13  ILE 104          2HD1      ILE 104   9.963  -2.999   2.011
  771    H    SER 105           H        SER 105   6.491  -2.271  -2.966
  772    HA   SER 105           HA       SER 105   3.828  -3.027  -3.141
  773    HG   SER 105           HG       SER 105   5.076   0.377  -3.546
  774    HB2  SER 105           2HB      SER 105   5.062  -1.277  -5.257
  775    HB3  SER 105           3HB      SER 105   3.561  -1.061  -4.338
  776    H    THR 106           H        THR 106   6.464  -3.372  -5.670
  777    HA   THR 106           HA       THR 106   4.615  -4.458  -7.549
  778    HB   THR 106           HB       THR 106   6.740  -5.250  -8.713
  779    HG1  THR 106           1HG      THR 106   8.621  -4.840  -7.813
  780   HG21  THR 106          3HG2      THR 106   5.521  -3.094  -9.102
  781   HG22  THR 106          1HG2      THR 106   6.603  -2.302  -7.943
  782   HG23  THR 106          2HG2      THR 106   7.254  -3.014  -9.443
  783    H    GLU 107           H        GLU 107   6.824  -6.118  -5.181
  784    HA   GLU 107           HA       GLU 107   6.176  -8.728  -6.053
  785    HB2  GLU 107           2HB      GLU 107   6.949  -7.628  -3.325
  786    HB3  GLU 107           3HB      GLU 107   6.643  -9.347  -3.603
  787    HG2  GLU 107           2HG      GLU 107   8.367  -9.380  -5.389
  788    HG3  GLU 107           3HG      GLU 107   8.736  -7.689  -5.073
  789    H    LYS 108           H        LYS 108   4.443  -6.618  -3.707
  790    HA   LYS 108           HA       LYS 108   2.464  -8.613  -3.077
  791    HB2  LYS 108           2HB      LYS 108   2.557  -5.587  -2.742
  792    HB3  LYS 108           3HB      LYS 108   1.220  -6.597  -2.175
  793    HG2  LYS 108           2HG      LYS 108   2.706  -7.909  -0.755
  794    HG3  LYS 108           3HG      LYS 108   4.107  -6.988  -1.303
  795    HD2  LYS 108           2HD      LYS 108   3.209  -4.931  -0.363
  796    HD3  LYS 108           3HD      LYS 108   1.717  -5.741   0.145
  797    HE2  LYS 108           2HE      LYS 108   4.476  -6.652   1.059
  798    HE3  LYS 108           3HE      LYS 108   3.584  -5.386   1.916
  799    HZ1  LYS 108           3HZ      LYS 108   2.096  -6.865   2.724
  800    HZ2  LYS 108           1HZ      LYS 108   2.092  -7.830   1.432
  801    HZ3  LYS 108           2HZ      LYS 108   3.323  -7.932   2.536
  802    H    ILE 109           H        ILE 109   2.420  -5.875  -5.455
  803    HA   ILE 109           HA       ILE 109  -0.299  -6.471  -6.214
  804    HB   ILE 109           HB       ILE 109   1.827  -4.782  -7.588
  805   HG12  ILE 109          2HG1      ILE 109  -0.589  -3.884  -5.926
  806   HG13  ILE 109          3HG1      ILE 109   0.995  -4.098  -5.215
  807   HG21  ILE 109          1HG2      ILE 109  -1.211  -4.794  -8.029
  808   HG22  ILE 109          2HG2      ILE 109  -0.025  -3.763  -8.857
  809   HG23  ILE 109          3HG2      ILE 109  -0.050  -5.491  -9.162
  810   HD11  ILE 109          3HD1      ILE 109   1.948  -2.432  -6.797
  811   HD12  ILE 109          1HD1      ILE 109   0.307  -2.104  -7.405
  812   HD13  ILE 109          2HD1      ILE 109   0.711  -1.768  -5.717
  813    H    LYS 110           H        LYS 110   2.901  -7.591  -7.455
  814    HA   LYS 110           HA       LYS 110   1.926  -9.067  -9.702
  815    HB2  LYS 110           2HB      LYS 110   4.238  -9.544  -7.774
  816    HB3  LYS 110           3HB      LYS 110   3.899 -10.622  -9.120
  817    HG2  LYS 110           2HG      LYS 110   4.364  -8.937 -10.758
  818    HG3  LYS 110           3HG      LYS 110   4.469  -7.661  -9.539
  819    HD2  LYS 110           2HD      LYS 110   6.416  -8.783  -8.499
  820    HD3  LYS 110           3HD      LYS 110   6.325 -10.076  -9.714
  821    HE2  LYS 110           2HE      LYS 110   6.737  -8.398 -11.506
  822    HE3  LYS 110           3HE      LYS 110   6.822  -7.119 -10.290
  823    HZ1  LYS 110           3HZ      LYS 110   8.773  -8.243  -9.356
  824    HZ2  LYS 110           1HZ      LYS 110   8.689  -9.416 -10.492
  825    HZ3  LYS 110           2HZ      LYS 110   9.017  -7.881 -10.926
  826    H    ALA 111           H        ALA 111   2.251 -10.004  -6.210
  827    HA   ALA 111           HA       ALA 111   1.140 -12.587  -6.547
  828    HB1  ALA 111           3HB      ALA 111   2.376 -11.868  -4.526
  829    HB2  ALA 111           1HB      ALA 111   1.026 -10.798  -4.079
  830    HB3  ALA 111           2HB      ALA 111   0.788 -12.552  -4.127
  831    H    LYS 112           H        LYS 112  -0.486  -9.413  -6.027
  832    HA   LYS 112           HA       LYS 112  -3.099 -10.503  -5.704
  833    HB2  LYS 112           2HB      LYS 112  -2.308  -8.106  -5.213
  834    HB3  LYS 112           3HB      LYS 112  -2.501  -7.788  -6.948
  835    HG2  LYS 112           2HG      LYS 112  -4.902  -8.523  -6.765
  836    HG3  LYS 112           3HG      LYS 112  -4.654  -8.777  -5.024
  837    HD2  LYS 112           2HD      LYS 112  -4.071  -6.367  -4.811
  838    HD3  LYS 112           3HD      LYS 112  -4.468  -6.116  -6.503
  839    HE2  LYS 112           2HE      LYS 112  -6.366  -7.125  -4.324
  840    HE3  LYS 112           3HE      LYS 112  -6.301  -5.470  -4.929
  841    HZ1  LYS 112           3HZ      LYS 112  -6.983  -6.298  -7.112
  842    HZ2  LYS 112           1HZ      LYS 112  -7.078  -7.836  -6.535
  843    HZ3  LYS 112           2HZ      LYS 112  -8.083  -6.689  -5.969
  844    H    TYR 113           H        TYR 113  -1.222  -9.748  -8.656
  845    HA   TYR 113           HA       TYR 113  -3.472 -10.825 -10.301
  846    HD1  TYR 113           HD2      TYR 113  -5.360  -9.236 -10.703
  847    HD2  TYR 113           HD1      TYR 113  -2.106  -6.548  -9.812
  848    HE1  TYR 113           HE2      TYR 113  -6.964  -7.626  -9.720
  849    HE2  TYR 113           HE1      TYR 113  -3.702  -4.912  -8.867
  850    HH   TYR 113           HH       TYR 113  -5.948  -4.430  -8.430
  851    HB2  TYR 113           2HB      TYR 113  -1.656  -8.494 -10.987
  852    HB3  TYR 113           3HB      TYR 113  -2.953  -9.147 -11.979
  853    HA   PRO 114           HA       PRO 114   0.413 -13.307 -11.099
  854    HB2  PRO 114           2HB      PRO 114  -1.755 -15.368 -11.499
  855    HB3  PRO 114           3HB      PRO 114  -0.133 -15.564 -10.765
  856    HG2  PRO 114           2HG      PRO 114  -2.336 -15.388  -9.194
  857    HG3  PRO 114           3HG      PRO 114  -0.840 -14.504  -8.746
  858    HD2  PRO 114           2HD      PRO 114  -3.311 -13.427 -10.126
  859    HD3  PRO 114           3HD      PRO 114  -2.368 -12.736  -8.776
  860    H    ASP 115           H        ASP 115  -2.649 -12.844 -12.842
  861    HA   ASP 115           HA       ASP 115  -1.780 -13.877 -15.386
  862    HB2  ASP 115           2HB      ASP 115  -4.151 -13.670 -14.631
  863    HB3  ASP 115           3HB      ASP 115  -4.006 -11.914 -14.723
  864    H    TYR 116           H        TYR 116  -0.747 -11.130 -13.730
  865    HA   TYR 116           HA       TYR 116   0.041  -9.673 -16.202
  866    HD1  TYR 116           HD1      TYR 116  -3.455  -9.395 -14.541
  867    HD2  TYR 116           HD2      TYR 116  -0.883  -6.766 -16.799
  868    HE1  TYR 116           HE1      TYR 116  -5.352  -8.819 -16.022
  869    HE2  TYR 116           HE2      TYR 116  -2.777  -6.167 -18.268
  870    HH   TYR 116           HH       TYR 116  -6.060  -7.570 -17.865
  871    HB2  TYR 116           2HB      TYR 116  -1.227  -8.622 -13.647
  872    HB3  TYR 116           3HB      TYR 116  -0.223  -7.596 -14.635
  873    H    GLU 117           H        GLU 117   1.668  -7.850 -15.156
  874    HA   GLU 117           HA       GLU 117   3.444  -8.951 -13.152
  875    HB2  GLU 117           2HB      GLU 117   4.323  -9.837 -15.322
  876    HB3  GLU 117           3HB      GLU 117   4.489  -8.189 -15.919
  877    HG2  GLU 117           2HG      GLU 117   6.170  -7.695 -14.209
  878    HG3  GLU 117           3HG      GLU 117   5.869  -9.244 -13.415
  879    H    VAL 118           H        VAL 118   5.017  -7.047 -12.589
  880    HA   VAL 118           HA       VAL 118   3.751  -4.436 -13.020
  881    HB   VAL 118           HB       VAL 118   4.383  -5.352 -10.203
  882   HG11  VAL 118          1HG1      VAL 118   2.420  -3.277 -11.251
  883   HG12  VAL 118          2HG1      VAL 118   2.896  -3.530  -9.563
  884   HG13  VAL 118          3HG1      VAL 118   4.061  -2.908 -10.748
  885   HG21  VAL 118          3HG2      VAL 118   1.614  -5.633 -11.444
  886   HG22  VAL 118          1HG2      VAL 118   2.648  -6.973 -10.925
  887   HG23  VAL 118          2HG2      VAL 118   2.058  -5.837  -9.735
  888    H    THR 119           H        THR 119   5.316  -2.789 -12.855
  889    HA   THR 119           HA       THR 119   8.062  -3.546 -11.998
  890    HB   THR 119           HB       THR 119   8.808  -2.099 -13.969
  891    HG1  THR 119           1HG      THR 119   7.250  -2.053 -15.697
  892   HG21  THR 119          3HG2      THR 119   8.967  -4.566 -13.948
  893   HG22  THR 119          1HG2      THR 119   7.345  -4.685 -14.674
  894   HG23  THR 119          2HG2      THR 119   8.679  -3.926 -15.575
  895    H    TRP 120           H        TRP 120   9.402  -1.458 -11.721
  896    HA   TRP 120           HA       TRP 120   7.732   0.834 -11.085
  897    HD1  TRP 120           HD1      TRP 120   9.349  -2.531  -8.700
  898    HE1  TRP 120           HE1      TRP 120  11.603  -2.917  -7.585
  899    HE3  TRP 120           HE3      TRP 120  10.902   2.337  -8.361
  900    HZ2  TRP 120           HZ2      TRP 120  13.794  -1.302  -6.567
  901    HZ3  TRP 120           HZ3      TRP 120  13.065   2.883  -7.279
  902    HH2  TRP 120           HH2      TRP 120  14.515   1.078  -6.380
  903    HB2  TRP 120           2HB      TRP 120   8.656   1.231  -8.883
  904    HB3  TRP 120           3HB      TRP 120   7.799  -0.299  -8.919
  905    H    ALA 121           H        ALA 121   8.848   2.786 -10.797
  906    HA   ALA 121           HA       ALA 121  11.711   2.968 -11.300
  907    HB1  ALA 121           3HB      ALA 121  10.760   3.056 -13.617
  908    HB2  ALA 121           1HB      ALA 121   9.652   4.347 -13.105
  909    HB3  ALA 121           2HB      ALA 121  11.403   4.642 -13.117
  910    H    ASN 122           H        ASN 122  12.444   4.841 -10.168
  911    HA   ASN 122           HA       ASN 122  10.556   5.818  -8.195
  912    HB2  ASN 122           2HB      ASN 122  13.051   5.255  -7.949
  913    HB3  ASN 122           3HB      ASN 122  13.374   6.845  -8.650
  914   HD21  ASN 122          2HD2      ASN 122  11.539   8.534  -7.331
  915   HD22  ASN 122          1HD2      ASN 122  11.910   8.492  -5.620
  916    H    ASP 123           H        ASP 123  11.505   6.957 -11.341
  917    HA   ASP 123           HA       ASP 123  11.166   9.763 -10.957
  918    HB2  ASP 123           2HB      ASP 123  11.446   9.987 -13.172
  919    HB3  ASP 123           3HB      ASP 123  12.128   8.372 -13.010
  920    H    GLY 124           H        GLY 124   9.354  11.117 -11.589
  921    HA2  GLY 124           2HA      GLY 124   6.865  10.636 -12.431
  922    HA3  GLY 124           1HA      GLY 124   6.772   9.966 -10.797
  923    H    TYR 125           H        TYR 125   5.152  11.695 -10.500
  924    HA   TYR 125           HA       TYR 125   6.327  13.929  -9.089
  925    HD1  TYR 125           HD1      TYR 125   5.647  13.478 -13.154
  926    HD2  TYR 125           HD2      TYR 125   2.566  15.396 -10.817
  927    HE1  TYR 125           HE1      TYR 125   4.008  12.993 -14.937
  928    HE2  TYR 125           HE2      TYR 125   0.917  14.929 -12.607
  929    HH   TYR 125           HH       TYR 125   1.791  13.205 -15.642
  930    HB2  TYR 125           2HB      TYR 125   4.928  15.641 -10.215
  931    HB3  TYR 125           3HB      TYR 125   6.189  15.009 -11.247
  Start of MODEL   20
    1    HA   MET   1           HA       MET   1 -10.852  -1.214  22.682
    2    H1   MET   1           H1       MET   1  -8.926  -3.245  23.184
    3    H2   MET   1           H2       MET   1  -9.897  -2.421  24.205
    4    H3   MET   1           H3       MET   1  -8.483  -1.757  23.716
    5    HB2  MET   1           2HB      MET   1  -8.794   0.104  22.343
    6    HB3  MET   1           3HB      MET   1  -8.244  -1.043  21.115
    7    HG2  MET   1           2HG      MET   1 -10.252  -0.526  19.748
    8    HG3  MET   1           3HG      MET   1 -10.840   0.554  21.019
    9    HE1  MET   1           3HE      MET   1 -10.777   1.517  18.083
   10    HE2  MET   1           1HE      MET   1 -11.224   2.553  19.458
   11    HE3  MET   1           2HE      MET   1 -10.047   3.131  18.259
   12    H    ALA   2           H        ALA   2  -8.594  -3.119  20.535
   13    HA   ALA   2           HA       ALA   2 -10.698  -5.024  19.850
   14    HB1  ALA   2           3HB      ALA   2 -11.169  -3.053  18.356
   15    HB2  ALA   2           1HB      ALA   2  -9.490  -3.142  17.774
   16    HB3  ALA   2           2HB      ALA   2 -10.619  -4.470  17.447
   17    H    VAL   3           H        VAL   3  -9.645  -6.433  17.937
   18    HA   VAL   3           HA       VAL   3  -6.753  -6.633  18.224
   19    HB   VAL   3           HB       VAL   3  -7.760  -7.960  20.082
   20   HG11  VAL   3          1HG1      VAL   3  -8.852  -9.793  17.915
   21   HG12  VAL   3          2HG1      VAL   3  -8.879 -10.079  19.666
   22   HG13  VAL   3          3HG1      VAL   3  -9.820  -8.750  18.980
   23   HG21  VAL   3          3HG2      VAL   3  -6.269  -9.688  18.075
   24   HG22  VAL   3          1HG2      VAL   3  -5.530  -8.524  19.206
   25   HG23  VAL   3          2HG2      VAL   3  -6.395  -9.934  19.819
   26    H    ALA   4           H        ALA   4  -5.821  -8.067  16.608
   27    HA   ALA   4           HA       ALA   4  -7.304  -9.100  14.388
   28    HB1  ALA   4           3HB      ALA   4  -7.241  -6.694  13.732
   29    HB2  ALA   4           1HB      ALA   4  -5.480  -6.664  13.985
   30    HB3  ALA   4           2HB      ALA   4  -6.186  -7.653  12.688
   31    H    ASP   5           H        ASP   5  -5.278  -9.648  12.697
   32    HA   ASP   5           HA       ASP   5  -2.750 -10.116  14.104
   33    HB2  ASP   5           2HB      ASP   5  -3.926 -12.258  14.466
   34    HB3  ASP   5           3HB      ASP   5  -4.303 -12.364  12.745
   35    H    LEU   6           H        LEU   6  -1.049  -9.996  12.607
   36    HA   LEU   6           HA       LEU   6  -1.510  -8.290  10.454
   37    HG   LEU   6           HG       LEU   6   0.554  -8.607  12.902
   38    HB2  LEU   6           2HB      LEU   6   0.876 -10.114  10.972
   39    HB3  LEU   6           3HB      LEU   6   0.850  -8.745   9.874
   40   HD11  LEU   6          1HD1      LEU   6   2.785  -7.615  11.086
   41   HD12  LEU   6          2HD1      LEU   6   2.732  -7.524  12.857
   42   HD13  LEU   6          3HD1      LEU   6   2.844  -9.097  12.063
   43   HD21  LEU   6          3HD2      LEU   6   0.535  -6.376  10.825
   44   HD22  LEU   6          1HD2      LEU   6  -0.773  -6.801  11.955
   45   HD23  LEU   6          2HD2      LEU   6   0.727  -6.129  12.575
   46    H    ALA   7           H        ALA   7  -1.426 -11.867  10.407
   47    HA   ALA   7           HA       ALA   7  -1.065 -12.062   7.582
   48    HB1  ALA   7           3HB      ALA   7  -0.559 -13.909   9.153
   49    HB2  ALA   7           1HB      ALA   7  -2.294 -14.052   9.535
   50    HB3  ALA   7           2HB      ALA   7  -1.710 -14.410   7.899
   51    H    LEU   8           H        LEU   8  -3.856 -11.354   9.600
   52    HA   LEU   8           HA       LEU   8  -5.841 -12.283   7.650
   53    HG   LEU   8           HG       LEU   8  -5.363 -12.899  10.714
   54    HB2  LEU   8           2HB      LEU   8  -6.146 -10.580  10.160
   55    HB3  LEU   8           3HB      LEU   8  -7.463 -11.265   9.223
   56   HD11  LEU   8          1HD1      LEU   8  -8.278 -12.329  11.397
   57   HD12  LEU   8          2HD1      LEU   8  -7.180 -13.403  12.293
   58   HD13  LEU   8          3HD1      LEU   8  -6.858 -11.665  12.234
   59   HD21  LEU   8          3HD2      LEU   8  -7.903 -13.772   9.266
   60   HD22  LEU   8          1HD2      LEU   8  -6.231 -14.166   8.805
   61   HD23  LEU   8          2HD2      LEU   8  -6.900 -14.811  10.303
   62    H    ILE   9           H        ILE   9  -4.066  -9.317   8.298
   63    HA   ILE   9           HA       ILE   9  -6.004  -7.490   7.306
   64    HB   ILE   9           HB       ILE   9  -2.991  -7.128   7.306
   65   HG12  ILE   9          2HG1      ILE   9  -4.997  -6.519   9.539
   66   HG13  ILE   9          3HG1      ILE   9  -3.811  -7.824   9.564
   67   HG21  ILE   9          1HG2      ILE   9  -5.255  -5.087   7.416
   68   HG22  ILE   9          2HG2      ILE   9  -3.517  -4.717   7.430
   69   HG23  ILE   9          3HG2      ILE   9  -4.241  -5.430   6.000
   70   HD11  ILE   9          3HD1      ILE   9  -1.975  -6.120   9.398
   71   HD12  ILE   9          1HD1      ILE   9  -3.215  -4.866   9.667
   72   HD13  ILE   9          2HD1      ILE   9  -2.926  -6.103  10.897
   73    HA   PRO  10           HA       PRO  10  -5.748  -8.466   2.864
   74    HB2  PRO  10           2HB      PRO  10  -6.421  -5.511   2.817
   75    HB3  PRO  10           3HB      PRO  10  -7.063  -6.819   1.767
   76    HG2  PRO  10           2HG      PRO  10  -8.527  -5.935   3.858
   77    HG3  PRO  10           3HG      PRO  10  -8.370  -7.703   3.585
   78    HD2  PRO  10           2HD      PRO  10  -6.873  -5.959   5.553
   79    HD3  PRO  10           3HD      PRO  10  -7.583  -7.585   5.789
   80    H    ASP  11           H        ASP  11  -3.880  -8.518   1.694
   81    HA   ASP  11           HA       ASP  11  -1.648  -6.978   2.663
   82    HB2  ASP  11           2HB      ASP  11  -1.797  -9.451   1.838
   83    HB3  ASP  11           3HB      ASP  11  -1.581  -8.769   0.222
   84    H    VAL  12           H        VAL  12  -3.647  -6.891  -0.259
   85    HA   VAL  12           HA       VAL  12  -2.567  -4.228  -0.962
   86    HB   VAL  12           HB       VAL  12  -3.072  -6.484  -2.937
   87   HG11  VAL  12          1HG1      VAL  12  -2.063  -3.648  -3.437
   88   HG12  VAL  12          2HG1      VAL  12  -2.206  -4.935  -4.653
   89   HG13  VAL  12          3HG1      VAL  12  -3.657  -4.284  -3.894
   90   HG21  VAL  12          3HG2      VAL  12  -0.437  -5.240  -2.096
   91   HG22  VAL  12          1HG2      VAL  12  -0.956  -6.924  -1.865
   92   HG23  VAL  12          2HG2      VAL  12  -0.663  -6.315  -3.492
   93    H    ASP  13           H        ASP  13  -4.319  -2.843  -1.369
   94    HA   ASP  13           HA       ASP  13  -6.818  -3.950  -2.360
   95    HB2  ASP  13           2HB      ASP  13  -7.211  -4.093   0.087
   96    HB3  ASP  13           3HB      ASP  13  -6.812  -2.380   0.249
   97    H    ILE  14           H        ILE  14  -7.710  -2.513  -3.719
   98    HA   ILE  14           HA       ILE  14  -7.028   0.312  -3.792
   99    HB   ILE  14           HB       ILE  14  -6.368   0.149  -6.197
  100   HG12  ILE  14          2HG1      ILE  14  -6.006  -2.841  -5.698
  101   HG13  ILE  14          3HG1      ILE  14  -7.307  -2.136  -6.656
  102   HG21  ILE  14          1HG2      ILE  14  -4.411  -1.377  -4.425
  103   HG22  ILE  14          2HG2      ILE  14  -4.032  -0.348  -5.815
  104   HG23  ILE  14          3HG2      ILE  14  -4.683   0.375  -4.342
  105   HD11  ILE  14          3HD1      ILE  14  -5.647  -1.221  -8.252
  106   HD12  ILE  14          1HD1      ILE  14  -4.344  -2.026  -7.334
  107   HD13  ILE  14          2HD1      ILE  14  -5.599  -2.988  -8.124
  108    H    ASP  15           H        ASP  15  -8.587   1.392  -5.274
  109    HA   ASP  15           HA       ASP  15 -10.753  -0.239  -6.388
  110    HB2  ASP  15           2HB      ASP  15 -11.439   0.027  -4.022
  111    HB3  ASP  15           3HB      ASP  15 -11.349   1.780  -4.191
  112    H    SER  16           H        SER  16  -8.905   1.048  -7.776
  113    HA   SER  16           HA       SER  16 -10.267   3.327  -9.066
  114    HG   SER  16           HG       SER  16  -7.902   4.806  -6.723
  115    HB2  SER  16           2HB      SER  16  -7.386   3.325  -8.102
  116    HB3  SER  16           3HB      SER  16  -8.146   4.610  -9.060
  117    H    ASP  17           H        ASP  17  -8.886   3.917 -11.079
  118    HA   ASP  17           HA       ASP  17  -7.178   1.840 -12.184
  119    HB2  ASP  17           2HB      ASP  17  -9.441   1.026 -12.785
  120    HB3  ASP  17           3HB      ASP  17  -9.832   2.603 -13.479
  121    H    GLY  18           H        GLY  18  -6.380   2.676 -14.366
  122    HA2  GLY  18           2HA      GLY  18  -5.782   4.388 -15.841
  123    HA3  GLY  18           1HA      GLY  18  -6.541   5.594 -14.801
  124    H    VAL  19           H        VAL  19  -5.417   6.404 -13.052
  125    HA   VAL  19           HA       VAL  19  -2.742   5.548 -12.308
  126    HB   VAL  19           HB       VAL  19  -3.414   8.405 -13.152
  127   HG11  VAL  19          1HG1      VAL  19  -0.817   7.204 -12.094
  128   HG12  VAL  19          2HG1      VAL  19  -0.990   8.852 -12.741
  129   HG13  VAL  19          3HG1      VAL  19  -1.849   8.395 -11.270
  130   HG21  VAL  19          3HG2      VAL  19  -1.579   6.400 -14.514
  131   HG22  VAL  19          1HG2      VAL  19  -3.053   7.128 -15.185
  132   HG23  VAL  19          2HG2      VAL  19  -1.639   8.135 -14.891
  133    H    PHE  20           H        PHE  20  -2.582   5.910  -9.999
  134    HA   PHE  20           HA       PHE  20  -4.171   7.972  -8.726
  135    HD1  PHE  20           HD2      PHE  20  -5.510   4.345 -10.207
  136    HD2  PHE  20           HD1      PHE  20  -4.164   4.516  -6.113
  137    HE1  PHE  20           HE2      PHE  20  -5.174   1.886 -10.211
  138    HE2  PHE  20           HE1      PHE  20  -3.845   2.063  -6.117
  139    HZ   PHE  20           HZ       PHE  20  -4.330   0.743  -8.170
  140    HB2  PHE  20           2HB      PHE  20  -5.317   6.446  -7.137
  141    HB3  PHE  20           3HB      PHE  20  -5.925   6.343  -8.773
  142    H    LYS  21           H        LYS  21  -3.544   8.280  -6.490
  143    HA   LYS  21           HA       LYS  21  -0.722   7.656  -6.036
  144    HB2  LYS  21           2HB      LYS  21  -2.856   9.304  -4.641
  145    HB3  LYS  21           3HB      LYS  21  -1.352   8.931  -3.821
  146    HG2  LYS  21           2HG      LYS  21  -1.246  11.128  -4.821
  147    HG3  LYS  21           3HG      LYS  21  -0.042  10.057  -5.534
  148    HD2  LYS  21           2HD      LYS  21  -1.321   9.813  -7.565
  149    HD3  LYS  21           3HD      LYS  21  -2.710  10.674  -6.883
  150    HE2  LYS  21           2HE      LYS  21   0.037  11.971  -7.119
  151    HE3  LYS  21           3HE      LYS  21  -1.083  11.929  -8.488
  152    HZ1  LYS  21           3HZ      LYS  21  -2.703  13.115  -7.208
  153    HZ2  LYS  21           1HZ      LYS  21  -1.790  13.123  -5.866
  154    HZ3  LYS  21           2HZ      LYS  21  -1.298  13.969  -7.190
  155    H    TYR  22           H        TYR  22   0.097   6.536  -4.177
  156    HA   TYR  22           HA       TYR  22  -1.752   4.888  -2.619
  157    HD1  TYR  22           HD2      TYR  22   1.698   4.371  -5.272
  158    HD2  TYR  22           HD1      TYR  22   0.237   1.718  -2.211
  159    HE1  TYR  22           HE2      TYR  22   4.031   3.744  -4.703
  160    HE2  TYR  22           HE1      TYR  22   2.545   1.077  -1.637
  161    HH   TYR  22           HH       TYR  22   4.782   1.541  -1.975
  162    HB2  TYR  22           2HB      TYR  22  -1.270   2.894  -3.582
  163    HB3  TYR  22           3HB      TYR  22  -0.789   3.816  -4.985
  164    H    VAL  23           H        VAL  23  -0.533   3.771  -0.824
  165    HA   VAL  23           HA       VAL  23   2.141   4.890  -0.264
  166    HB   VAL  23           HB       VAL  23   1.551   5.123   2.147
  167   HG11  VAL  23          1HG1      VAL  23   0.095   6.996   0.256
  168   HG12  VAL  23          2HG1      VAL  23   0.541   7.348   1.941
  169   HG13  VAL  23          3HG1      VAL  23   1.801   7.080   0.728
  170   HG21  VAL  23          3HG2      VAL  23  -1.330   4.919   1.178
  171   HG22  VAL  23          1HG2      VAL  23  -0.502   3.812   2.272
  172   HG23  VAL  23          2HG2      VAL  23  -0.818   5.484   2.777
  173    H    LEU  24           H        LEU  24   3.387   3.660   1.155
  174    HA   LEU  24           HA       LEU  24   2.683   0.761   1.224
  175    HG   LEU  24           HG       LEU  24   6.331  -0.007   0.554
  176    HB2  LEU  24           2HB      LEU  24   4.708   1.687  -0.146
  177    HB3  LEU  24           3HB      LEU  24   5.452   2.035   1.389
  178   HD11  LEU  24          1HD1      LEU  24   4.349  -0.944   2.660
  179   HD12  LEU  24          2HD1      LEU  24   5.971  -1.567   2.300
  180   HD13  LEU  24          3HD1      LEU  24   5.784   0.039   3.026
  181   HD21  LEU  24          3HD2      LEU  24   3.534  -1.191   0.388
  182   HD22  LEU  24          1HD2      LEU  24   4.438  -0.526  -0.992
  183   HD23  LEU  24          2HD2      LEU  24   5.069  -1.925  -0.133
  184    H    ILE  25           H        ILE  25   2.084   0.243   3.324
  185    HA   ILE  25           HA       ILE  25   3.150   1.961   5.535
  186    HB   ILE  25           HB       ILE  25   0.350   0.952   4.999
  187   HG12  ILE  25          2HG1      ILE  25   1.477   3.692   5.727
  188   HG13  ILE  25          3HG1      ILE  25   1.089   3.170   4.088
  189   HG21  ILE  25          1HG2      ILE  25   1.430   2.006   7.646
  190   HG22  ILE  25          2HG2      ILE  25  -0.286   1.691   7.283
  191   HG23  ILE  25          3HG2      ILE  25   0.841   0.357   7.342
  192   HD11  ILE  25          3HD1      ILE  25  -1.303   2.898   4.776
  193   HD12  ILE  25          1HD1      ILE  25  -0.886   3.607   6.364
  194   HD13  ILE  25          2HD1      ILE  25  -0.694   4.558   4.896
  195    H    ARG  26           H        ARG  26   4.214   0.963   7.034
  196    HA   ARG  26           HA       ARG  26   4.379  -1.985   7.121
  197    HE   ARG  26           HE       ARG  26   7.934  -2.987   7.658
  198    HB2  ARG  26           2HB      ARG  26   6.433  -0.663   7.354
  199    HB3  ARG  26           3HB      ARG  26   5.756   0.243   8.705
  200    HG2  ARG  26           2HG      ARG  26   5.802  -1.636  10.158
  201    HG3  ARG  26           3HG      ARG  26   6.015  -2.790   8.836
  202    HD2  ARG  26           2HD      ARG  26   8.101  -0.684   9.510
  203    HD3  ARG  26           3HD      ARG  26   8.080  -2.303  10.242
  204   HH11  ARG  26          1HH2      ARG  26  10.237  -0.759   9.230
  205   HH12  ARG  26          2HH2      ARG  26  11.496  -1.108   8.104
  206   HH21  ARG  26          1HH1      ARG  26   9.456  -3.443   6.304
  207   HH22  ARG  26          2HH1      ARG  26  11.057  -2.721   6.335
  208    H    VAL  27           H        VAL  27   3.661  -3.107   8.954
  209    HA   VAL  27           HA       VAL  27   1.853  -1.735  10.854
  210    HB   VAL  27           HB       VAL  27   1.291  -4.441   9.578
  211   HG11  VAL  27          1HG1      VAL  27  -0.537  -2.432  10.956
  212   HG12  VAL  27          2HG1      VAL  27  -0.999  -4.031  10.363
  213   HG13  VAL  27          3HG1      VAL  27   0.130  -3.891  11.712
  214   HG21  VAL  27          3HG2      VAL  27   0.196  -1.793   8.557
  215   HG22  VAL  27          1HG2      VAL  27   1.205  -2.950   7.656
  216   HG23  VAL  27          2HG2      VAL  27  -0.430  -3.399   8.125
  217    H    HIS  28           H        HIS  28   1.962  -2.787  12.949
  218    HA   HIS  28           HA       HIS  28   4.050  -4.916  13.284
  219    HD1  HIS  28           HD1      HIS  28   6.676  -3.567  13.240
  220    HD2  HIS  28           HD2      HIS  28   4.047  -0.365  14.003
  221    HE1  HIS  28           HE1      HIS  28   7.805  -1.465  12.334
  222    HB2  HIS  28           2HB      HIS  28   3.428  -2.607  15.167
  223    HB3  HIS  28           3HB      HIS  28   4.720  -3.794  15.325
  224    H    SER  29           H        SER  29   3.631  -6.370  15.083
  225    HA   SER  29           HA       SER  29   0.954  -7.035  15.647
  226    HG   SER  29           HG       SER  29   2.299  -9.477  15.134
  227    HB2  SER  29           2HB      SER  29   3.481  -7.885  17.089
  228    HB3  SER  29           3HB      SER  29   1.927  -8.741  17.095
  229    H    ALA  30           H        ALA  30   0.999  -4.370  16.503
  230    HA   ALA  30           HA       ALA  30   1.080  -4.270  19.405
  231    HB1  ALA  30           3HB      ALA  30   1.552  -2.295  17.999
  232    HB2  ALA  30           1HB      ALA  30  -0.128  -2.331  17.410
  233    HB3  ALA  30           2HB      ALA  30   0.209  -2.010  19.117
  234    HA   PRO  31           HA       PRO  31  -3.794  -4.744  18.422
  235    HB2  PRO  31           2HB      PRO  31  -3.284  -7.714  18.085
  236    HB3  PRO  31           3HB      PRO  31  -4.715  -6.753  17.580
  237    HG2  PRO  31           2HG      PRO  31  -2.817  -7.246  15.760
  238    HG3  PRO  31           3HG      PRO  31  -3.452  -5.574  15.931
  239    HD2  PRO  31           2HD      PRO  31  -0.931  -6.770  17.068
  240    HD3  PRO  31           3HD      PRO  31  -1.151  -5.191  16.244
  241    H    ARG  32           H        ARG  32  -5.396  -5.528  19.905
  242    HA   ARG  32           HA       ARG  32  -6.103  -5.414  21.974
  243    HE   ARG  32           HE       ARG  32  -4.948 -11.001  21.786
  244    HB2  ARG  32           2HB      ARG  32  -5.897  -7.309  23.400
  245    HB3  ARG  32           3HB      ARG  32  -6.117  -7.821  21.737
  246    HG2  ARG  32           2HG      ARG  32  -3.799  -8.515  21.556
  247    HG3  ARG  32           3HG      ARG  32  -3.402  -7.758  23.106
  248    HD2  ARG  32           2HD      ARG  32  -3.538 -10.121  23.434
  249    HD3  ARG  32           3HD      ARG  32  -4.882  -9.370  24.276
  250   HH11  ARG  32          1HH2      ARG  32  -6.831  -9.395  24.342
  251   HH12  ARG  32          2HH2      ARG  32  -8.304 -10.198  23.950
  252   HH21  ARG  32          1HH1      ARG  32  -6.904 -12.101  21.303
  253   HH22  ARG  32          2HH1      ARG  32  -8.339 -11.768  22.190
  254    H    SER  33           H        SER  33  -3.630  -3.908  21.396
  255    HA   SER  33           HA       SER  33  -1.987  -2.743  22.310
  256    HG   SER  33           HG       SER  33  -4.641  -0.872  23.808
  257    HB2  SER  33           2HB      SER  33  -3.713  -2.730  24.807
  258    HB3  SER  33           3HB      SER  33  -2.511  -1.521  24.320
  259    H    GLY  34           H        GLY  34  -1.712  -5.716  22.550
  260    HA2  GLY  34           2HA      GLY  34   0.623  -5.942  24.081
  261    HA3  GLY  34           1HA      GLY  34  -0.709  -6.304  25.185
  262    H    ALA  35           H        ALA  35  -0.834  -7.206  21.706
  263    HA   ALA  35           HA       ALA  35  -1.250  -9.954  22.179
  264    HB1  ALA  35           3HB      ALA  35  -1.774  -8.857  20.038
  265    HB2  ALA  35           1HB      ALA  35  -0.046  -8.541  19.756
  266    HB3  ALA  35           2HB      ALA  35  -0.658 -10.205  19.769
  267    HA   PRO  36           HA       PRO  36   2.788 -11.296  23.335
  268    HB2  PRO  36           2HB      PRO  36   2.830 -13.949  22.617
  269    HB3  PRO  36           3HB      PRO  36   1.823 -13.298  23.945
  270    HG2  PRO  36           2HG      PRO  36   0.992 -13.859  21.082
  271    HG3  PRO  36           3HG      PRO  36   0.151 -14.333  22.592
  272    HD2  PRO  36           2HD      PRO  36  -0.578 -12.123  21.181
  273    HD3  PRO  36           3HD      PRO  36  -0.609 -12.129  22.970
  274    H    ALA  37           H        ALA  37   1.877 -11.641  19.959
  275    HA   ALA  37           HA       ALA  37   4.494 -12.270  18.904
  276    HB1  ALA  37           3HB      ALA  37   2.439 -12.722  17.630
  277    HB2  ALA  37           1HB      ALA  37   2.039 -10.989  17.615
  278    HB3  ALA  37           2HB      ALA  37   3.467 -11.582  16.744
  279    H    ALA  38           H        ALA  38   5.841 -10.800  17.689
  280    HA   ALA  38           HA       ALA  38   5.495  -7.899  18.042
  281    HB1  ALA  38           3HB      ALA  38   6.860  -8.598  19.997
  282    HB2  ALA  38           1HB      ALA  38   8.031  -9.367  18.897
  283    HB3  ALA  38           2HB      ALA  38   7.786  -7.604  18.861
  284    H    GLU  39           H        GLU  39   4.975  -9.455  15.813
  285    HA   GLU  39           HA       GLU  39   7.339  -9.447  14.054
  286    HB2  GLU  39           2HB      GLU  39   4.447 -10.270  13.521
  287    HB3  GLU  39           3HB      GLU  39   5.816 -10.520  12.444
  288    HG2  GLU  39           2HG      GLU  39   5.342 -11.855  15.139
  289    HG3  GLU  39           3HG      GLU  39   5.231 -12.596  13.553
  290    H    SER  40           H        SER  40   6.655  -8.584  11.748
  291    HA   SER  40           HA       SER  40   4.898  -6.265  11.819
  292    HG   SER  40           HG       SER  40   8.317  -5.159  12.566
  293    HB2  SER  40           2HB      SER  40   7.726  -6.034  10.759
  294    HB3  SER  40           3HB      SER  40   6.504  -4.762  10.782
  295    H    LYS  41           H        LYS  41   4.454  -5.528   9.602
  296    HA   LYS  41           HA       LYS  41   4.753  -7.454   7.392
  297    HB2  LYS  41           2HB      LYS  41   2.938  -8.350   8.772
  298    HB3  LYS  41           3HB      LYS  41   2.147  -6.787   8.846
  299    HG2  LYS  41           2HG      LYS  41   2.442  -7.792   6.065
  300    HG3  LYS  41           3HG      LYS  41   1.600  -8.918   7.126
  301    HD2  LYS  41           2HD      LYS  41   0.005  -7.177   7.821
  302    HD3  LYS  41           3HD      LYS  41   0.860  -5.984   6.848
  303    HE2  LYS  41           2HE      LYS  41  -1.171  -6.677   5.743
  304    HE3  LYS  41           3HE      LYS  41   0.231  -7.143   4.774
  305    HZ1  LYS  41           3HZ      LYS  41  -0.122  -9.375   5.308
  306    HZ2  LYS  41           1HZ      LYS  41  -1.121  -9.054   6.590
  307    HZ3  LYS  41           2HZ      LYS  41  -1.638  -8.810   5.058
  308    H    GLU  42           H        GLU  42   3.504  -6.348   5.422
  309    HA   GLU  42           HA       GLU  42   3.380  -3.409   5.725
  310    HB2  GLU  42           2HB      GLU  42   4.923  -4.915   3.563
  311    HB3  GLU  42           3HB      GLU  42   4.408  -3.248   3.432
  312    HG2  GLU  42           2HG      GLU  42   6.612  -3.053   4.047
  313    HG3  GLU  42           3HG      GLU  42   5.742  -2.740   5.535
  314    H    ILE  43           H        ILE  43   1.933  -2.441   4.230
  315    HA   ILE  43           HA       ILE  43   0.248  -4.241   2.595
  316    HB   ILE  43           HB       ILE  43  -1.741  -2.924   3.303
  317   HG12  ILE  43          2HG1      ILE  43  -0.036  -1.886   5.597
  318   HG13  ILE  43          3HG1      ILE  43  -0.601  -0.932   4.222
  319   HG21  ILE  43          1HG2      ILE  43  -0.444  -4.399   5.609
  320   HG22  ILE  43          2HG2      ILE  43  -2.182  -4.226   5.275
  321   HG23  ILE  43          3HG2      ILE  43  -1.180  -5.174   4.179
  322   HD11  ILE  43          3HD1      ILE  43  -2.960  -1.351   4.908
  323   HD12  ILE  43          1HD1      ILE  43  -2.374  -2.221   6.345
  324   HD13  ILE  43          2HD1      ILE  43  -2.011  -0.507   6.145
  325    H    VAL  44           H        VAL  44  -0.788  -3.233   0.876
  326    HA   VAL  44           HA       VAL  44   0.332  -0.605  -0.027
  327    HB   VAL  44           HB       VAL  44  -0.678  -3.031  -1.577
  328   HG11  VAL  44          1HG1      VAL  44   0.669  -0.558  -2.711
  329   HG12  VAL  44          2HG1      VAL  44   0.068  -1.958  -3.608
  330   HG13  VAL  44          3HG1      VAL  44  -1.079  -0.887  -2.804
  331   HG21  VAL  44          3HG2      VAL  44   2.172  -1.999  -1.340
  332   HG22  VAL  44          1HG2      VAL  44   1.540  -3.477  -0.582
  333   HG23  VAL  44          2HG2      VAL  44   1.626  -3.359  -2.341
  334    H    ARG  45           H        ARG  45  -1.208   0.979   0.025
  335    HA   ARG  45           HA       ARG  45  -4.080   0.322  -0.509
  336    HE   ARG  45           HE       ARG  45  -4.287  -1.438   0.705
  337    HB2  ARG  45           2HB      ARG  45  -2.960   2.352   1.491
  338    HB3  ARG  45           3HB      ARG  45  -4.645   2.229   1.037
  339    HG2  ARG  45           2HG      ARG  45  -3.066   0.172   2.638
  340    HG3  ARG  45           3HG      ARG  45  -4.231   1.333   3.237
  341    HD2  ARG  45           2HD      ARG  45  -5.589  -0.455   3.204
  342    HD3  ARG  45           3HD      ARG  45  -5.911   0.166   1.585
  343   HH11  ARG  45          1HH2      ARG  45  -5.618  -2.282   3.925
  344   HH12  ARG  45          2HH2      ARG  45  -4.851  -3.841   3.921
  345   HH21  ARG  45          1HH1      ARG  45  -3.261  -3.379   0.823
  346   HH22  ARG  45          2HH1      ARG  45  -3.568  -4.498   2.143
  347    H    GLY  46           H        GLY  46  -4.985   1.835  -2.037
  348    HA2  GLY  46           2HA      GLY  46  -3.915   4.464  -2.307
  349    HA3  GLY  46           1HA      GLY  46  -3.349   3.450  -3.647
  350    H    TYR  47           H        TYR  47  -5.286   5.778  -3.492
  351    HA   TYR  47           HA       TYR  47  -7.496   4.604  -4.990
  352    HD1  TYR  47           HD1      TYR  47  -9.510   2.901  -3.511
  353    HD2  TYR  47           HD2      TYR  47  -6.878   4.965  -0.809
  354    HE1  TYR  47           HE1      TYR  47  -9.369   0.851  -2.108
  355    HE2  TYR  47           HE2      TYR  47  -6.746   2.939   0.625
  356    HH   TYR  47           HH       TYR  47  -8.426  -0.131  -0.207
  357    HB2  TYR  47           2HB      TYR  47  -8.101   6.177  -2.474
  358    HB3  TYR  47           3HB      TYR  47  -9.245   5.390  -3.552
  359    H    LYS  48           H        LYS  48  -8.838   6.363  -6.017
  360    HA   LYS  48           HA       LYS  48  -7.304   8.740  -6.671
  361    HB2  LYS  48           2HB      LYS  48 -10.033   7.629  -7.365
  362    HB3  LYS  48           3HB      LYS  48  -9.753   9.357  -7.582
  363    HG2  LYS  48           2HG      LYS  48  -7.858   8.973  -9.037
  364    HG3  LYS  48           3HG      LYS  48  -7.981   7.216  -8.813
  365    HD2  LYS  48           2HD      LYS  48  -9.939   7.037 -10.091
  366    HD3  LYS  48           3HD      LYS  48 -10.398   8.714  -9.810
  367    HE2  LYS  48           2HE      LYS  48  -9.784   8.460 -12.115
  368    HE3  LYS  48           3HE      LYS  48  -8.654   9.536 -11.297
  369    HZ1  LYS  48           3HZ      LYS  48  -7.035   7.721 -11.254
  370    HZ2  LYS  48           1HZ      LYS  48  -8.097   6.687 -11.974
  371    HZ3  LYS  48           2HZ      LYS  48  -7.553   7.999 -12.770
  372    H    TRP  49           H        TRP  49  -9.875   7.998  -4.280
  373    HA   TRP  49           HA       TRP  49 -10.498  10.706  -3.736
  374    HD1  TRP  49           HD1      TRP  49 -12.318   6.678  -3.099
  375    HE1  TRP  49           HE1      TRP  49 -11.657   4.688  -1.654
  376    HE3  TRP  49           HE3      TRP  49  -9.072   9.032   0.094
  377    HZ2  TRP  49           HZ2      TRP  49  -9.941   4.169   0.641
  378    HZ3  TRP  49           HZ3      TRP  49  -7.846   7.744   1.793
  379    HH2  TRP  49           HH2      TRP  49  -8.241   5.294   2.063
  380    HB2  TRP  49           2HB      TRP  49 -11.370   9.857  -1.555
  381    HB3  TRP  49           3HB      TRP  49 -12.051   9.178  -3.010
  382    H    ALA  50           H        ALA  50  -7.761   8.734  -2.636
  383    HA   ALA  50           HA       ALA  50  -6.828  10.944  -0.916
  384    HB1  ALA  50           3HB      ALA  50  -6.534   8.781   0.037
  385    HB2  ALA  50           1HB      ALA  50  -5.679   8.189  -1.424
  386    HB3  ALA  50           2HB      ALA  50  -4.971   9.465  -0.397
  387    H    GLU  51           H        GLU  51  -6.921  12.279  -2.953
  388    HA   GLU  51           HA       GLU  51  -5.059  11.937  -5.060
  389    HB2  GLU  51           2HB      GLU  51  -7.073  13.466  -4.953
  390    HB3  GLU  51           3HB      GLU  51  -6.187  14.509  -3.850
  391    HG2  GLU  51           2HG      GLU  51  -6.148  15.469  -6.049
  392    HG3  GLU  51           3HG      GLU  51  -4.517  14.970  -5.650
  393    H    TYR  52           H        TYR  52  -4.509  12.745  -1.735
  394    HA   TYR  52           HA       TYR  52  -1.686  13.448  -2.255
  395    HD1  TYR  52           HD2      TYR  52  -4.591  15.745  -2.310
  396    HD2  TYR  52           HD1      TYR  52  -3.657  14.627   1.735
  397    HE1  TYR  52           HE2      TYR  52  -6.862  16.493  -1.591
  398    HE2  TYR  52           HE1      TYR  52  -5.898  15.375   2.480
  399    HH   TYR  52           HH       TYR  52  -7.945  16.287   1.836
  400    HB2  TYR  52           2HB      TYR  52  -1.941  14.673   0.050
  401    HB3  TYR  52           3HB      TYR  52  -2.239  15.477  -1.478
  402    H    HIS  53           H        HIS  53  -0.233  12.594  -0.481
  403    HA   HIS  53           HA       HIS  53  -1.106   9.824  -0.090
  404    HD2  HIS  53           HD2      HIS  53   0.551   8.204  -1.675
  405    HE1  HIS  53           HE1      HIS  53   2.549  10.979  -4.209
  406    HE2  HIS  53           HE2      HIS  53   1.533   8.641  -4.055
  407    HB2  HIS  53           2HB      HIS  53   1.522  11.238   0.548
  408    HB3  HIS  53           3HB      HIS  53   1.225   9.519   0.688
  409    H    ALA  54           H        ALA  54  -0.435  12.741   1.833
  410    HA   ALA  54           HA       ALA  54  -0.655  11.661   4.411
  411    HB1  ALA  54           3HB      ALA  54  -0.156  14.033   3.964
  412    HB2  ALA  54           1HB      ALA  54  -1.833  14.291   3.417
  413    HB3  ALA  54           2HB      ALA  54  -1.499  13.863   5.108
  414    H    ASP  55           H        ASP  55  -3.306  12.006   2.021
  415    HA   ASP  55           HA       ASP  55  -5.395  11.886   4.002
  416    HB2  ASP  55           2HB      ASP  55  -5.637  12.697   1.576
  417    HB3  ASP  55           3HB      ASP  55  -5.634  11.025   1.105
  418    H    ILE  56           H        ILE  56  -3.927   9.390   1.830
  419    HA   ILE  56           HA       ILE  56  -5.479   7.258   2.996
  420    HB   ILE  56           HB       ILE  56  -3.306   5.927   2.070
  421   HG12  ILE  56          2HG1      ILE  56  -3.241   8.471   0.470
  422   HG13  ILE  56          3HG1      ILE  56  -1.953   7.511   1.167
  423   HG21  ILE  56          1HG2      ILE  56  -5.733   6.680   0.464
  424   HG22  ILE  56          2HG2      ILE  56  -4.689   5.255   0.232
  425   HG23  ILE  56          3HG2      ILE  56  -5.617   5.425   1.711
  426   HD11  ILE  56          3HD1      ILE  56  -2.434   5.745  -0.579
  427   HD12  ILE  56          1HD1      ILE  56  -3.653   6.821  -1.285
  428   HD13  ILE  56          2HD1      ILE  56  -1.952   7.312  -1.261
  429    H    TYR  57           H        TYR  57  -2.211   8.665   3.724
  430    HA   TYR  57           HA       TYR  57  -1.587   6.596   5.549
  431    HD1  TYR  57           HD1      TYR  57   0.302   5.988   6.644
  432    HD2  TYR  57           HD2      TYR  57   0.228  10.175   7.681
  433    HE1  TYR  57           HE1      TYR  57   1.295   5.443   8.823
  434    HE2  TYR  57           HE2      TYR  57   1.252   9.646   9.873
  435    HH   TYR  57           HH       TYR  57   2.015   6.287  10.898
  436    HB2  TYR  57           2HB      TYR  57   0.140   8.156   4.858
  437    HB3  TYR  57           3HB      TYR  57  -0.713   9.499   5.624
  438    H    ASP  58           H        ASP  58  -3.260   9.764   6.202
  439    HA   ASP  58           HA       ASP  58  -3.628   9.301   8.959
  440    HB2  ASP  58           2HB      ASP  58  -3.946  11.491   7.942
  441    HB3  ASP  58           3HB      ASP  58  -5.306  10.892   6.985
  442    H    LYS  59           H        LYS  59  -5.809   8.500   6.204
  443    HA   LYS  59           HA       LYS  59  -7.952   7.446   7.777
  444    HB2  LYS  59           2HB      LYS  59  -8.233   8.101   5.491
  445    HB3  LYS  59           3HB      LYS  59  -7.029   6.950   4.915
  446    HG2  LYS  59           2HG      LYS  59  -8.443   5.162   4.981
  447    HG3  LYS  59           3HG      LYS  59  -9.329   5.744   6.410
  448    HD2  LYS  59           2HD      LYS  59 -10.566   7.347   5.123
  449    HD3  LYS  59           3HD      LYS  59  -9.578   7.053   3.684
  450    HE2  LYS  59           2HE      LYS  59 -10.393   4.665   3.670
  451    HE3  LYS  59           3HE      LYS  59 -11.468   5.061   5.018
  452    HZ1  LYS  59           3HZ      LYS  59 -12.558   6.683   3.567
  453    HZ2  LYS  59           1HZ      LYS  59 -11.557   6.302   2.326
  454    HZ3  LYS  59           2HZ      LYS  59 -12.615   5.199   2.900
  455    H    VAL  60           H        VAL  60  -5.119   5.785   6.257
  456    HA   VAL  60           HA       VAL  60  -6.126   3.234   7.151
  457    HB   VAL  60           HB       VAL  60  -3.500   4.038   5.853
  458   HG11  VAL  60          1HG1      VAL  60  -4.721   1.268   6.315
  459   HG12  VAL  60          2HG1      VAL  60  -3.292   1.608   5.303
  460   HG13  VAL  60          3HG1      VAL  60  -3.234   1.885   7.043
  461   HG21  VAL  60          3HG2      VAL  60  -5.890   2.636   4.580
  462   HG22  VAL  60          1HG2      VAL  60  -5.707   4.392   4.533
  463   HG23  VAL  60          2HG2      VAL  60  -4.478   3.400   3.789
  464    H    SER  61           H        SER  61  -3.512   5.482   8.402
  465    HA   SER  61           HA       SER  61  -2.624   3.580  10.352
  466    HG   SER  61           HG       SER  61  -1.900   7.573  10.558
  467    HB2  SER  61           2HB      SER  61  -1.597   5.450  11.481
  468    HB3  SER  61           3HB      SER  61  -1.316   5.573   9.739
  469    H    GLY  62           H        GLY  62  -5.223   6.052  10.313
  470    HA2  GLY  62           2HA      GLY  62  -6.247   5.712  12.903
  471    HA3  GLY  62           1HA      GLY  62  -7.186   6.143  11.459
  472    H    ASP  63           H        ASP  63  -7.206   3.903   9.875
  473    HA   ASP  63           HA       ASP  63  -9.036   2.195  11.186
  474    HB2  ASP  63           2HB      ASP  63  -8.931   2.478   8.735
  475    HB3  ASP  63           3HB      ASP  63  -7.409   1.585   8.702
  476    H    MET  64           H        MET  64  -5.565   1.632  10.425
  477    HA   MET  64           HA       MET  64  -5.379  -0.963  11.539
  478    HB2  MET  64           2HB      MET  64  -3.337   1.287  11.326
  479    HB3  MET  64           3HB      MET  64  -2.930  -0.366  11.750
  480    HG2  MET  64           2HG      MET  64  -4.327   0.352   9.142
  481    HG3  MET  64           3HG      MET  64  -2.600   0.219   9.299
  482    HE1  MET  64           3HE      MET  64  -6.012  -1.577   9.453
  483    HE2  MET  64           1HE      MET  64  -5.353  -1.358   7.806
  484    HE3  MET  64           2HE      MET  64  -5.578  -2.995   8.467
  485    H    GLN  65           H        GLN  65  -4.824   2.246  13.118
  486    HA   GLN  65           HA       GLN  65  -4.257   1.192  15.691
  487    HB2  GLN  65           2HB      GLN  65  -5.220   3.848  14.620
  488    HB3  GLN  65           3HB      GLN  65  -4.982   3.605  16.348
  489    HG2  GLN  65           2HG      GLN  65  -2.695   2.878  14.481
  490    HG3  GLN  65           3HG      GLN  65  -3.050   4.572  14.761
  491   HE21  GLN  65          2HE2      GLN  65  -2.114   1.529  16.447
  492   HE22  GLN  65          1HE2      GLN  65  -1.485   2.340  17.866
  493    H    LYS  66           H        LYS  66  -7.394   2.021  14.127
  494    HA   LYS  66           HA       LYS  66  -8.944   1.478  16.490
  495    HB2  LYS  66           2HB      LYS  66  -9.635   1.541  13.531
  496    HB3  LYS  66           3HB      LYS  66 -10.820   1.118  14.769
  497    HG2  LYS  66           2HG      LYS  66 -10.500   3.245  15.913
  498    HG3  LYS  66           3HG      LYS  66  -9.251   3.738  14.780
  499    HD2  LYS  66           2HD      LYS  66 -12.160   3.188  14.051
  500    HD3  LYS  66           3HD      LYS  66 -11.474   4.784  14.380
  501    HE2  LYS  66           2HE      LYS  66  -9.891   4.499  12.465
  502    HE3  LYS  66           3HE      LYS  66 -10.628   2.931  12.110
  503    HZ1  LYS  66           3HZ      LYS  66 -12.727   4.081  11.699
  504    HZ2  LYS  66           1HZ      LYS  66 -12.049   5.530  12.029
  505    HZ3  LYS  66           2HZ      LYS  66 -11.562   4.678  10.730
  506    H    GLN  67           H        GLN  67  -7.713  -0.708  13.868
  507    HA   GLN  67           HA       GLN  67  -8.978  -3.035  15.059
  508    HB2  GLN  67           2HB      GLN  67  -6.599  -2.799  13.161
  509    HB3  GLN  67           3HB      GLN  67  -7.353  -4.308  13.678
  510    HG2  GLN  67           2HG      GLN  67  -9.544  -3.483  12.724
  511    HG3  GLN  67           3HG      GLN  67  -8.691  -2.086  12.076
  512   HE21  GLN  67          2HE2      GLN  67  -8.300  -2.357   9.842
  513   HE22  GLN  67          1HE2      GLN  67  -7.906  -3.906   9.129
  514    H    GLY  68           H        GLY  68  -6.216  -1.137  15.961
  515    HA2  GLY  68           2HA      GLY  68  -5.336  -1.362  18.177
  516    HA3  GLY  68           1HA      GLY  68  -5.482  -3.118  18.064
  517    H    CYS  69           H        CYS  69  -4.373  -2.255  15.065
  518    HA   CYS  69           HA       CYS  69  -1.652  -3.158  15.523
  519    HG   CYS  69           HG       CYS  69  -3.037  -4.303  11.976
  520    HB2  CYS  69           2HB      CYS  69  -3.160  -1.982  13.153
  521    HB3  CYS  69           3HB      CYS  69  -1.478  -2.497  13.061
  522    H    ASP  70           H        ASP  70   0.213  -1.813  14.696
  523    HA   ASP  70           HA       ASP  70  -0.117   1.119  15.039
  524    HB2  ASP  70           2HB      ASP  70   0.977   0.333  17.086
  525    HB3  ASP  70           3HB      ASP  70   2.150  -0.588  16.132
  526    H    CYS  71           H        CYS  71   1.321   2.291  13.593
  527    HA   CYS  71           HA       CYS  71   2.406   0.675  11.361
  528    HG   CYS  71           HG       CYS  71  -1.108   0.820   9.718
  529    HB2  CYS  71           2HB      CYS  71   0.067   2.645  11.290
  530    HB3  CYS  71           3HB      CYS  71   0.957   2.194   9.845
  531    H    GLU  72           H        GLU  72   3.478   1.939   9.670
  532    HA   GLU  72           HA       GLU  72   3.948   4.795  10.093
  533    HB2  GLU  72           2HB      GLU  72   5.821   3.777  11.313
  534    HB3  GLU  72           3HB      GLU  72   6.093   2.619  10.010
  535    HG2  GLU  72           2HG      GLU  72   7.794   4.274   9.902
  536    HG3  GLU  72           3HG      GLU  72   6.754   4.450   8.500
  537    H    CYS  73           H        CYS  73   4.140   5.770   7.980
  538    HA   CYS  73           HA       CYS  73   3.746   3.984   5.649
  539    HG   CYS  73           HG       CYS  73   3.030   8.426   5.532
  540    HB2  CYS  73           2HB      CYS  73   3.793   6.209   4.382
  541    HB3  CYS  73           3HB      CYS  73   2.387   5.887   5.383
  542    H    LEU  74           H        LEU  74   5.504   3.073   4.777
  543    HA   LEU  74           HA       LEU  74   8.203   3.979   5.427
  544    HG   LEU  74           HG       LEU  74   6.690   1.018   5.456
  545    HB2  LEU  74           2HB      LEU  74   7.253   1.994   3.317
  546    HB3  LEU  74           3HB      LEU  74   8.916   2.273   3.815
  547   HD11  LEU  74          1HD1      LEU  74   9.425  -0.052   4.632
  548   HD12  LEU  74          2HD1      LEU  74   8.127  -0.943   5.457
  549   HD13  LEU  74          3HD1      LEU  74   7.912  -0.412   3.787
  550   HD21  LEU  74          3HD2      LEU  74   9.480   1.829   6.390
  551   HD22  LEU  74          1HD2      LEU  74   7.920   2.389   7.043
  552   HD23  LEU  74          2HD2      LEU  74   8.413   0.713   7.264
  553    H    GLY  75           H        GLY  75   5.805   4.645   2.935
  554    HA2  GLY  75           2HA      GLY  75   6.745   7.115   2.282
  555    HA3  GLY  75           1HA      GLY  75   7.555   6.059   1.115
  556    H    GLY  76           H        GLY  76   6.178   7.350  -0.423
  557    HA2  GLY  76           2HA      GLY  76   3.846   5.709  -1.083
  558    HA3  GLY  76           1HA      GLY  76   3.524   7.444  -0.882
  559    H    GLY  77           H        GLY  77   2.917   6.638  -3.215
  560    HA2  GLY  77           2HA      GLY  77   4.593   7.907  -5.147
  561    HA3  GLY  77           1HA      GLY  77   4.743   6.139  -5.253
  562    H    ARG  78           H        ARG  78   3.555   6.303  -7.394
  563    HA   ARG  78           HA       ARG  78   0.666   6.095  -6.832
  564    HE   ARG  78           HE       ARG  78   2.438   9.459 -12.067
  565    HB2  ARG  78           2HB      ARG  78   0.040   7.379  -8.811
  566    HB3  ARG  78           3HB      ARG  78   0.916   8.386  -7.656
  567    HG2  ARG  78           2HG      ARG  78   2.978   8.120  -9.041
  568    HG3  ARG  78           3HG      ARG  78   2.036   7.127 -10.174
  569    HD2  ARG  78           2HD      ARG  78   0.602   8.993 -10.736
  570    HD3  ARG  78           3HD      ARG  78   1.254   9.984  -9.435
  571   HH11  ARG  78          1HH1      ARG  78   3.094  10.708  -8.776
  572   HH12  ARG  78          2HH1      ARG  78   4.500  11.592  -9.300
  573   HH21  ARG  78          1HH2      ARG  78   4.279  10.710 -12.668
  574   HH22  ARG  78          2HH2      ARG  78   5.152  11.597 -11.445
  575    H    ILE  79           H        ILE  79  -0.440   4.968  -8.497
  576    HA   ILE  79           HA       ILE  79   1.228   2.822  -9.701
  577    HB   ILE  79           HB       ILE  79  -1.500   2.696  -8.337
  578   HG12  ILE  79          2HG1      ILE  79   1.097   1.247  -7.647
  579   HG13  ILE  79          3HG1      ILE  79   0.527   2.696  -6.830
  580   HG21  ILE  79          1HG2      ILE  79   0.005   0.473  -9.807
  581   HG22  ILE  79          2HG2      ILE  79  -1.503   0.263  -8.889
  582   HG23  ILE  79          3HG2      ILE  79  -1.509   1.236 -10.341
  583   HD11  ILE  79          3HD1      ILE  79  -1.514   1.478  -6.090
  584   HD12  ILE  79          1HD1      ILE  79  -0.849  -0.015  -6.796
  585   HD13  ILE  79          2HD1      ILE  79  -0.002   0.787  -5.473
  586    H    SER  80           H        SER  80   0.639   2.346 -11.830
  587    HA   SER  80           HA       SER  80  -1.634   3.820 -13.043
  588    HG   SER  80           HG       SER  80   1.254   5.844 -13.902
  589    HB2  SER  80           2HB      SER  80   1.116   3.602 -14.314
  590    HB3  SER  80           3HB      SER  80  -0.300   4.495 -14.911
  591    H    HIS  81           H        HIS  81  -2.550   2.752 -14.784
  592    HA   HIS  81           HA       HIS  81  -1.587   0.009 -15.455
  593    HD1  HIS  81           HD1      HIS  81  -6.327  -0.357 -15.268
  594    HD2  HIS  81           HD2      HIS  81  -2.722  -2.422 -15.980
  595    HE1  HIS  81           HE1      HIS  81  -6.937  -2.436 -16.627
  596    HB2  HIS  81           2HB      HIS  81  -3.150  -0.379 -13.693
  597    HB3  HIS  81           3HB      HIS  81  -4.283   0.813 -14.327
  598    H    GLN  82           H        GLN  82  -3.612   2.860 -16.309
  599    HA   GLN  82           HA       GLN  82  -3.859   1.889 -19.094
  600    HB2  GLN  82           2HB      GLN  82  -4.747   4.491 -17.790
  601    HB3  GLN  82           3HB      GLN  82  -4.988   4.054 -19.483
  602    HG2  GLN  82           2HG      GLN  82  -6.352   2.095 -18.831
  603    HG3  GLN  82           3HG      GLN  82  -6.157   2.512 -17.132
  604   HE21  GLN  82          2HE2      GLN  82  -8.533   2.766 -16.882
  605   HE22  GLN  82          1HE2      GLN  82  -9.307   4.186 -17.543
  606    H    SER  83           H        SER  83  -1.224   2.084 -18.001
  607    HA   SER  83           HA       SER  83   0.184   4.447 -18.730
  608    HG   SER  83           HG       SER  83   1.284   1.932 -16.245
  609    HB2  SER  83           2HB      SER  83   1.301   1.641 -18.465
  610    HB3  SER  83           3HB      SER  83   2.075   3.175 -18.051
  611    H    GLN  84           H        GLN  84   2.273   3.894 -20.256
  612    HA   GLN  84           HA       GLN  84   1.399   3.873 -22.919
  613    HB2  GLN  84           2HB      GLN  84   3.487   4.885 -22.088
  614    HB3  GLN  84           3HB      GLN  84   4.144   3.288 -21.733
  615    HG2  GLN  84           2HG      GLN  84   5.115   4.218 -23.765
  616    HG3  GLN  84           3HG      GLN  84   4.231   2.749 -24.127
  617   HE21  GLN  84          2HE2      GLN  84   2.146   2.937 -25.253
  618   HE22  GLN  84          1HE2      GLN  84   1.792   4.365 -26.213
  619    H    ASP  85           H        ASP  85   1.953   1.150 -20.816
  620    HA   ASP  85           HA       ASP  85   1.102  -0.683 -22.938
  621    HB2  ASP  85           2HB      ASP  85   3.555  -0.987 -22.889
  622    HB3  ASP  85           3HB      ASP  85   3.514  -1.179 -21.134
  623    H    LYS  86           H        LYS  86  -0.023  -2.550 -21.906
  624    HA   LYS  86           HA       LYS  86  -1.602  -1.676 -19.695
  625    HB2  LYS  86           2HB      LYS  86  -1.337  -4.426 -20.982
  626    HB3  LYS  86           3HB      LYS  86  -2.575  -3.977 -19.802
  627    HG2  LYS  86           2HG      LYS  86  -3.362  -2.158 -21.323
  628    HG3  LYS  86           3HG      LYS  86  -2.223  -2.709 -22.557
  629    HD2  LYS  86           2HD      LYS  86  -4.489  -4.371 -21.369
  630    HD3  LYS  86           3HD      LYS  86  -4.533  -3.527 -22.924
  631    HE2  LYS  86           2HE      LYS  86  -2.605  -4.897 -23.718
  632    HE3  LYS  86           3HE      LYS  86  -2.605  -5.776 -22.183
  633    HZ1  LYS  86           3HZ      LYS  86  -4.845  -6.555 -22.706
  634    HZ2  LYS  86           1HZ      LYS  86  -4.840  -5.746 -24.128
  635    HZ3  LYS  86           2HZ      LYS  86  -3.808  -6.980 -23.887
  636    H    LYS  87           H        LYS  87   1.500  -3.325 -19.639
  637    HA   LYS  87           HA       LYS  87   1.247  -4.726 -17.188
  638    HB2  LYS  87           2HB      LYS  87   3.180  -4.746 -18.804
  639    HB3  LYS  87           3HB      LYS  87   3.705  -3.183 -18.142
  640    HG2  LYS  87           2HG      LYS  87   3.983  -4.222 -15.921
  641    HG3  LYS  87           3HG      LYS  87   3.356  -5.753 -16.549
  642    HD2  LYS  87           2HD      LYS  87   5.940  -4.381 -17.403
  643    HD3  LYS  87           3HD      LYS  87   5.782  -5.823 -16.393
  644    HE2  LYS  87           2HE      LYS  87   4.560  -6.910 -18.389
  645    HE3  LYS  87           3HE      LYS  87   5.153  -5.550 -19.354
  646    HZ1  LYS  87           3HZ      LYS  87   7.428  -6.233 -18.651
  647    HZ2  LYS  87           1HZ      LYS  87   6.769  -7.550 -17.892
  648    HZ3  LYS  87           2HZ      LYS  87   6.661  -7.388 -19.515
  649    H    ILE  88           H        ILE  88   1.096  -4.057 -15.077
  650    HA   ILE  88           HA       ILE  88   0.284  -1.320 -14.592
  651    HB   ILE  88           HB       ILE  88   0.858  -3.625 -12.688
  652   HG12  ILE  88          2HG1      ILE  88  -1.818  -2.712 -13.829
  653   HG13  ILE  88          3HG1      ILE  88  -0.941  -4.145 -14.363
  654   HG21  ILE  88          1HG2      ILE  88  -0.823  -1.119 -12.189
  655   HG22  ILE  88          2HG2      ILE  88  -0.485  -2.414 -11.024
  656   HG23  ILE  88          3HG2      ILE  88   0.811  -1.365 -11.549
  657   HD11  ILE  88          3HD1      ILE  88  -1.122  -5.105 -12.066
  658   HD12  ILE  88          1HD1      ILE  88  -2.184  -3.741 -11.626
  659   HD13  ILE  88          2HD1      ILE  88  -2.669  -4.865 -12.899
  660    H    HIS  89           H        HIS  89   1.494   0.222 -13.237
  661    HA   HIS  89           HA       HIS  89   4.368  -0.413 -12.883
  662    HD1  HIS  89           HD1      HIS  89   6.389  -0.292 -14.699
  663    HD2  HIS  89           HD2      HIS  89   5.636   3.662 -13.442
  664    HE1  HIS  89           HE1      HIS  89   8.660   0.847 -14.499
  665    HB2  HIS  89           2HB      HIS  89   3.825   0.841 -15.094
  666    HB3  HIS  89           3HB      HIS  89   3.489   2.232 -14.060
  667    H    VAL  90           H        VAL  90   5.401   0.901 -11.274
  668    HA   VAL  90           HA       VAL  90   3.634   2.549  -9.553
  669    HB   VAL  90           HB       VAL  90   5.661   0.560  -8.461
  670   HG11  VAL  90          1HG1      VAL  90   3.283   1.975  -7.171
  671   HG12  VAL  90          2HG1      VAL  90   4.460   0.925  -6.353
  672   HG13  VAL  90          3HG1      VAL  90   4.969   2.482  -7.032
  673   HG21  VAL  90          3HG2      VAL  90   2.679   0.057  -8.820
  674   HG22  VAL  90          1HG2      VAL  90   4.019  -0.864  -9.527
  675   HG23  VAL  90          2HG2      VAL  90   3.765  -0.902  -7.785
  676    H    TYR  91           H        TYR  91   4.657   4.526  -9.134
  677    HA   TYR  91           HA       TYR  91   7.528   4.823  -9.108
  678    HD1  TYR  91           HD2      TYR  91   4.128   5.503 -11.012
  679    HD2  TYR  91           HD1      TYR  91   7.529   7.311 -12.976
  680    HE1  TYR  91           HE2      TYR  91   2.628   6.965 -12.256
  681    HE2  TYR  91           HE1      TYR  91   6.012   8.804 -14.221
  682    HH   TYR  91           HH       TYR  91   3.766   9.376 -14.660
  683    HB2  TYR  91           2HB      TYR  91   7.903   5.954 -11.110
  684    HB3  TYR  91           3HB      TYR  91   7.056   4.514 -11.590
  685    H    GLY  92           H        GLY  92   7.948   7.408  -9.357
  686    HA2  GLY  92           2HA      GLY  92   7.378   9.584  -8.690
  687    HA3  GLY  92           1HA      GLY  92   5.730   9.053  -8.345
  688    H    TYR  93           H        TYR  93   6.345  10.541  -6.399
  689    HA   TYR  93           HA       TYR  93   6.915   8.815  -4.146
  690    HD1  TYR  93           HD1      TYR  93   8.119  12.850  -3.986
  691    HD2  TYR  93           HD2      TYR  93  10.432  10.054  -6.324
  692    HE1  TYR  93           HE1      TYR  93   9.200  14.732  -5.150
  693    HE2  TYR  93           HE2      TYR  93  11.543  11.934  -7.476
  694    HH   TYR  93           HH       TYR  93  10.784  15.374  -6.738
  695    HB2  TYR  93           2HB      TYR  93   8.719  10.326  -3.248
  696    HB3  TYR  93           3HB      TYR  93   9.153   9.256  -4.557
  697    H    SER  94           H        SER  94   6.453   9.797  -2.106
  698    HA   SER  94           HA       SER  94   4.502  12.007  -2.135
  699    HG   SER  94           HG       SER  94   4.047  12.374   0.467
  700    HB2  SER  94           2HB      SER  94   4.013  10.260  -0.577
  701    HB3  SER  94           3HB      SER  94   5.696  10.121  -0.081
  702    H    MET  95           H        MET  95   5.008  13.911  -0.586
  703    HA   MET  95           HA       MET  95   7.946  14.532  -0.629
  704    HB2  MET  95           2HB      MET  95   7.461  16.861  -0.668
  705    HB3  MET  95           3HB      MET  95   6.754  16.075  -2.081
  706    HG2  MET  95           2HG      MET  95   4.546  16.092  -1.012
  707    HG3  MET  95           3HG      MET  95   5.207  16.834   0.436
  708    HE1  MET  95           3HE      MET  95   5.899  19.330   0.692
  709    HE2  MET  95           1HE      MET  95   7.164  19.143  -0.545
  710    HE3  MET  95           2HE      MET  95   6.018  20.491  -0.647
  711    H    ALA  96           H        ALA  96   4.923  14.383   1.332
  712    HA   ALA  96           HA       ALA  96   6.311  15.371   3.706
  713    HB1  ALA  96           3HB      ALA  96   3.906  15.587   3.567
  714    HB2  ALA  96           1HB      ALA  96   3.717  13.833   3.353
  715    HB3  ALA  96           2HB      ALA  96   4.309  14.484   4.896
  716    H    TYR  97           H        TYR  97   5.934  12.229   2.125
  717    HA   TYR  97           HA       TYR  97   7.362  10.906   4.385
  718    HD1  TYR  97           HD1      TYR  97   5.459  10.381   6.286
  719    HD2  TYR  97           HD2      TYR  97   3.310  11.078   2.610
  720    HE1  TYR  97           HE1      TYR  97   3.618  11.432   7.563
  721    HE2  TYR  97           HE2      TYR  97   1.466  12.076   3.866
  722    HH   TYR  97           HH       TYR  97   1.528  12.483   7.440
  723    HB2  TYR  97           2HB      TYR  97   5.258   9.670   2.595
  724    HB3  TYR  97           3HB      TYR  97   5.919   9.030   4.088
  725    H    GLY  98           H        GLY  98   7.642  11.633   1.047
  726    HA2  GLY  98           2HA      GLY  98   9.458  11.195  -0.293
  727    HA3  GLY  98           1HA      GLY  98  10.109  10.150   0.965
  728    HA   PRO  99           HA       PRO  99   8.682   7.512  -2.663
  729    HB2  PRO  99           2HB      PRO  99  11.117   6.276  -3.131
  730    HB3  PRO  99           3HB      PRO  99  10.602   7.771  -3.945
  731    HG2  PRO  99           2HG      PRO  99  12.410   7.473  -1.546
  732    HG3  PRO  99           3HG      PRO  99  12.606   8.552  -2.962
  733    HD2  PRO  99           2HD      PRO  99  11.618   9.428  -0.572
  734    HD3  PRO  99           3HD      PRO  99  11.028  10.086  -2.126
  735    H    ALA 100           H        ALA 100   7.900   5.522  -2.194
  736    HA   ALA 100           HA       ALA 100   8.607   4.110   0.283
  737    HB1  ALA 100           3HB      ALA 100   6.287   4.054  -0.597
  738    HB2  ALA 100           1HB      ALA 100   6.896   3.431  -2.144
  739    HB3  ALA 100           2HB      ALA 100   7.002   2.431  -0.678
  740    H    GLN 101           H        GLN 101   9.184   1.738   0.088
  741    HA   GLN 101           HA       GLN 101  11.303   1.235  -1.912
  742    HB2  GLN 101           2HB      GLN 101  10.150  -0.459   0.353
  743    HB3  GLN 101           3HB      GLN 101  11.379  -1.026  -0.780
  744    HG2  GLN 101           2HG      GLN 101  11.650   1.281   1.172
  745    HG3  GLN 101           3HG      GLN 101  12.386  -0.326   1.304
  746   HE21  GLN 101          2HE2      GLN 101  13.138   2.824   0.478
  747   HE22  GLN 101          1HE2      GLN 101  14.461   2.520  -0.617
  748    H    HIS 102           H        HIS 102   9.862   1.557  -3.719
  749    HA   HIS 102           HA       HIS 102   7.467   0.254  -4.129
  750    HD1  HIS 102           HD1      HIS 102   9.734   3.752  -5.658
  751    HD2  HIS 102           HD2      HIS 102   5.949   2.106  -4.856
  752    HE1  HIS 102           HE1      HIS 102   8.263   5.660  -4.813
  753    HB2  HIS 102           2HB      HIS 102   9.522   1.148  -6.158
  754    HB3  HIS 102           3HB      HIS 102   7.865   0.681  -6.557
  755    H    ALA 103           H        ALA 103  10.477  -1.275  -4.014
  756    HA   ALA 103           HA       ALA 103  10.137  -3.592  -5.644
  757    HB1  ALA 103           3HB      ALA 103  12.283  -2.960  -4.581
  758    HB2  ALA 103           1HB      ALA 103  11.568  -3.136  -2.962
  759    HB3  ALA 103           2HB      ALA 103  11.773  -4.560  -4.007
  760    H    ILE 104           H        ILE 104   9.078  -2.756  -2.293
  761    HA   ILE 104           HA       ILE 104   7.997  -5.359  -1.691
  762    HB   ILE 104           HB       ILE 104   7.338  -2.616  -0.521
  763   HG12  ILE 104          2HG1      ILE 104   9.379  -4.671   0.454
  764   HG13  ILE 104          3HG1      ILE 104   9.774  -3.153  -0.353
  765   HG21  ILE 104          1HG2      ILE 104   6.942  -5.404   0.663
  766   HG22  ILE 104          2HG2      ILE 104   6.511  -3.862   1.438
  767   HG23  ILE 104          3HG2      ILE 104   5.656  -4.377  -0.004
  768   HD11  ILE 104          3HD1      ILE 104   8.618  -1.909   1.499
  769   HD12  ILE 104          1HD1      ILE 104   8.520  -3.451   2.389
  770   HD13  ILE 104          2HD1      ILE 104  10.098  -2.778   1.956
  771    H    SER 105           H        SER 105   6.629  -2.228  -2.918
  772    HA   SER 105           HA       SER 105   3.978  -2.968  -3.017
  773    HG   SER 105           HG       SER 105   5.178   0.426  -3.446
  774    HB2  SER 105           2HB      SER 105   5.180  -1.207  -5.157
  775    HB3  SER 105           3HB      SER 105   3.665  -1.018  -4.253
  776    H    THR 106           H        THR 106   6.456  -3.303  -5.708
  777    HA   THR 106           HA       THR 106   4.488  -4.284  -7.505
  778    HB   THR 106           HB       THR 106   6.548  -5.120  -8.778
  779    HG1  THR 106           1HG      THR 106   8.520  -4.522  -8.001
  780   HG21  THR 106          3HG2      THR 106   5.379  -2.962  -9.107
  781   HG22  THR 106          1HG2      THR 106   6.456  -2.192  -7.927
  782   HG23  THR 106          2HG2      THR 106   7.111  -2.857  -9.445
  783    H    GLU 107           H        GLU 107   6.865  -6.091  -5.431
  784    HA   GLU 107           HA       GLU 107   6.062  -8.616  -6.407
  785    HB2  GLU 107           2HB      GLU 107   7.164  -7.813  -3.685
  786    HB3  GLU 107           3HB      GLU 107   6.967  -9.486  -4.213
  787    HG2  GLU 107           2HG      GLU 107   8.730  -7.402  -5.578
  788    HG3  GLU 107           3HG      GLU 107   9.286  -8.689  -4.519
  789    H    LYS 108           H        LYS 108   4.635  -6.640  -3.762
  790    HA   LYS 108           HA       LYS 108   2.696  -8.640  -3.020
  791    HB2  LYS 108           2HB      LYS 108   2.787  -5.615  -2.658
  792    HB3  LYS 108           3HB      LYS 108   1.489  -6.646  -2.039
  793    HG2  LYS 108           2HG      LYS 108   3.084  -7.969  -0.730
  794    HG3  LYS 108           3HG      LYS 108   4.414  -6.951  -1.279
  795    HD2  LYS 108           2HD      LYS 108   3.427  -4.979  -0.242
  796    HD3  LYS 108           3HD      LYS 108   1.977  -5.875   0.234
  797    HE2  LYS 108           2HE      LYS 108   4.757  -6.734   1.117
  798    HE3  LYS 108           3HE      LYS 108   3.844  -5.502   2.003
  799    HZ1  LYS 108           3HZ      LYS 108   2.294  -7.011   2.691
  800    HZ2  LYS 108           1HZ      LYS 108   2.471  -8.020   1.451
  801    HZ3  LYS 108           2HZ      LYS 108   3.608  -7.996   2.658
  802    H    ILE 109           H        ILE 109   2.469  -5.826  -5.310
  803    HA   ILE 109           HA       ILE 109  -0.284  -6.330  -5.896
  804    HB   ILE 109           HB       ILE 109   1.830  -4.833  -7.497
  805   HG12  ILE 109          2HG1      ILE 109  -0.410  -3.612  -5.812
  806   HG13  ILE 109          3HG1      ILE 109   1.126  -4.003  -5.087
  807   HG21  ILE 109          1HG2      ILE 109  -1.225  -4.602  -7.724
  808   HG22  ILE 109          2HG2      ILE 109  -0.015  -3.769  -8.716
  809   HG23  ILE 109          3HG2      ILE 109  -0.243  -5.505  -8.876
  810   HD11  ILE 109          3HD1      ILE 109   2.295  -2.554  -6.760
  811   HD12  ILE 109          1HD1      ILE 109   0.710  -2.067  -7.403
  812   HD13  ILE 109          2HD1      ILE 109   1.150  -1.674  -5.735
  813    H    LYS 110           H        LYS 110   2.753  -7.540  -7.458
  814    HA   LYS 110           HA       LYS 110   1.496  -8.982  -9.580
  815    HB2  LYS 110           2HB      LYS 110   3.996  -9.648  -7.969
  816    HB3  LYS 110           3HB      LYS 110   3.504 -10.495  -9.434
  817    HG2  LYS 110           2HG      LYS 110   3.925  -8.602 -10.832
  818    HG3  LYS 110           3HG      LYS 110   4.175  -7.533  -9.445
  819    HD2  LYS 110           2HD      LYS 110   6.073  -9.015  -8.707
  820    HD3  LYS 110           3HD      LYS 110   5.891  -9.935 -10.211
  821    HE2  LYS 110           2HE      LYS 110   6.436  -7.902 -11.517
  822    HE3  LYS 110           3HE      LYS 110   6.500  -6.952 -10.030
  823    HZ1  LYS 110           3HZ      LYS 110   8.334  -8.419  -9.289
  824    HZ2  LYS 110           1HZ      LYS 110   8.337  -9.155 -10.753
  825    HZ3  LYS 110           2HZ      LYS 110   8.710  -7.569 -10.650
  826    H    ALA 111           H        ALA 111   2.300  -9.997  -6.192
  827    HA   ALA 111           HA       ALA 111   1.272 -12.621  -6.453
  828    HB1  ALA 111           3HB      ALA 111   2.768 -11.905  -4.622
  829    HB2  ALA 111           1HB      ALA 111   1.478 -10.877  -3.955
  830    HB3  ALA 111           2HB      ALA 111   1.281 -12.640  -3.991
  831    H    LYS 112           H        LYS 112  -0.363  -9.571  -5.453
  832    HA   LYS 112           HA       LYS 112  -2.863 -10.796  -4.802
  833    HB2  LYS 112           2HB      LYS 112  -2.128  -8.504  -4.098
  834    HB3  LYS 112           3HB      LYS 112  -2.315  -7.966  -5.768
  835    HG2  LYS 112           2HG      LYS 112  -4.285  -7.287  -4.668
  836    HG3  LYS 112           3HG      LYS 112  -4.755  -8.686  -5.623
  837    HD2  LYS 112           2HD      LYS 112  -4.531 -10.093  -3.517
  838    HD3  LYS 112           3HD      LYS 112  -4.284  -8.599  -2.614
  839    HE2  LYS 112           2HE      LYS 112  -6.738  -9.369  -4.269
  840    HE3  LYS 112           3HE      LYS 112  -6.620  -9.395  -2.510
  841    HZ1  LYS 112           3HZ      LYS 112  -6.287  -6.955  -2.594
  842    HZ2  LYS 112           1HZ      LYS 112  -6.573  -6.978  -4.224
  843    HZ3  LYS 112           2HZ      LYS 112  -7.738  -7.428  -3.179
  844    H    TYR 113           H        TYR 113  -1.541  -9.602  -7.916
  845    HA   TYR 113           HA       TYR 113  -4.011 -10.600  -9.268
  846    HD1  TYR 113           HD2      TYR 113  -6.022  -8.963  -9.200
  847    HD2  TYR 113           HD1      TYR 113  -2.611  -6.506  -8.237
  848    HE1  TYR 113           HE2      TYR 113  -7.394  -7.706  -7.563
  849    HE2  TYR 113           HE1      TYR 113  -3.980  -5.214  -6.632
  850    HH   TYR 113           HH       TYR 113  -6.075  -4.978  -5.633
  851    HB2  TYR 113           2HB      TYR 113  -2.415  -8.107  -9.938
  852    HB3  TYR 113           3HB      TYR 113  -3.870  -8.677 -10.744
  853    HA   PRO 114           HA       PRO 114  -0.192 -12.712 -10.985
  854    HB2  PRO 114           2HB      PRO 114  -2.200 -14.955 -11.153
  855    HB3  PRO 114           3HB      PRO 114  -0.463 -15.024 -10.721
  856    HG2  PRO 114           2HG      PRO 114  -2.366 -15.173  -8.795
  857    HG3  PRO 114           3HG      PRO 114  -0.898 -14.173  -8.536
  858    HD2  PRO 114           2HD      PRO 114  -3.655 -13.265  -9.404
  859    HD3  PRO 114           3HD      PRO 114  -2.566 -12.584  -8.165
  860    H    ASP 115           H        ASP 115  -3.511 -12.297 -12.108
  861    HA   ASP 115           HA       ASP 115  -3.152 -13.176 -14.816
  862    HB2  ASP 115           2HB      ASP 115  -5.337 -12.948 -13.634
  863    HB3  ASP 115           3HB      ASP 115  -5.144 -11.194 -13.652
  864    H    TYR 116           H        TYR 116  -1.763 -10.543 -13.218
  865    HA   TYR 116           HA       TYR 116  -1.265  -9.034 -15.732
  866    HD1  TYR 116           HD2      TYR 116  -4.219  -8.775 -13.002
  867    HD2  TYR 116           HD1      TYR 116  -2.636  -6.260 -16.130
  868    HE1  TYR 116           HE2      TYR 116  -6.524  -8.270 -13.753
  869    HE2  TYR 116           HE1      TYR 116  -4.930  -5.756 -16.895
  870    HH   TYR 116           HH       TYR 116  -7.208  -6.113 -16.551
  871    HB2  TYR 116           2HB      TYR 116  -1.855  -7.936 -12.948
  872    HB3  TYR 116           3HB      TYR 116  -1.238  -6.979 -14.278
  873    H    GLU 117           H        GLU 117   0.676  -7.440 -15.100
  874    HA   GLU 117           HA       GLU 117   2.608  -8.651 -13.271
  875    HB2  GLU 117           2HB      GLU 117   3.175  -9.652 -15.433
  876    HB3  GLU 117           3HB      GLU 117   3.249  -8.062 -16.198
  877    HG2  GLU 117           2HG      GLU 117   5.161  -7.424 -14.908
  878    HG3  GLU 117           3HG      GLU 117   4.979  -8.796 -13.799
  879    H    VAL 118           H        VAL 118   4.291  -6.995 -12.749
  880    HA   VAL 118           HA       VAL 118   3.254  -4.248 -12.955
  881    HB   VAL 118           HB       VAL 118   4.102  -5.412 -10.303
  882   HG11  VAL 118          1HG1      VAL 118   2.110  -3.196 -10.874
  883   HG12  VAL 118          2HG1      VAL 118   2.904  -3.577  -9.345
  884   HG13  VAL 118          3HG1      VAL 118   3.836  -2.905 -10.699
  885   HG21  VAL 118          3HG2      VAL 118   1.204  -5.447 -11.249
  886   HG22  VAL 118          1HG2      VAL 118   2.205  -6.883 -10.962
  887   HG23  VAL 118          2HG2      VAL 118   1.822  -5.830  -9.625
  888    H    THR 119           H        THR 119   4.995  -2.740 -12.952
  889    HA   THR 119           HA       THR 119   7.707  -3.702 -12.182
  890    HB   THR 119           HB       THR 119   8.490  -2.272 -14.173
  891    HG1  THR 119           1HG      THR 119   6.891  -2.224 -15.880
  892   HG21  THR 119          3HG2      THR 119   8.625  -4.711 -14.179
  893   HG22  THR 119          1HG2      THR 119   6.940  -4.839 -14.715
  894   HG23  THR 119          2HG2      THR 119   8.168  -4.118 -15.785
  895    H    TRP 120           H        TRP 120   9.230  -1.648 -12.019
  896    HA   TRP 120           HA       TRP 120   7.769   0.745 -11.268
  897    HD1  TRP 120           HD1      TRP 120   9.391  -2.790  -9.348
  898    HE1  TRP 120           HE1      TRP 120  11.559  -3.364  -8.144
  899    HE3  TRP 120           HE3      TRP 120  10.973   1.968  -8.246
  900    HZ2  TRP 120           HZ2      TRP 120  13.671  -1.947  -6.748
  901    HZ3  TRP 120           HZ3      TRP 120  13.036   2.307  -6.927
  902    HH2  TRP 120           HH2      TRP 120  14.395   0.369  -6.176
  903    HB2  TRP 120           2HB      TRP 120   8.795   1.015  -9.095
  904    HB3  TRP 120           3HB      TRP 120   7.836  -0.447  -9.116
  905    H    ALA 121           H        ALA 121   9.217   2.579 -10.887
  906    HA   ALA 121           HA       ALA 121  12.018   2.318 -11.672
  907    HB1  ALA 121           3HB      ALA 121  10.884   2.654 -13.871
  908    HB2  ALA 121           1HB      ALA 121  10.075   4.102 -13.232
  909    HB3  ALA 121           2HB      ALA 121  11.843   4.076 -13.413
  910    H    ASN 122           H        ASN 122  13.147   3.714 -10.383
  911    HA   ASN 122           HA       ASN 122  11.695   5.403  -8.512
  912    HB2  ASN 122           2HB      ASN 122  13.926   3.996  -8.236
  913    HB3  ASN 122           3HB      ASN 122  14.699   5.464  -8.828
  914   HD21  ASN 122          2HD2      ASN 122  13.402   7.545  -7.548
  915   HD22  ASN 122          1HD2      ASN 122  13.516   7.343  -5.808
  916    H    ASP 123           H        ASP 123  12.759   5.851 -11.702
  917    HA   ASP 123           HA       ASP 123  13.846   8.452 -11.758
  918    HB2  ASP 123           2HB      ASP 123  13.934   6.829 -13.613
  919    HB3  ASP 123           3HB      ASP 123  12.178   6.938 -13.797
  920    H    GLY 124           H        GLY 124  10.505   7.391 -11.503
  921    HA2  GLY 124           2HA      GLY 124   9.138   9.681 -12.443
  922    HA3  GLY 124           1HA      GLY 124   8.510   8.525 -11.266
  923    H    TYR 125           H        TYR 125   7.914  11.271 -11.208
  924    HA   TYR 125           HA       TYR 125   8.952  12.097  -8.576
  925    HD1  TYR 125           HD1      TYR 125  10.261  12.600 -12.556
  926    HD2  TYR 125           HD2      TYR 125   7.782  15.615 -10.706
  927    HE1  TYR 125           HE1      TYR 125   9.591  13.413 -14.793
  928    HE2  TYR 125           HE2      TYR 125   7.105  16.433 -12.940
  929    HH   TYR 125           HH       TYR 125   8.313  14.955 -15.989
  930    HB2  TYR 125           2HB      TYR 125   9.447  14.352  -9.394
  931    HB3  TYR 125           3HB      TYR 125  10.490  13.162 -10.146
  Start of MODEL   21
    1    HA   MET   1           HA       MET   1 -14.953 -10.643  21.827
    2    H1   MET   1           H1       MET   1 -15.832 -13.253  21.365
    3    H2   MET   1           H2       MET   1 -16.710 -11.927  21.759
    4    H3   MET   1           H3       MET   1 -16.075 -12.879  22.939
    5    HB2  MET   1           2HB      MET   1 -13.687 -12.816  23.560
    6    HB3  MET   1           3HB      MET   1 -12.897 -11.294  23.142
    7    HG2  MET   1           2HG      MET   1 -14.736 -10.021  24.197
    8    HG3  MET   1           3HG      MET   1 -15.512 -11.535  24.676
    9    HE1  MET   1           3HE      MET   1 -14.889  -9.156  26.682
   10    HE2  MET   1           1HE      MET   1 -15.665 -10.681  27.167
   11    HE3  MET   1           2HE      MET   1 -14.276 -10.058  28.085
   12    H    ALA   2           H        ALA   2 -13.172 -10.233  20.452
   13    HA   ALA   2           HA       ALA   2 -11.717 -12.410  19.185
   14    HB1  ALA   2           3HB      ALA   2 -13.720 -12.270  17.716
   15    HB2  ALA   2           1HB      ALA   2 -13.472 -10.517  17.538
   16    HB3  ALA   2           2HB      ALA   2 -12.282 -11.660  16.882
   17    H    VAL   3           H        VAL   3  -9.940 -11.452  17.834
   18    HA   VAL   3           HA       VAL   3  -9.310  -8.632  18.229
   19    HB   VAL   3           HB       VAL   3  -8.520  -9.596  20.309
   20   HG11  VAL   3          1HG1      VAL   3  -6.871 -11.583  18.695
   21   HG12  VAL   3          2HG1      VAL   3  -6.783 -11.331  20.449
   22   HG13  VAL   3          3HG1      VAL   3  -8.264 -11.968  19.730
   23   HG21  VAL   3          3HG2      VAL   3  -6.084  -9.172  18.560
   24   HG22  VAL   3          1HG2      VAL   3  -7.099  -7.861  19.199
   25   HG23  VAL   3          2HG2      VAL   3  -6.216  -8.918  20.307
   26    H    ALA   4           H        ALA   4  -7.691  -7.960  16.667
   27    HA   ALA   4           HA       ALA   4  -7.758  -9.545  14.236
   28    HB1  ALA   4           3HB      ALA   4  -7.907  -7.073  14.218
   29    HB2  ALA   4           1HB      ALA   4  -6.260  -6.964  14.877
   30    HB3  ALA   4           2HB      ALA   4  -6.532  -7.652  13.269
   31    H    ASP   5           H        ASP   5  -5.556  -9.663  12.988
   32    HA   ASP   5           HA       ASP   5  -3.140 -10.058  14.521
   33    HB2  ASP   5           2HB      ASP   5  -4.141 -12.325  14.738
   34    HB3  ASP   5           3HB      ASP   5  -4.390 -12.392  12.992
   35    H    LEU   6           H        LEU   6  -1.313  -9.989  12.958
   36    HA   LEU   6           HA       LEU   6  -1.728  -8.258  10.805
   37    HG   LEU   6           HG       LEU   6   0.481  -8.477  13.055
   38    HB2  LEU   6           2HB      LEU   6   0.523 -10.240  11.330
   39    HB3  LEU   6           3HB      LEU   6   0.553  -9.025  10.068
   40   HD11  LEU   6          1HD1      LEU   6   2.631  -8.031  10.933
   41   HD12  LEU   6          2HD1      LEU   6   2.744  -7.581  12.649
   42   HD13  LEU   6          3HD1      LEU   6   2.645  -9.282  12.194
   43   HD21  LEU   6          3HD2      LEU   6   0.462  -6.534  10.706
   44   HD22  LEU   6          1HD2      LEU   6  -0.729  -6.669  12.024
   45   HD23  LEU   6          2HD2      LEU   6   0.889  -6.083  12.369
   46    H    ALA   7           H        ALA   7  -1.767 -11.853  10.796
   47    HA   ALA   7           HA       ALA   7  -1.589 -12.141   7.984
   48    HB1  ALA   7           3HB      ALA   7  -1.205 -13.977   9.594
   49    HB2  ALA   7           1HB      ALA   7  -2.932 -13.954  10.033
   50    HB3  ALA   7           2HB      ALA   7  -2.434 -14.415   8.393
   51    H    LEU   8           H        LEU   8  -4.281 -11.129  10.010
   52    HA   LEU   8           HA       LEU   8  -6.339 -11.940   8.071
   53    HG   LEU   8           HG       LEU   8  -5.889 -12.629  11.144
   54    HB2  LEU   8           2HB      LEU   8  -6.531 -10.276  10.616
   55    HB3  LEU   8           3HB      LEU   8  -7.889 -10.863   9.668
   56   HD11  LEU   8          1HD1      LEU   8  -8.796 -11.960  11.769
   57   HD12  LEU   8          2HD1      LEU   8  -7.766 -13.101  12.664
   58   HD13  LEU   8          3HD1      LEU   8  -7.372 -11.378  12.657
   59   HD21  LEU   8          3HD2      LEU   8  -8.423 -13.373   9.616
   60   HD22  LEU   8          1HD2      LEU   8  -6.757 -13.827   9.190
   61   HD23  LEU   8          2HD2      LEU   8  -7.491 -14.470  10.658
   62    H    ILE   9           H        ILE   9  -4.313  -9.137   8.623
   63    HA   ILE   9           HA       ILE   9  -6.150  -7.158   7.696
   64    HB   ILE   9           HB       ILE   9  -3.124  -7.010   7.484
   65   HG12  ILE   9          2HG1      ILE   9  -4.859  -6.299   9.900
   66   HG13  ILE   9          3HG1      ILE   9  -3.746  -7.665   9.806
   67   HG21  ILE   9          1HG2      ILE   9  -5.266  -4.865   7.784
   68   HG22  ILE   9          2HG2      ILE   9  -3.518  -4.570   7.678
   69   HG23  ILE   9          3HG2      ILE   9  -4.357  -5.250   6.301
   70   HD11  ILE   9          3HD1      ILE   9  -1.832  -6.116   9.537
   71   HD12  ILE   9          1HD1      ILE   9  -2.936  -4.747   9.792
   72   HD13  ILE   9          2HD1      ILE   9  -2.710  -5.931  11.073
   73    HA   PRO  10           HA       PRO  10  -6.016  -8.228   3.251
   74    HB2  PRO  10           2HB      PRO  10  -6.694  -5.286   3.102
   75    HB3  PRO  10           3HB      PRO  10  -7.376  -6.645   2.156
   76    HG2  PRO  10           2HG      PRO  10  -8.750  -5.614   4.252
   77    HG3  PRO  10           3HG      PRO  10  -8.655  -7.393   4.037
   78    HD2  PRO  10           2HD      PRO  10  -7.060  -5.640   5.913
   79    HD3  PRO  10           3HD      PRO  10  -7.806  -7.236   6.210
   80    H    ASP  11           H        ASP  11  -4.042  -8.427   2.323
   81    HA   ASP  11           HA       ASP  11  -1.843  -6.810   3.156
   82    HB2  ASP  11           2HB      ASP  11  -1.820  -9.261   2.498
   83    HB3  ASP  11           3HB      ASP  11  -1.922  -8.746   0.809
   84    H    VAL  12           H        VAL  12  -3.859  -6.828   0.254
   85    HA   VAL  12           HA       VAL  12  -2.748  -4.238  -0.599
   86    HB   VAL  12           HB       VAL  12  -3.183  -6.607  -2.468
   87   HG11  VAL  12          1HG1      VAL  12  -2.057  -3.821  -3.047
   88   HG12  VAL  12          2HG1      VAL  12  -2.236  -5.146  -4.217
   89   HG13  VAL  12          3HG1      VAL  12  -3.669  -4.394  -3.514
   90   HG21  VAL  12          3HG2      VAL  12  -0.551  -5.379  -1.599
   91   HG22  VAL  12          1HG2      VAL  12  -1.118  -7.034  -1.292
   92   HG23  VAL  12          2HG2      VAL  12  -0.767  -6.527  -2.941
   93    H    ASP  13           H        ASP  13  -4.527  -2.926  -0.745
   94    HA   ASP  13           HA       ASP  13  -6.969  -3.980  -2.010
   95    HB2  ASP  13           2HB      ASP  13  -7.511  -4.288   0.349
   96    HB3  ASP  13           3HB      ASP  13  -7.021  -2.634   0.716
   97    H    ILE  14           H        ILE  14  -7.038  -2.652  -3.735
   98    HA   ILE  14           HA       ILE  14  -6.411   0.207  -3.385
   99    HB   ILE  14           HB       ILE  14  -4.947   0.170  -5.355
  100   HG12  ILE  14          2HG1      ILE  14  -5.035  -2.879  -5.193
  101   HG13  ILE  14          3HG1      ILE  14  -5.814  -1.904  -6.440
  102   HG21  ILE  14          1HG2      ILE  14  -3.882  -1.734  -3.226
  103   HG22  ILE  14          2HG2      ILE  14  -2.950  -0.627  -4.257
  104   HG23  ILE  14          3HG2      ILE  14  -4.032   0.020  -3.029
  105   HD11  ILE  14          3HD1      ILE  14  -3.581  -1.018  -7.125
  106   HD12  ILE  14          1HD1      ILE  14  -2.819  -2.140  -5.967
  107   HD13  ILE  14          2HD1      ILE  14  -3.758  -2.772  -7.324
  108    H    ASP  15           H        ASP  15  -7.129   1.521  -5.005
  109    HA   ASP  15           HA       ASP  15  -9.165   0.511  -6.954
  110    HB2  ASP  15           2HB      ASP  15 -10.435   1.533  -5.261
  111    HB3  ASP  15           3HB      ASP  15  -9.209   2.754  -4.957
  112    H    SER  16           H        SER  16  -6.271   2.336  -6.367
  113    HA   SER  16           HA       SER  16  -6.212   3.971  -8.672
  114    HG   SER  16           HG       SER  16  -4.219   4.855  -5.897
  115    HB2  SER  16           2HB      SER  16  -3.939   2.816  -7.012
  116    HB3  SER  16           3HB      SER  16  -3.864   4.227  -8.091
  117    H    ASP  17           H        ASP  17  -7.204   1.658  -9.737
  118    HA   ASP  17           HA       ASP  17  -5.189   0.087 -11.155
  119    HB2  ASP  17           2HB      ASP  17  -7.460  -0.769 -10.918
  120    HB3  ASP  17           3HB      ASP  17  -8.130   0.674 -11.684
  121    H    GLY  18           H        GLY  18  -6.958   3.122 -11.603
  122    HA2  GLY  18           2HA      GLY  18  -5.513   3.811 -14.109
  123    HA3  GLY  18           1HA      GLY  18  -6.827   4.730 -13.349
  124    H    VAL  19           H        VAL  19  -4.633   6.197 -13.963
  125    HA   VAL  19           HA       VAL  19  -2.496   6.023 -12.105
  126    HB   VAL  19           HB       VAL  19  -3.167   8.362 -13.913
  127   HG11  VAL  19          1HG1      VAL  19  -0.534   7.390 -12.692
  128   HG12  VAL  19          2HG1      VAL  19  -0.714   8.747 -13.827
  129   HG13  VAL  19          3HG1      VAL  19  -1.424   8.853 -12.214
  130   HG21  VAL  19          3HG2      VAL  19  -1.552   5.835 -14.474
  131   HG22  VAL  19          1HG2      VAL  19  -3.049   6.331 -15.292
  132   HG23  VAL  19          2HG2      VAL  19  -1.581   7.276 -15.515
  133    H    PHE  20           H        PHE  20  -3.209   6.064 -10.025
  134    HA   PHE  20           HA       PHE  20  -3.723   8.716  -8.872
  135    HD1  PHE  20           HD1      PHE  20  -6.236   9.903  -8.764
  136    HD2  PHE  20           HD2      PHE  20  -6.797   5.829 -10.066
  137    HE1  PHE  20           HE1      PHE  20  -8.014  10.643 -10.330
  138    HE2  PHE  20           HE2      PHE  20  -8.572   6.574 -11.633
  139    HZ   PHE  20           HZ       PHE  20  -9.184   8.983 -11.767
  140    HB2  PHE  20           2HB      PHE  20  -5.422   6.287  -8.183
  141    HB3  PHE  20           3HB      PHE  20  -5.479   7.853  -7.389
  142    H    LYS  21           H        LYS  21  -3.514   8.494  -6.405
  143    HA   LYS  21           HA       LYS  21  -0.850   7.498  -6.026
  144    HB2  LYS  21           2HB      LYS  21  -2.883   8.959  -4.273
  145    HB3  LYS  21           3HB      LYS  21  -1.304   8.493  -3.666
  146    HG2  LYS  21           2HG      LYS  21  -0.186   9.796  -5.443
  147    HG3  LYS  21           3HG      LYS  21  -1.759  10.302  -6.075
  148    HD2  LYS  21           2HD      LYS  21  -2.277  11.513  -4.038
  149    HD3  LYS  21           3HD      LYS  21  -0.829  10.891  -3.226
  150    HE2  LYS  21           2HE      LYS  21   0.628  12.047  -4.828
  151    HE3  LYS  21           3HE      LYS  21  -0.781  12.594  -5.750
  152    HZ1  LYS  21           3HZ      LYS  21  -1.455  13.855  -3.766
  153    HZ2  LYS  21           1HZ      LYS  21  -0.017  13.480  -2.999
  154    HZ3  LYS  21           2HZ      LYS  21  -0.021  14.347  -4.377
  155    H    TYR  22           H        TYR  22  -0.108   6.315  -4.160
  156    HA   TYR  22           HA       TYR  22  -1.940   4.715  -2.611
  157    HD1  TYR  22           HD2      TYR  22   1.399   4.171  -5.294
  158    HD2  TYR  22           HD1      TYR  22   0.163   1.500  -2.147
  159    HE1  TYR  22           HE2      TYR  22   3.774   3.681  -4.775
  160    HE2  TYR  22           HE1      TYR  22   2.520   1.001  -1.622
  161    HH   TYR  22           HH       TYR  22   4.715   1.545  -2.040
  162    HB2  TYR  22           2HB      TYR  22  -1.442   2.637  -3.410
  163    HB3  TYR  22           3HB      TYR  22  -1.073   3.472  -4.902
  164    H    VAL  23           H        VAL  23  -0.636   3.656  -0.779
  165    HA   VAL  23           HA       VAL  23   2.046   4.817  -0.358
  166    HB   VAL  23           HB       VAL  23   1.533   5.091   2.080
  167   HG11  VAL  23          1HG1      VAL  23   0.003   6.950   0.245
  168   HG12  VAL  23          2HG1      VAL  23   0.558   7.317   1.893
  169   HG13  VAL  23          3HG1      VAL  23   1.738   7.031   0.607
  170   HG21  VAL  23          3HG2      VAL  23  -1.371   4.904   1.188
  171   HG22  VAL  23          1HG2      VAL  23  -0.532   3.794   2.265
  172   HG23  VAL  23          2HG2      VAL  23  -0.812   5.475   2.770
  173    H    LEU  24           H        LEU  24   3.322   3.651   1.118
  174    HA   LEU  24           HA       LEU  24   2.684   0.736   1.231
  175    HG   LEU  24           HG       LEU  24   6.396   0.092   0.665
  176    HB2  LEU  24           2HB      LEU  24   4.696   1.711  -0.136
  177    HB3  LEU  24           3HB      LEU  24   5.408   2.110   1.399
  178   HD11  LEU  24          1HD1      LEU  24   4.313  -0.945   2.619
  179   HD12  LEU  24          2HD1      LEU  24   5.981  -1.497   2.370
  180   HD13  LEU  24          3HD1      LEU  24   5.680   0.085   3.103
  181   HD21  LEU  24          3HD2      LEU  24   3.607  -1.034   0.228
  182   HD22  LEU  24          1HD2      LEU  24   4.753  -0.522  -1.029
  183   HD23  LEU  24          2HD2      LEU  24   5.132  -1.908  -0.012
  184    H    ILE  25           H        ILE  25   2.143   0.173   3.370
  185    HA   ILE  25           HA       ILE  25   3.126   1.984   5.542
  186    HB   ILE  25           HB       ILE  25   0.375   0.791   5.122
  187   HG12  ILE  25          2HG1      ILE  25   1.386   3.655   5.487
  188   HG13  ILE  25          3HG1      ILE  25   0.893   2.934   3.957
  189   HG21  ILE  25          1HG2      ILE  25   1.475   2.191   7.601
  190   HG22  ILE  25          2HG2      ILE  25  -0.223   1.721   7.352
  191   HG23  ILE  25          3HG2      ILE  25   0.995   0.481   7.501
  192   HD11  ILE  25          3HD1      ILE  25  -1.417   2.633   4.867
  193   HD12  ILE  25          1HD1      ILE  25  -0.918   3.533   6.329
  194   HD13  ILE  25          2HD1      ILE  25  -0.897   4.324   4.759
  195    H    ARG  26           H        ARG  26   4.453   1.046   6.815
  196    HA   ARG  26           HA       ARG  26   4.695  -1.866   7.138
  197    HE   ARG  26           HE       ARG  26   8.429   0.988   9.528
  198    HB2  ARG  26           2HB      ARG  26   6.606  -0.096   7.286
  199    HB3  ARG  26           3HB      ARG  26   5.861   0.411   8.802
  200    HG2  ARG  26           2HG      ARG  26   6.091  -2.222   9.356
  201    HG3  ARG  26           3HG      ARG  26   7.343  -2.126   8.117
  202    HD2  ARG  26           2HD      ARG  26   7.142  -0.514  10.691
  203    HD3  ARG  26           3HD      ARG  26   8.282  -1.820  10.376
  204   HH11  ARG  26          1HH2      ARG  26   9.814  -2.245   8.913
  205   HH12  ARG  26          2HH2      ARG  26  11.324  -1.606   8.378
  206   HH21  ARG  26          1HH1      ARG  26  10.265   1.778   8.877
  207   HH22  ARG  26          2HH1      ARG  26  11.619   0.800   8.329
  208    H    VAL  27           H        VAL  27   3.791  -2.937   8.968
  209    HA   VAL  27           HA       VAL  27   2.317  -1.359  10.959
  210    HB   VAL  27           HB       VAL  27   0.672  -1.772   9.270
  211   HG11  VAL  27          1HG1      VAL  27   1.382  -4.717   9.385
  212   HG12  VAL  27          2HG1      VAL  27  -0.029  -4.041   8.549
  213   HG13  VAL  27          3HG1      VAL  27   1.595  -3.628   7.997
  214   HG21  VAL  27          3HG2      VAL  27   0.200  -3.787  11.499
  215   HG22  VAL  27          1HG2      VAL  27  -0.009  -2.028  11.637
  216   HG23  VAL  27          2HG2      VAL  27  -1.019  -2.954  10.515
  217    H    HIS  28           H        HIS  28   2.150  -2.459  12.959
  218    HA   HIS  28           HA       HIS  28   3.993  -4.804  13.277
  219    HD1  HIS  28           HD1      HIS  28   6.698  -3.840  13.574
  220    HD2  HIS  28           HD2      HIS  28   4.415  -0.341  14.122
  221    HE1  HIS  28           HE1      HIS  28   8.160  -1.897  12.812
  222    HB2  HIS  28           2HB      HIS  28   3.411  -2.501  15.183
  223    HB3  HIS  28           3HB      HIS  28   4.539  -3.825  15.456
  224    H    SER  29           H        SER  29   3.384  -6.373  14.841
  225    HA   SER  29           HA       SER  29   0.650  -6.822  15.398
  226    HG   SER  29           HG       SER  29   2.308  -9.744  15.315
  227    HB2  SER  29           2HB      SER  29   3.145  -7.904  16.748
  228    HB3  SER  29           3HB      SER  29   1.499  -8.544  16.938
  229    H    ALA  30           H        ALA  30  -0.249  -4.966  16.290
  230    HA   ALA  30           HA       ALA  30   0.005  -4.912  19.225
  231    HB1  ALA  30           3HB      ALA  30   1.294  -2.976  18.368
  232    HB2  ALA  30           1HB      ALA  30  -0.152  -2.391  17.517
  233    HB3  ALA  30           2HB      ALA  30  -0.129  -2.465  19.287
  234    HA   PRO  31           HA       PRO  31  -4.555  -4.729  17.383
  235    HB2  PRO  31           2HB      PRO  31  -4.395  -7.628  18.232
  236    HB3  PRO  31           3HB      PRO  31  -5.528  -6.866  17.078
  237    HG2  PRO  31           2HG      PRO  31  -3.322  -8.221  16.215
  238    HG3  PRO  31           3HG      PRO  31  -3.828  -6.699  15.421
  239    HD2  PRO  31           2HD      PRO  31  -1.590  -7.176  17.360
  240    HD3  PRO  31           3HD      PRO  31  -1.716  -6.044  15.981
  241    H    ARG  32           H        ARG  32  -6.085  -4.237  18.892
  242    HA   ARG  32           HA       ARG  32  -6.730  -3.316  20.843
  243    HE   ARG  32           HE       ARG  32 -10.385  -7.835  20.458
  244    HB2  ARG  32           2HB      ARG  32  -6.402  -6.217  21.699
  245    HB3  ARG  32           3HB      ARG  32  -7.257  -4.996  22.646
  246    HG2  ARG  32           2HG      ARG  32  -8.807  -4.587  20.743
  247    HG3  ARG  32           3HG      ARG  32  -8.040  -5.911  19.855
  248    HD2  ARG  32           2HD      ARG  32  -8.576  -7.450  21.773
  249    HD3  ARG  32           3HD      ARG  32  -9.430  -6.130  22.574
  250   HH11  ARG  32          1HH2      ARG  32 -10.835  -4.563  21.796
  251   HH12  ARG  32          2HH2      ARG  32 -12.414  -4.383  21.128
  252   HH21  ARG  32          1HH1      ARG  32 -12.377  -7.602  19.597
  253   HH22  ARG  32          2HH1      ARG  32 -13.336  -6.166  19.822
  254    H    SER  33           H        SER  33  -3.721  -3.228  20.472
  255    HA   SER  33           HA       SER  33  -1.833  -2.812  21.543
  256    HG   SER  33           HG       SER  33  -3.397   0.284  22.459
  257    HB2  SER  33           2HB      SER  33  -3.572  -1.617  23.730
  258    HB3  SER  33           3HB      SER  33  -1.892  -1.208  23.347
  259    H    GLY  34           H        GLY  34  -3.021  -5.483  22.022
  260    HA2  GLY  34           2HA      GLY  34  -1.552  -6.219  24.496
  261    HA3  GLY  34           1HA      GLY  34  -3.300  -6.478  24.438
  262    H    ALA  35           H        ALA  35  -2.216  -7.024  21.279
  263    HA   ALA  35           HA       ALA  35  -2.435  -9.827  21.350
  264    HB1  ALA  35           3HB      ALA  35  -2.599  -8.503  19.289
  265    HB2  ALA  35           1HB      ALA  35  -0.874  -8.067  19.410
  266    HB3  ALA  35           2HB      ALA  35  -1.354  -9.753  19.120
  267    HA   PRO  36           HA       PRO  36   1.522 -10.847  23.167
  268    HB2  PRO  36           2HB      PRO  36   1.689 -13.535  22.692
  269    HB3  PRO  36           3HB      PRO  36   0.495 -12.821  23.817
  270    HG2  PRO  36           2HG      PRO  36   0.073 -13.625  20.920
  271    HG3  PRO  36           3HG      PRO  36  -0.947 -14.023  22.339
  272    HD2  PRO  36           2HD      PRO  36  -1.524 -11.934  20.671
  273    HD3  PRO  36           3HD      PRO  36  -1.839 -11.847  22.430
  274    H    ALA  37           H        ALA  37   0.935 -11.409  19.750
  275    HA   ALA  37           HA       ALA  37   3.588 -12.214  18.983
  276    HB1  ALA  37           3HB      ALA  37   1.602 -12.613  17.572
  277    HB2  ALA  37           1HB      ALA  37   1.364 -10.862  17.384
  278    HB3  ALA  37           2HB      ALA  37   2.807 -11.649  16.703
  279    H    ALA  38           H        ALA  38   5.146 -10.916  17.808
  280    HA   ALA  38           HA       ALA  38   4.987  -7.977  18.048
  281    HB1  ALA  38           3HB      ALA  38   6.141  -8.792  20.106
  282    HB2  ALA  38           1HB      ALA  38   7.332  -9.636  19.085
  283    HB3  ALA  38           2HB      ALA  38   7.222  -7.861  19.057
  284    H    GLU  39           H        GLU  39   4.677  -9.822  15.854
  285    HA   GLU  39           HA       GLU  39   7.089  -9.572  14.206
  286    HB2  GLU  39           2HB      GLU  39   4.287 -10.638  13.620
  287    HB3  GLU  39           3HB      GLU  39   5.622 -10.624  12.461
  288    HG2  GLU  39           2HG      GLU  39   6.976 -12.029  14.026
  289    HG3  GLU  39           3HG      GLU  39   5.585 -12.138  15.105
  290    H    SER  40           H        SER  40   6.426  -8.728  11.840
  291    HA   SER  40           HA       SER  40   4.758  -6.321  11.916
  292    HG   SER  40           HG       SER  40   8.233  -5.375  12.749
  293    HB2  SER  40           2HB      SER  40   7.622  -6.244  10.923
  294    HB3  SER  40           3HB      SER  40   6.485  -4.895  10.991
  295    H    LYS  41           H        LYS  41   4.418  -5.510   9.701
  296    HA   LYS  41           HA       LYS  41   4.730  -7.400   7.459
  297    HB2  LYS  41           2HB      LYS  41   2.780  -8.304   8.467
  298    HB3  LYS  41           3HB      LYS  41   2.160  -6.730   8.938
  299    HG2  LYS  41           2HG      LYS  41   1.525  -6.205   6.649
  300    HG3  LYS  41           3HG      LYS  41   2.259  -7.728   6.070
  301    HD2  LYS  41           2HD      LYS  41   0.655  -8.967   7.525
  302    HD3  LYS  41           3HD      LYS  41  -0.084  -7.400   7.975
  303    HE2  LYS  41           2HE      LYS  41  -0.977  -7.036   5.878
  304    HE3  LYS  41           3HE      LYS  41   0.164  -8.110   5.058
  305    HZ1  LYS  41           3HZ      LYS  41  -1.027  -9.976   5.749
  306    HZ2  LYS  41           1HZ      LYS  41  -1.835  -9.186   6.936
  307    HZ3  LYS  41           2HZ      LYS  41  -2.238  -8.922   5.380
  308    H    GLU  42           H        GLU  42   3.819  -6.261   5.439
  309    HA   GLU  42           HA       GLU  42   3.636  -3.318   5.742
  310    HB2  GLU  42           2HB      GLU  42   5.105  -4.799   3.515
  311    HB3  GLU  42           3HB      GLU  42   4.692  -3.098   3.529
  312    HG2  GLU  42           2HG      GLU  42   6.947  -3.138   4.124
  313    HG3  GLU  42           3HG      GLU  42   6.098  -2.838   5.631
  314    H    ILE  43           H        ILE  43   1.741  -2.633   4.901
  315    HA   ILE  43           HA       ILE  43   0.287  -4.352   2.958
  316    HB   ILE  43           HB       ILE  43  -1.776  -3.303   3.740
  317   HG12  ILE  43          2HG1      ILE  43  -0.123  -2.006   5.955
  318   HG13  ILE  43          3HG1      ILE  43  -0.858  -1.156   4.594
  319   HG21  ILE  43          1HG2      ILE  43  -0.239  -4.551   6.050
  320   HG22  ILE  43          2HG2      ILE  43  -1.987  -4.633   5.730
  321   HG23  ILE  43          3HG2      ILE  43  -0.856  -5.440   4.640
  322   HD11  ILE  43          3HD1      ILE  43  -3.121  -1.858   5.391
  323   HD12  ILE  43          1HD1      ILE  43  -2.364  -2.611   6.812
  324   HD13  ILE  43          2HD1      ILE  43  -2.240  -0.870   6.567
  325    H    VAL  44           H        VAL  44  -0.987  -3.256   1.356
  326    HA   VAL  44           HA       VAL  44   0.259  -0.720   0.370
  327    HB   VAL  44           HB       VAL  44  -0.751  -3.118  -1.223
  328   HG11  VAL  44          1HG1      VAL  44   1.014  -0.811  -2.105
  329   HG12  VAL  44          2HG1      VAL  44   0.421  -2.138  -3.117
  330   HG13  VAL  44          3HG1      VAL  44  -0.723  -0.961  -2.466
  331   HG21  VAL  44          3HG2      VAL  44   2.134  -2.484  -0.522
  332   HG22  VAL  44          1HG2      VAL  44   1.204  -3.905  -0.008
  333   HG23  VAL  44          2HG2      VAL  44   1.605  -3.688  -1.712
  334    H    ARG  45           H        ARG  45  -1.288   0.905   0.152
  335    HA   ARG  45           HA       ARG  45  -4.075   0.148  -0.552
  336    HE   ARG  45           HE       ARG  45  -4.423  -2.851   2.538
  337    HB2  ARG  45           2HB      ARG  45  -3.326   2.036   1.723
  338    HB3  ARG  45           3HB      ARG  45  -4.959   1.771   1.132
  339    HG2  ARG  45           2HG      ARG  45  -3.197  -0.257   2.571
  340    HG3  ARG  45           3HG      ARG  45  -4.582   0.610   3.235
  341    HD2  ARG  45           2HD      ARG  45  -6.141  -0.585   1.843
  342    HD3  ARG  45           3HD      ARG  45  -4.857  -1.311   0.907
  343   HH11  ARG  45          1HH2      ARG  45  -6.791  -0.518   3.793
  344   HH12  ARG  45          2HH2      ARG  45  -7.156  -1.431   5.206
  345   HH21  ARG  45          1HH1      ARG  45  -4.933  -4.090   4.367
  346   HH22  ARG  45          2HH1      ARG  45  -6.039  -3.484   5.567
  347    H    GLY  46           H        GLY  46  -5.138   1.801  -1.790
  348    HA2  GLY  46           2HA      GLY  46  -4.160   4.443  -2.113
  349    HA3  GLY  46           1HA      GLY  46  -3.496   3.417  -3.402
  350    H    TYR  47           H        TYR  47  -5.661   5.625  -3.289
  351    HA   TYR  47           HA       TYR  47  -7.649   4.267  -4.950
  352    HD1  TYR  47           HD1      TYR  47  -6.973   4.856  -0.904
  353    HD2  TYR  47           HD2      TYR  47  -9.876   2.384  -2.904
  354    HE1  TYR  47           HE1      TYR  47  -6.740   3.161   0.877
  355    HE2  TYR  47           HE2      TYR  47  -9.623   0.658  -1.154
  356    HH   TYR  47           HH       TYR  47  -7.554   1.184   1.738
  357    HB2  TYR  47           2HB      TYR  47  -8.625   5.778  -2.513
  358    HB3  TYR  47           3HB      TYR  47  -9.548   4.731  -3.565
  359    H    LYS  48           H        LYS  48  -9.024   5.826  -6.055
  360    HA   LYS  48           HA       LYS  48  -7.662   8.174  -6.782
  361    HB2  LYS  48           2HB      LYS  48  -9.553   8.715  -8.129
  362    HB3  LYS  48           3HB      LYS  48  -9.310   6.971  -8.163
  363    HG2  LYS  48           2HG      LYS  48 -11.178   6.802  -6.395
  364    HG3  LYS  48           3HG      LYS  48 -11.435   8.532  -6.620
  365    HD2  LYS  48           2HD      LYS  48 -13.053   7.359  -7.935
  366    HD3  LYS  48           3HD      LYS  48 -11.907   8.132  -9.043
  367    HE2  LYS  48           2HE      LYS  48 -10.728   5.973  -9.346
  368    HE3  LYS  48           3HE      LYS  48 -11.787   5.210  -8.158
  369    HZ1  LYS  48           3HZ      LYS  48 -13.652   5.610  -9.660
  370    HZ2  LYS  48           1HZ      LYS  48 -12.673   6.318 -10.763
  371    HZ3  LYS  48           2HZ      LYS  48 -12.502   4.735 -10.408
  372    H    TRP  49           H        TRP  49 -10.004   7.785  -4.132
  373    HA   TRP  49           HA       TRP  49 -10.542  10.590  -3.903
  374    HD1  TRP  49           HD1      TRP  49 -12.667   6.834  -2.968
  375    HE1  TRP  49           HE1      TRP  49 -12.069   4.811  -1.542
  376    HE3  TRP  49           HE3      TRP  49  -8.994   8.937  -0.074
  377    HZ2  TRP  49           HZ2      TRP  49 -10.205   4.161   0.589
  378    HZ3  TRP  49           HZ3      TRP  49  -7.747   7.568   1.538
  379    HH2  TRP  49           HH2      TRP  49  -8.309   5.153   1.866
  380    HB2  TRP  49           2HB      TRP  49 -11.344   9.944  -1.580
  381    HB3  TRP  49           3HB      TRP  49 -12.167   9.292  -2.973
  382    H    ALA  50           H        ALA  50  -7.748   8.696  -2.875
  383    HA   ALA  50           HA       ALA  50  -6.920  10.732  -0.945
  384    HB1  ALA  50           3HB      ALA  50  -6.387   8.448  -0.461
  385    HB2  ALA  50           1HB      ALA  50  -5.470   8.282  -1.987
  386    HB3  ALA  50           2HB      ALA  50  -4.917   9.398  -0.708
  387    H    GLU  51           H        GLU  51  -7.134  12.481  -2.492
  388    HA   GLU  51           HA       GLU  51  -5.371  12.859  -4.689
  389    HB2  GLU  51           2HB      GLU  51  -7.457  14.162  -4.070
  390    HB3  GLU  51           3HB      GLU  51  -6.556  14.907  -2.759
  391    HG2  GLU  51           2HG      GLU  51  -6.668  16.448  -4.584
  392    HG3  GLU  51           3HG      GLU  51  -5.001  15.926  -4.451
  393    H    TYR  52           H        TYR  52  -4.703  12.739  -1.280
  394    HA   TYR  52           HA       TYR  52  -1.945  13.756  -1.685
  395    HD1  TYR  52           HD2      TYR  52  -3.687  16.446  -1.741
  396    HD2  TYR  52           HD1      TYR  52  -4.990  14.435   1.846
  397    HE1  TYR  52           HE2      TYR  52  -5.822  17.706  -1.811
  398    HE2  TYR  52           HE1      TYR  52  -7.140  15.623   1.753
  399    HH   TYR  52           HH       TYR  52  -8.431  17.213   0.619
  400    HB2  TYR  52           2HB      TYR  52  -2.819  14.062   1.053
  401    HB3  TYR  52           3HB      TYR  52  -2.079  15.226  -0.019
  402    H    HIS  53           H        HIS  53  -0.363  12.515  -0.455
  403    HA   HIS  53           HA       HIS  53  -1.152   9.700  -0.142
  404    HD2  HIS  53           HD2      HIS  53   0.236   8.066  -1.604
  405    HE1  HIS  53           HE1      HIS  53   2.680  10.345  -4.234
  406    HE2  HIS  53           HE2      HIS  53   1.334   8.198  -3.964
  407    HB2  HIS  53           2HB      HIS  53   1.432  11.230   0.379
  408    HB3  HIS  53           3HB      HIS  53   1.232   9.521   0.711
  409    H    ALA  54           H        ALA  54  -0.582  12.563   1.872
  410    HA   ALA  54           HA       ALA  54  -0.757  11.381   4.421
  411    HB1  ALA  54           3HB      ALA  54  -0.282  13.782   4.034
  412    HB2  ALA  54           1HB      ALA  54  -1.965  14.029   3.506
  413    HB3  ALA  54           2HB      ALA  54  -1.617  13.562   5.182
  414    H    ASP  55           H        ASP  55  -3.393  11.712   2.023
  415    HA   ASP  55           HA       ASP  55  -5.510  11.649   3.978
  416    HB2  ASP  55           2HB      ASP  55  -5.684  12.387   1.486
  417    HB3  ASP  55           3HB      ASP  55  -5.752  10.686   1.109
  418    H    ILE  56           H        ILE  56  -4.032   9.151   1.856
  419    HA   ILE  56           HA       ILE  56  -5.546   6.997   3.023
  420    HB   ILE  56           HB       ILE  56  -3.391   5.695   2.028
  421   HG12  ILE  56          2HG1      ILE  56  -3.370   8.295   0.487
  422   HG13  ILE  56          3HG1      ILE  56  -2.053   7.351   1.164
  423   HG21  ILE  56          1HG2      ILE  56  -5.783   6.543   0.413
  424   HG22  ILE  56          2HG2      ILE  56  -4.784   5.085   0.196
  425   HG23  ILE  56          3HG2      ILE  56  -5.743   5.272   1.654
  426   HD11  ILE  56          3HD1      ILE  56  -2.509   5.613  -0.613
  427   HD12  ILE  56          1HD1      ILE  56  -3.750   6.680  -1.300
  428   HD13  ILE  56          2HD1      ILE  56  -2.060   7.202  -1.268
  429    H    TYR  57           H        TYR  57  -2.317   8.455   3.765
  430    HA   TYR  57           HA       TYR  57  -1.641   6.380   5.580
  431    HD1  TYR  57           HD2      TYR  57   0.265   5.783   6.513
  432    HD2  TYR  57           HD1      TYR  57   0.407   9.962   7.578
  433    HE1  TYR  57           HE2      TYR  57   1.643   5.224   8.474
  434    HE2  TYR  57           HE1      TYR  57   1.819   9.418   9.531
  435    HH   TYR  57           HH       TYR  57   2.903   7.726  10.729
  436    HB2  TYR  57           2HB      TYR  57  -0.011   8.048   4.786
  437    HB3  TYR  57           3HB      TYR  57  -0.851   9.311   5.685
  438    H    ASP  58           H        ASP  58  -3.398   9.496   6.180
  439    HA   ASP  58           HA       ASP  58  -3.793   9.058   8.946
  440    HB2  ASP  58           2HB      ASP  58  -4.149  11.233   7.908
  441    HB3  ASP  58           3HB      ASP  58  -5.479  10.593   6.935
  442    H    LYS  59           H        LYS  59  -5.908   8.212   6.145
  443    HA   LYS  59           HA       LYS  59  -8.033   7.110   7.695
  444    HB2  LYS  59           2HB      LYS  59  -8.340   7.789   5.429
  445    HB3  LYS  59           3HB      LYS  59  -7.113   6.675   4.825
  446    HG2  LYS  59           2HG      LYS  59  -8.481   4.843   4.891
  447    HG3  LYS  59           3HG      LYS  59  -9.385   5.405   6.316
  448    HD2  LYS  59           2HD      LYS  59 -10.633   7.004   5.032
  449    HD3  LYS  59           3HD      LYS  59  -9.656   6.706   3.586
  450    HE2  LYS  59           2HE      LYS  59 -10.466   4.334   3.557
  451    HE3  LYS  59           3HE      LYS  59 -11.486   4.683   4.959
  452    HZ1  LYS  59           3HZ      LYS  59 -12.675   6.308   3.602
  453    HZ2  LYS  59           1HZ      LYS  59 -11.723   5.987   2.307
  454    HZ3  LYS  59           2HZ      LYS  59 -12.728   4.842   2.896
  455    H    VAL  60           H        VAL  60  -5.291   5.403   6.037
  456    HA   VAL  60           HA       VAL  60  -6.297   2.865   6.922
  457    HB   VAL  60           HB       VAL  60  -3.617   3.648   5.713
  458   HG11  VAL  60          1HG1      VAL  60  -4.888   0.890   6.087
  459   HG12  VAL  60          2HG1      VAL  60  -3.395   1.229   5.173
  460   HG13  VAL  60          3HG1      VAL  60  -3.445   1.482   6.919
  461   HG21  VAL  60          3HG2      VAL  60  -6.063   2.364   4.410
  462   HG22  VAL  60          1HG2      VAL  60  -5.655   4.079   4.266
  463   HG23  VAL  60          2HG2      VAL  60  -4.550   2.883   3.619
  464    H    SER  61           H        SER  61  -3.431   4.892   8.063
  465    HA   SER  61           HA       SER  61  -2.816   2.999  10.100
  466    HG   SER  61           HG       SER  61  -0.460   5.312   8.853
  467    HB2  SER  61           2HB      SER  61  -2.193   5.965   9.960
  468    HB3  SER  61           3HB      SER  61  -1.439   4.789  11.052
  469    H    GLY  62           H        GLY  62  -5.206   5.654   9.954
  470    HA2  GLY  62           2HA      GLY  62  -5.919   5.702  12.711
  471    HA3  GLY  62           1HA      GLY  62  -6.957   6.103  11.327
  472    H    ASP  63           H        ASP  63  -7.223   3.724   9.928
  473    HA   ASP  63           HA       ASP  63  -9.010   2.215  11.538
  474    HB2  ASP  63           2HB      ASP  63  -9.153   2.309   9.077
  475    HB3  ASP  63           3HB      ASP  63  -7.672   1.349   8.955
  476    H    MET  64           H        MET  64  -5.627   1.506  10.520
  477    HA   MET  64           HA       MET  64  -5.361  -0.968  11.845
  478    HB2  MET  64           2HB      MET  64  -3.287   1.230  11.423
  479    HB3  MET  64           3HB      MET  64  -2.914  -0.387  11.966
  480    HG2  MET  64           2HG      MET  64  -4.204   0.255   9.289
  481    HG3  MET  64           3HG      MET  64  -2.524  -0.137   9.543
  482    HE1  MET  64           3HE      MET  64  -6.191  -1.426   9.773
  483    HE2  MET  64           1HE      MET  64  -5.521  -1.376   8.110
  484    HE3  MET  64           2HE      MET  64  -5.952  -2.931   8.858
  485    H    GLN  65           H        GLN  65  -4.730   2.346  13.199
  486    HA   GLN  65           HA       GLN  65  -4.133   1.354  15.787
  487    HB2  GLN  65           2HB      GLN  65  -4.952   4.032  14.618
  488    HB3  GLN  65           3HB      GLN  65  -4.754   3.865  16.360
  489    HG2  GLN  65           2HG      GLN  65  -2.516   3.031  14.467
  490    HG3  GLN  65           3HG      GLN  65  -2.749   4.710  14.929
  491   HE21  GLN  65          2HE2      GLN  65  -1.940   1.474  16.194
  492   HE22  GLN  65          1HE2      GLN  65  -1.327   2.034  17.739
  493    H    LYS  66           H        LYS  66  -7.293   2.116  14.283
  494    HA   LYS  66           HA       LYS  66  -8.749   1.869  16.775
  495    HB2  LYS  66           2HB      LYS  66  -9.576   1.652  13.859
  496    HB3  LYS  66           3HB      LYS  66 -10.700   1.346  15.188
  497    HG2  LYS  66           2HG      LYS  66 -10.281   3.565  16.138
  498    HG3  LYS  66           3HG      LYS  66  -9.126   3.944  14.867
  499    HD2  LYS  66           2HD      LYS  66 -12.085   3.360  14.419
  500    HD3  LYS  66           3HD      LYS  66 -11.374   4.973  14.564
  501    HE2  LYS  66           2HE      LYS  66  -9.928   4.508  12.574
  502    HE3  LYS  66           3HE      LYS  66 -10.715   2.930  12.400
  503    HZ1  LYS  66           3HZ      LYS  66 -12.818   4.090  12.049
  504    HZ2  LYS  66           1HZ      LYS  66 -12.094   5.546  12.209
  505    HZ3  LYS  66           2HZ      LYS  66 -11.719   4.581  10.952
  506    H    GLN  67           H        GLN  67  -7.663  -0.559  14.297
  507    HA   GLN  67           HA       GLN  67  -8.793  -2.773  15.804
  508    HB2  GLN  67           2HB      GLN  67  -6.476  -2.726  13.814
  509    HB3  GLN  67           3HB      GLN  67  -7.255  -4.163  14.471
  510    HG2  GLN  67           2HG      GLN  67  -9.428  -3.424  13.457
  511    HG3  GLN  67           3HG      GLN  67  -8.609  -2.039  12.744
  512   HE21  GLN  67          2HE2      GLN  67  -8.413  -2.421  10.503
  513   HE22  GLN  67          1HE2      GLN  67  -7.921  -3.970   9.852
  514    H    GLY  68           H        GLY  68  -5.874  -0.850  16.044
  515    HA2  GLY  68           2HA      GLY  68  -5.009  -0.611  18.376
  516    HA3  GLY  68           1HA      GLY  68  -4.881  -2.374  18.407
  517    H    CYS  69           H        CYS  69  -4.186  -2.172  15.414
  518    HA   CYS  69           HA       CYS  69  -1.442  -2.781  15.639
  519    HG   CYS  69           HG       CYS  69  -3.350  -4.530  12.614
  520    HB2  CYS  69           2HB      CYS  69  -3.226  -2.025  13.294
  521    HB3  CYS  69           3HB      CYS  69  -1.585  -2.647  13.120
  522    H    ASP  70           H        ASP  70   0.412  -1.623  15.049
  523    HA   ASP  70           HA       ASP  70   0.134   1.356  15.107
  524    HB2  ASP  70           2HB      ASP  70   1.181   0.409  17.094
  525    HB3  ASP  70           3HB      ASP  70   2.313  -0.511  16.103
  526    H    CYS  71           H        CYS  71   1.344   2.544  13.540
  527    HA   CYS  71           HA       CYS  71   2.426   0.914  11.298
  528    HG   CYS  71           HG       CYS  71  -1.229   1.291   9.939
  529    HB2  CYS  71           2HB      CYS  71   0.238   3.041  11.251
  530    HB3  CYS  71           3HB      CYS  71   1.015   2.419   9.805
  531    H    GLU  72           H        GLU  72   3.455   2.111   9.590
  532    HA   GLU  72           HA       GLU  72   4.281   4.899   9.973
  533    HB2  GLU  72           2HB      GLU  72   6.043   3.723  11.178
  534    HB3  GLU  72           3HB      GLU  72   6.151   2.479   9.928
  535    HG2  GLU  72           2HG      GLU  72   7.006   4.138   8.319
  536    HG3  GLU  72           3HG      GLU  72   6.885   5.404   9.549
  537    H    CYS  73           H        CYS  73   4.037   5.793   7.848
  538    HA   CYS  73           HA       CYS  73   3.825   3.981   5.553
  539    HG   CYS  73           HG       CYS  73   3.084   8.421   5.358
  540    HB2  CYS  73           2HB      CYS  73   3.784   6.160   4.237
  541    HB3  CYS  73           3HB      CYS  73   2.430   5.886   5.317
  542    H    LEU  74           H        LEU  74   5.573   3.245   4.430
  543    HA   LEU  74           HA       LEU  74   8.272   4.166   5.096
  544    HG   LEU  74           HG       LEU  74   6.894   1.151   4.923
  545    HB2  LEU  74           2HB      LEU  74   7.286   2.344   2.856
  546    HB3  LEU  74           3HB      LEU  74   8.961   2.652   3.283
  547   HD11  LEU  74          1HD1      LEU  74   9.618   0.312   3.828
  548   HD12  LEU  74          2HD1      LEU  74   8.434  -0.724   4.657
  549   HD13  LEU  74          3HD1      LEU  74   8.066  -0.056   3.059
  550   HD21  LEU  74          3HD2      LEU  74   9.694   2.007   5.773
  551   HD22  LEU  74          1HD2      LEU  74   8.151   2.420   6.564
  552   HD23  LEU  74          2HD2      LEU  74   8.726   0.755   6.576
  553    H    GLY  75           H        GLY  75   5.776   4.935   2.737
  554    HA2  GLY  75           2HA      GLY  75   6.591   7.435   2.030
  555    HA3  GLY  75           1HA      GLY  75   7.443   6.386   0.883
  556    H    GLY  76           H        GLY  76   5.972   7.550  -0.687
  557    HA2  GLY  76           2HA      GLY  76   3.695   5.779  -1.224
  558    HA3  GLY  76           1HA      GLY  76   3.313   7.504  -1.078
  559    H    GLY  77           H        GLY  77   2.709   6.403  -3.360
  560    HA2  GLY  77           2HA      GLY  77   4.276   7.759  -5.366
  561    HA3  GLY  77           1HA      GLY  77   4.460   5.995  -5.442
  562    H    ARG  78           H        ARG  78   3.281   6.112  -7.536
  563    HA   ARG  78           HA       ARG  78   0.371   5.978  -7.113
  564    HE   ARG  78           HE       ARG  78   2.381   9.400 -12.227
  565    HB2  ARG  78           2HB      ARG  78  -0.105   7.281  -9.129
  566    HB3  ARG  78           3HB      ARG  78   0.725   8.257  -7.918
  567    HG2  ARG  78           2HG      ARG  78   2.883   7.869  -9.208
  568    HG3  ARG  78           3HG      ARG  78   1.913   7.039 -10.442
  569    HD2  ARG  78           2HD      ARG  78   0.597   9.078 -10.821
  570    HD3  ARG  78           3HD      ARG  78   1.433   9.915  -9.514
  571   HH11  ARG  78          1HH1      ARG  78   3.393  10.433  -8.959
  572   HH12  ARG  78          2HH1      ARG  78   4.911  11.071  -9.537
  573   HH21  ARG  78          1HH2      ARG  78   4.388  10.265 -12.897
  574   HH22  ARG  78          2HH2      ARG  78   5.454  10.995 -11.723
  575    H    ILE  79           H        ILE  79  -0.650   4.873  -8.933
  576    HA   ILE  79           HA       ILE  79   1.117   2.622  -9.781
  577    HB   ILE  79           HB       ILE  79  -1.707   2.662  -8.669
  578   HG12  ILE  79          2HG1      ILE  79   0.825   1.248  -7.713
  579   HG13  ILE  79          3HG1      ILE  79   0.166   2.728  -7.021
  580   HG21  ILE  79          1HG2      ILE  79  -0.184   0.260  -9.828
  581   HG22  ILE  79          2HG2      ILE  79  -1.776   0.196  -9.037
  582   HG23  ILE  79          3HG2      ILE  79  -1.613   1.025 -10.561
  583   HD11  ILE  79          3HD1      ILE  79  -1.914   1.488  -6.389
  584   HD12  ILE  79          1HD1      ILE  79  -1.136  -0.019  -6.935
  585   HD13  ILE  79          2HD1      ILE  79  -0.439   0.893  -5.600
  586    H    SER  80           H        SER  80   0.674   1.741 -11.763
  587    HA   SER  80           HA       SER  80   0.383   1.751 -13.974
  588    HG   SER  80           HG       SER  80  -3.090   1.291 -13.375
  589    HB2  SER  80           2HB      SER  80  -2.189   3.277 -13.431
  590    HB3  SER  80           3HB      SER  80  -1.750   2.483 -14.950
  591    H    HIS  81           H        HIS  81  -0.026   3.297 -15.958
  592    HA   HIS  81           HA       HIS  81   0.909   6.001 -15.674
  593    HD1  HIS  81           HD1      HIS  81   5.164   3.586 -16.456
  594    HD2  HIS  81           HD2      HIS  81   1.331   2.646 -17.926
  595    HE1  HIS  81           HE1      HIS  81   5.369   1.338 -17.624
  596    HB2  HIS  81           2HB      HIS  81   2.977   5.683 -17.010
  597    HB3  HIS  81           3HB      HIS  81   3.053   4.986 -15.414
  598    H    GLN  82           H        GLN  82   1.636   6.398 -18.354
  599    HA   GLN  82           HA       GLN  82  -0.839   6.485 -19.715
  600    HB2  GLN  82           2HB      GLN  82   2.014   6.499 -20.800
  601    HB3  GLN  82           3HB      GLN  82   0.575   6.904 -21.743
  602    HG2  GLN  82           2HG      GLN  82   0.085   8.783 -20.185
  603    HG3  GLN  82           3HG      GLN  82   1.581   8.439 -19.310
  604   HE21  GLN  82          2HE2      GLN  82   1.305  10.969 -20.339
  605   HE22  GLN  82          1HE2      GLN  82   2.337  11.181 -21.731
  606    H    SER  83           H        SER  83  -1.579   5.338 -21.573
  607    HA   SER  83           HA       SER  83  -1.509   2.545 -21.438
  608    HG   SER  83           HG       SER  83  -4.409   4.418 -22.557
  609    HB2  SER  83           2HB      SER  83  -2.451   4.266 -23.761
  610    HB3  SER  83           3HB      SER  83  -3.079   2.687 -23.253
  611    H    GLN  84           H        GLN  84   1.222   3.777 -22.121
  612    HA   GLN  84           HA       GLN  84   1.956   2.929 -24.791
  613    HB2  GLN  84           2HB      GLN  84   3.617   3.417 -22.275
  614    HB3  GLN  84           3HB      GLN  84   4.267   3.101 -23.887
  615    HG2  GLN  84           2HG      GLN  84   3.127   5.171 -24.732
  616    HG3  GLN  84           3HG      GLN  84   2.568   5.505 -23.093
  617   HE21  GLN  84          2HE2      GLN  84   3.760   7.477 -22.743
  618   HE22  GLN  84          1HE2      GLN  84   5.505   7.493 -22.709
  619    H    ASP  85           H        ASP  85   1.355   1.287 -21.756
  620    HA   ASP  85           HA       ASP  85   1.809  -1.293 -23.027
  621    HB2  ASP  85           2HB      ASP  85   3.969  -0.529 -21.707
  622    HB3  ASP  85           3HB      ASP  85   3.015  -0.892 -20.273
  623    H    LYS  86           H        LYS  86   0.979  -2.984 -21.273
  624    HA   LYS  86           HA       LYS  86  -1.471  -1.889 -19.953
  625    HB2  LYS  86           2HB      LYS  86  -1.878  -3.214 -22.043
  626    HB3  LYS  86           3HB      LYS  86  -1.112  -4.611 -21.275
  627    HG2  LYS  86           2HG      LYS  86  -2.875  -4.662 -19.556
  628    HG3  LYS  86           3HG      LYS  86  -3.580  -3.167 -20.209
  629    HD2  LYS  86           2HD      LYS  86  -4.078  -4.349 -22.345
  630    HD3  LYS  86           3HD      LYS  86  -3.305  -5.807 -21.715
  631    HE2  LYS  86           2HE      LYS  86  -5.667  -6.107 -21.501
  632    HE3  LYS  86           3HE      LYS  86  -4.994  -5.911 -19.882
  633    HZ1  LYS  86           3HZ      LYS  86  -5.788  -3.610 -19.913
  634    HZ2  LYS  86           1HZ      LYS  86  -6.388  -3.794 -21.425
  635    HZ3  LYS  86           2HZ      LYS  86  -7.023  -4.633 -20.185
  636    H    LYS  87           H        LYS  87   1.511  -3.682 -19.594
  637    HA   LYS  87           HA       LYS  87   0.965  -5.126 -17.189
  638    HB2  LYS  87           2HB      LYS  87   2.992  -5.225 -18.704
  639    HB3  LYS  87           3HB      LYS  87   3.535  -3.686 -18.013
  640    HG2  LYS  87           2HG      LYS  87   3.689  -4.746 -15.791
  641    HG3  LYS  87           3HG      LYS  87   3.067  -6.262 -16.467
  642    HD2  LYS  87           2HD      LYS  87   5.676  -4.892 -17.260
  643    HD3  LYS  87           3HD      LYS  87   5.514  -6.311 -16.224
  644    HE2  LYS  87           2HE      LYS  87   4.344  -7.464 -18.205
  645    HE3  LYS  87           3HE      LYS  87   4.911  -6.112 -19.196
  646    HZ1  LYS  87           3HZ      LYS  87   7.196  -6.723 -18.480
  647    HZ2  LYS  87           1HZ      LYS  87   6.573  -8.028 -17.675
  648    HZ3  LYS  87           2HZ      LYS  87   6.458  -7.926 -19.303
  649    H    ILE  88           H        ILE  88   0.897  -4.400 -15.023
  650    HA   ILE  88           HA       ILE  88   0.141  -1.607 -14.678
  651    HB   ILE  88           HB       ILE  88   0.511  -3.845 -12.640
  652   HG12  ILE  88          2HG1      ILE  88  -2.133  -3.534 -12.636
  653   HG13  ILE  88          3HG1      ILE  88  -1.882  -2.920 -14.262
  654   HG21  ILE  88          1HG2      ILE  88  -0.892  -1.140 -12.359
  655   HG22  ILE  88          2HG2      ILE  88  -0.875  -2.431 -11.141
  656   HG23  ILE  88          3HG2      ILE  88   0.616  -1.610 -11.542
  657   HD11  ILE  88          3HD1      ILE  88  -0.943  -5.126 -14.926
  658   HD12  ILE  88          1HD1      ILE  88  -1.024  -5.668 -13.231
  659   HD13  ILE  88          2HD1      ILE  88  -2.508  -5.328 -14.140
  660    H    HIS  89           H        HIS  89   1.340  -0.163 -13.117
  661    HA   HIS  89           HA       HIS  89   4.219  -0.765 -12.927
  662    HD1  HIS  89           HD1      HIS  89   6.166  -0.558 -14.772
  663    HD2  HIS  89           HD2      HIS  89   5.458   3.341 -13.328
  664    HE1  HIS  89           HE1      HIS  89   8.440   0.580 -14.617
  665    HB2  HIS  89           2HB      HIS  89   3.591   0.595 -15.051
  666    HB3  HIS  89           3HB      HIS  89   3.288   1.931 -13.938
  667    H    VAL  90           H        VAL  90   5.294   0.746 -11.354
  668    HA   VAL  90           HA       VAL  90   3.495   2.312  -9.617
  669    HB   VAL  90           HB       VAL  90   5.546   0.393  -8.455
  670   HG11  VAL  90          1HG1      VAL  90   3.090   1.783  -7.259
  671   HG12  VAL  90          2HG1      VAL  90   4.282   0.816  -6.368
  672   HG13  VAL  90          3HG1      VAL  90   4.752   2.357  -7.107
  673   HG21  VAL  90          3HG2      VAL  90   2.572  -0.221  -8.746
  674   HG22  VAL  90          1HG2      VAL  90   3.926  -1.117  -9.473
  675   HG23  VAL  90          2HG2      VAL  90   3.719  -1.116  -7.725
  676    H    TYR  91           H        TYR  91   4.574   4.240  -9.012
  677    HA   TYR  91           HA       TYR  91   7.408   4.477  -8.809
  678    HD1  TYR  91           HD1      TYR  91   4.221   5.086 -11.162
  679    HD2  TYR  91           HD2      TYR  91   7.726   7.304 -12.356
  680    HE1  TYR  91           HE1      TYR  91   2.830   6.484 -12.592
  681    HE2  TYR  91           HE2      TYR  91   6.326   8.721 -13.824
  682    HH   TYR  91           HH       TYR  91   2.795   8.200 -14.219
  683    HB2  TYR  91           2HB      TYR  91   7.957   5.770 -10.688
  684    HB3  TYR  91           3HB      TYR  91   7.223   4.335 -11.334
  685    H    GLY  92           H        GLY  92   7.852   7.130  -8.901
  686    HA2  GLY  92           2HA      GLY  92   6.878   9.291  -8.600
  687    HA3  GLY  92           1HA      GLY  92   5.430   8.562  -7.918
  688    H    TYR  93           H        TYR  93   5.901  10.301  -6.245
  689    HA   TYR  93           HA       TYR  93   7.177   9.099  -3.953
  690    HD1  TYR  93           HD2      TYR  93   7.985  11.631  -7.121
  691    HD2  TYR  93           HD1      TYR  93   8.820  13.109  -3.154
  692    HE1  TYR  93           HE2      TYR  93   7.940  13.951  -7.977
  693    HE2  TYR  93           HE1      TYR  93   8.777  15.424  -3.998
  694    HH   TYR  93           HH       TYR  93   8.489  16.802  -5.858
  695    HB2  TYR  93           2HB      TYR  93   8.761  10.813  -3.498
  696    HB3  TYR  93           3HB      TYR  93   9.126  10.194  -5.090
  697    H    SER  94           H        SER  94   6.508  10.145  -1.995
  698    HA   SER  94           HA       SER  94   4.220  12.016  -2.199
  699    HG   SER  94           HG       SER  94   3.608  12.486   0.238
  700    HB2  SER  94           2HB      SER  94   3.965  10.235  -0.567
  701    HB3  SER  94           3HB      SER  94   5.600  10.469   0.029
  702    H    MET  95           H        MET  95   4.394  14.152  -1.140
  703    HA   MET  95           HA       MET  95   7.180  15.199  -1.260
  704    HB2  MET  95           2HB      MET  95   6.396  17.284  -1.392
  705    HB3  MET  95           3HB      MET  95   4.990  16.489  -2.087
  706    HG2  MET  95           2HG      MET  95   3.889  16.599   0.174
  707    HG3  MET  95           3HG      MET  95   5.318  17.397   0.808
  708    HE1  MET  95           3HE      MET  95   2.654  18.746   1.388
  709    HE2  MET  95           1HE      MET  95   4.225  19.481   1.782
  710    HE3  MET  95           2HE      MET  95   2.982  20.437   0.946
  711    H    ALA  96           H        ALA  96   4.454  14.437   0.961
  712    HA   ALA  96           HA       ALA  96   5.834  15.541   3.256
  713    HB1  ALA  96           3HB      ALA  96   3.412  15.510   3.150
  714    HB2  ALA  96           1HB      ALA  96   3.400  13.740   3.022
  715    HB3  ALA  96           2HB      ALA  96   3.949  14.521   4.522
  716    H    TYR  97           H        TYR  97   5.760  12.328   1.794
  717    HA   TYR  97           HA       TYR  97   7.394  11.260   4.057
  718    HD1  TYR  97           HD2      TYR  97   5.789  10.507   6.122
  719    HD2  TYR  97           HD1      TYR  97   3.234  11.096   2.696
  720    HE1  TYR  97           HE2      TYR  97   4.014  11.414   7.596
  721    HE2  TYR  97           HE1      TYR  97   1.439  11.892   4.146
  722    HH   TYR  97           HH       TYR  97   0.833  12.517   6.337
  723    HB2  TYR  97           2HB      TYR  97   5.260   9.807   2.466
  724    HB3  TYR  97           3HB      TYR  97   6.112   9.220   3.884
  725    H    GLY  98           H        GLY  98   7.630  11.895   0.732
  726    HA2  GLY  98           2HA      GLY  98   9.376  11.384  -0.659
  727    HA3  GLY  98           1HA      GLY  98  10.050  10.326   0.579
  728    HA   PRO  99           HA       PRO  99   8.265   7.645  -2.838
  729    HB2  PRO  99           2HB      PRO  99  10.569   6.476  -3.716
  730    HB3  PRO  99           3HB      PRO  99   9.987   8.045  -4.345
  731    HG2  PRO  99           2HG      PRO  99  12.094   7.547  -2.231
  732    HG3  PRO  99           3HG      PRO  99  12.150   8.689  -3.609
  733    HD2  PRO  99           2HD      PRO  99  11.467   9.438  -1.049
  734    HD3  PRO  99           3HD      PRO  99  10.796  10.242  -2.496
  735    H    ALA 100           H        ALA 100   7.684   5.576  -2.350
  736    HA   ALA 100           HA       ALA 100   8.668   4.263   0.093
  737    HB1  ALA 100           3HB      ALA 100   6.275   4.123  -0.545
  738    HB2  ALA 100           1HB      ALA 100   6.740   3.467  -2.129
  739    HB3  ALA 100           2HB      ALA 100   7.020   2.518  -0.650
  740    H    GLN 101           H        GLN 101   9.245   1.861  -0.153
  741    HA   GLN 101           HA       GLN 101  11.229   1.411  -2.296
  742    HB2  GLN 101           2HB      GLN 101  10.252  -0.324   0.019
  743    HB3  GLN 101           3HB      GLN 101  11.401  -0.867  -1.206
  744    HG2  GLN 101           2HG      GLN 101  11.804   1.404   0.766
  745    HG3  GLN 101           3HG      GLN 101  12.554  -0.200   0.804
  746   HE21  GLN 101          2HE2      GLN 101  13.139   3.000  -0.104
  747   HE22  GLN 101          1HE2      GLN 101  14.416   2.716  -1.258
  748    H    HIS 102           H        HIS 102   9.707   1.702  -4.022
  749    HA   HIS 102           HA       HIS 102   7.295   0.395  -4.300
  750    HD1  HIS 102           HD1      HIS 102   9.401   3.996  -5.783
  751    HD2  HIS 102           HD2      HIS 102   5.691   2.176  -4.971
  752    HE1  HIS 102           HE1      HIS 102   7.902   5.787  -4.816
  753    HB2  HIS 102           2HB      HIS 102   9.238   1.360  -6.420
  754    HB3  HIS 102           3HB      HIS 102   7.576   0.859  -6.751
  755    H    ALA 103           H        ALA 103  10.301  -1.143  -4.363
  756    HA   ALA 103           HA       ALA 103   9.838  -3.460  -5.960
  757    HB1  ALA 103           3HB      ALA 103  12.054  -2.811  -5.053
  758    HB2  ALA 103           1HB      ALA 103  11.458  -3.008  -3.389
  759    HB3  ALA 103           2HB      ALA 103  11.599  -4.421  -4.461
  760    H    ILE 104           H        ILE 104   8.944  -2.603  -2.569
  761    HA   ILE 104           HA       ILE 104   8.001  -5.245  -1.880
  762    HB   ILE 104           HB       ILE 104   7.318  -2.517  -0.695
  763   HG12  ILE 104          2HG1      ILE 104   9.461  -4.506   0.194
  764   HG13  ILE 104          3HG1      ILE 104   9.776  -2.996  -0.661
  765   HG21  ILE 104          1HG2      ILE 104   7.060  -5.312   0.518
  766   HG22  ILE 104          2HG2      ILE 104   6.641  -3.781   1.321
  767   HG23  ILE 104          3HG2      ILE 104   5.714  -4.313  -0.070
  768   HD11  ILE 104          3HD1      ILE 104   8.712  -1.732   1.218
  769   HD12  ILE 104          1HD1      ILE 104   8.664  -3.254   2.146
  770   HD13  ILE 104          2HD1      ILE 104  10.216  -2.582   1.628
  771    H    SER 105           H        SER 105   6.487  -2.197  -3.077
  772    HA   SER 105           HA       SER 105   3.844  -2.991  -3.111
  773    HG   SER 105           HG       SER 105   4.956   0.417  -3.618
  774    HB2  SER 105           2HB      SER 105   4.958  -1.261  -5.317
  775    HB3  SER 105           3HB      SER 105   3.474  -1.070  -4.365
  776    H    THR 106           H        THR 106   6.309  -3.372  -5.815
  777    HA   THR 106           HA       THR 106   4.368  -4.439  -7.585
  778    HB   THR 106           HB       THR 106   6.463  -5.417  -8.738
  779    HG1  THR 106           1HG      THR 106   8.373  -4.926  -7.921
  780   HG21  THR 106          3HG2      THR 106   5.326  -3.383  -9.405
  781   HG22  THR 106          1HG2      THR 106   6.219  -2.431  -8.196
  782   HG23  THR 106          2HG2      THR 106   7.077  -3.197  -9.558
  783    H    GLU 107           H        GLU 107   6.721  -6.182  -5.425
  784    HA   GLU 107           HA       GLU 107   5.910  -8.728  -6.324
  785    HB2  GLU 107           2HB      GLU 107   6.989  -7.880  -3.607
  786    HB3  GLU 107           3HB      GLU 107   6.815  -9.558  -4.129
  787    HG2  GLU 107           2HG      GLU 107   8.578  -7.461  -5.467
  788    HG3  GLU 107           3HG      GLU 107   9.126  -8.754  -4.412
  789    H    LYS 108           H        LYS 108   4.463  -6.683  -3.760
  790    HA   LYS 108           HA       LYS 108   2.563  -8.719  -2.967
  791    HB2  LYS 108           2HB      LYS 108   2.723  -5.710  -2.521
  792    HB3  LYS 108           3HB      LYS 108   1.426  -6.730  -1.873
  793    HG2  LYS 108           2HG      LYS 108   3.031  -8.146  -0.700
  794    HG3  LYS 108           3HG      LYS 108   4.380  -7.176  -1.304
  795    HD2  LYS 108           2HD      LYS 108   3.609  -5.215  -0.104
  796    HD3  LYS 108           3HD      LYS 108   2.120  -6.029   0.405
  797    HE2  LYS 108           2HE      LYS 108   4.856  -7.167   1.083
  798    HE3  LYS 108           3HE      LYS 108   4.102  -5.919   2.091
  799    HZ1  LYS 108           3HZ      LYS 108   2.324  -7.304   2.613
  800    HZ2  LYS 108           1HZ      LYS 108   2.587  -8.350   1.433
  801    HZ3  LYS 108           2HZ      LYS 108   3.624  -8.308   2.733
  802    H    ILE 109           H        ILE 109   2.295  -5.890  -5.230
  803    HA   ILE 109           HA       ILE 109  -0.484  -6.393  -5.735
  804    HB   ILE 109           HB       ILE 109   1.578  -4.867  -7.376
  805   HG12  ILE 109          2HG1      ILE 109  -0.649  -3.739  -5.602
  806   HG13  ILE 109          3HG1      ILE 109   0.943  -4.055  -4.959
  807   HG21  ILE 109          1HG2      ILE 109  -1.486  -4.744  -7.553
  808   HG22  ILE 109          2HG2      ILE 109  -0.333  -3.816  -8.535
  809   HG23  ILE 109          3HG2      ILE 109  -0.471  -5.555  -8.742
  810   HD11  ILE 109          3HD1      ILE 109   1.949  -2.520  -6.647
  811   HD12  ILE 109          1HD1      ILE 109   0.315  -2.114  -7.219
  812   HD13  ILE 109          2HD1      ILE 109   0.795  -1.723  -5.563
  813    H    LYS 110           H        LYS 110   2.532  -7.618  -7.322
  814    HA   LYS 110           HA       LYS 110   1.249  -9.138  -9.383
  815    HB2  LYS 110           2HB      LYS 110   3.760  -9.725  -7.758
  816    HB3  LYS 110           3HB      LYS 110   3.244 -10.674  -9.147
  817    HG2  LYS 110           2HG      LYS 110   3.652  -8.879 -10.684
  818    HG3  LYS 110           3HG      LYS 110   3.939  -7.722  -9.377
  819    HD2  LYS 110           2HD      LYS 110   5.834  -9.165  -8.574
  820    HD3  LYS 110           3HD      LYS 110   5.614 -10.195  -9.999
  821    HE2  LYS 110           2HE      LYS 110   6.169  -8.287 -11.468
  822    HE3  LYS 110           3HE      LYS 110   6.249  -7.213 -10.068
  823    HZ1  LYS 110           3HZ      LYS 110   8.086  -8.615  -9.219
  824    HZ2  LYS 110           1HZ      LYS 110   8.070  -9.481 -10.609
  825    HZ3  LYS 110           2HZ      LYS 110   8.451  -7.894 -10.655
  826    H    ALA 111           H        ALA 111   2.150 -10.059  -5.988
  827    HA   ALA 111           HA       ALA 111   1.127 -12.660  -6.125
  828    HB1  ALA 111           3HB      ALA 111   2.632 -11.851  -4.343
  829    HB2  ALA 111           1HB      ALA 111   1.320 -10.846  -3.681
  830    HB3  ALA 111           2HB      ALA 111   1.181 -12.613  -3.668
  831    H    LYS 112           H        LYS 112  -0.666  -9.619  -5.506
  832    HA   LYS 112           HA       LYS 112  -3.036 -10.804  -4.509
  833    HB2  LYS 112           2HB      LYS 112  -2.477  -8.318  -4.586
  834    HB3  LYS 112           3HB      LYS 112  -2.914  -8.341  -6.304
  835    HG2  LYS 112           2HG      LYS 112  -5.197  -9.228  -5.635
  836    HG3  LYS 112           3HG      LYS 112  -4.708  -9.045  -3.942
  837    HD2  LYS 112           2HD      LYS 112  -4.454  -6.589  -4.321
  838    HD3  LYS 112           3HD      LYS 112  -4.893  -6.812  -6.012
  839    HE2  LYS 112           2HE      LYS 112  -6.827  -6.005  -4.812
  840    HE3  LYS 112           3HE      LYS 112  -7.121  -7.660  -5.343
  841    HZ1  LYS 112           3HZ      LYS 112  -6.649  -8.404  -3.078
  842    HZ2  LYS 112           1HZ      LYS 112  -6.349  -6.868  -2.577
  843    HZ3  LYS 112           2HZ      LYS 112  -7.845  -7.303  -3.068
  844    H    TYR 113           H        TYR 113  -1.907 -10.395  -7.899
  845    HA   TYR 113           HA       TYR 113  -4.000 -12.242  -8.818
  846    HD1  TYR 113           HD2      TYR 113  -6.718 -11.677  -9.150
  847    HD2  TYR 113           HD1      TYR 113  -4.231 -10.140 -12.317
  848    HE1  TYR 113           HE2      TYR 113  -8.318 -12.556 -10.825
  849    HE2  TYR 113           HE1      TYR 113  -5.829 -10.990 -14.000
  850    HH   TYR 113           HH       TYR 113  -7.827 -12.140 -14.365
  851    HB2  TYR 113           2HB      TYR 113  -4.992  -9.910  -8.757
  852    HB3  TYR 113           3HB      TYR 113  -3.849  -9.449 -10.002
  853    HA   PRO 114           HA       PRO 114   0.238 -12.467 -10.586
  854    HB2  PRO 114           2HB      PRO 114   0.617 -15.194 -10.559
  855    HB3  PRO 114           3HB      PRO 114   0.793 -14.142  -9.123
  856    HG2  PRO 114           2HG      PRO 114  -1.633 -15.762  -9.957
  857    HG3  PRO 114           3HG      PRO 114  -0.840 -15.706  -8.348
  858    HD2  PRO 114           2HD      PRO 114  -3.031 -14.207  -8.903
  859    HD3  PRO 114           3HD      PRO 114  -1.703 -13.550  -7.899
  860    H    ASP 115           H        ASP 115  -2.751 -13.418 -11.929
  861    HA   ASP 115           HA       ASP 115  -1.781 -14.461 -14.458
  862    HB2  ASP 115           2HB      ASP 115  -4.079 -14.842 -13.679
  863    HB3  ASP 115           3HB      ASP 115  -4.390 -13.107 -13.712
  864    H    TYR 116           H        TYR 116  -1.888 -11.297 -12.983
  865    HA   TYR 116           HA       TYR 116  -1.131  -9.987 -15.564
  866    HD1  TYR 116           HD2      TYR 116  -3.217  -9.984 -16.300
  867    HD2  TYR 116           HD1      TYR 116  -4.101  -7.324 -13.010
  868    HE1  TYR 116           HE2      TYR 116  -5.527  -9.749 -17.113
  869    HE2  TYR 116           HE1      TYR 116  -6.421  -7.089 -13.820
  870    HH   TYR 116           HH       TYR 116  -7.976  -7.706 -15.446
  871    HB2  TYR 116           2HB      TYR 116  -2.097  -8.755 -12.957
  872    HB3  TYR 116           3HB      TYR 116  -1.558  -7.865 -14.367
  873    H    GLU 117           H        GLU 117   0.510  -8.089 -14.937
  874    HA   GLU 117           HA       GLU 117   2.505  -9.000 -12.978
  875    HB2  GLU 117           2HB      GLU 117   3.102 -10.113 -15.083
  876    HB3  GLU 117           3HB      GLU 117   3.117  -8.568 -15.937
  877    HG2  GLU 117           2HG      GLU 117   5.004  -7.791 -14.688
  878    HG3  GLU 117           3HG      GLU 117   4.872  -9.103 -13.506
  879    H    VAL 118           H        VAL 118   4.108  -7.268 -12.576
  880    HA   VAL 118           HA       VAL 118   3.028  -4.557 -12.949
  881    HB   VAL 118           HB       VAL 118   3.858  -5.582 -10.225
  882   HG11  VAL 118          1HG1      VAL 118   1.879  -3.389 -10.908
  883   HG12  VAL 118          2HG1      VAL 118   2.670  -3.700  -9.360
  884   HG13  VAL 118          3HG1      VAL 118   3.604  -3.089 -10.739
  885   HG21  VAL 118          3HG2      VAL 118   0.970  -5.651 -11.198
  886   HG22  VAL 118          1HG2      VAL 118   1.961  -7.069 -10.807
  887   HG23  VAL 118          2HG2      VAL 118   1.561  -5.931  -9.544
  888    H    THR 119           H        THR 119   4.784  -3.025 -12.966
  889    HA   THR 119           HA       THR 119   7.496  -3.997 -12.192
  890    HB   THR 119           HB       THR 119   8.259  -2.569 -14.194
  891    HG1  THR 119           1HG      THR 119   6.610  -2.546 -15.879
  892   HG21  THR 119          3HG2      THR 119   8.385  -5.003 -14.205
  893   HG22  THR 119          1HG2      THR 119   6.687  -5.130 -14.693
  894   HG23  THR 119          2HG2      THR 119   7.886  -4.418 -15.801
  895    H    TRP 120           H        TRP 120   9.048  -2.009 -11.985
  896    HA   TRP 120           HA       TRP 120   7.650   0.460 -11.354
  897    HD1  TRP 120           HD1      TRP 120   9.257  -2.957  -9.009
  898    HE1  TRP 120           HE1      TRP 120  11.555  -3.348  -7.988
  899    HE3  TRP 120           HE3      TRP 120  10.826   1.928  -8.698
  900    HZ2  TRP 120           HZ2      TRP 120  13.800  -1.752  -7.099
  901    HZ3  TRP 120           HZ3      TRP 120  13.075   2.430  -7.763
  902    HH2  TRP 120           HH2      TRP 120  14.553   0.620  -6.962
  903    HB2  TRP 120           2HB      TRP 120   8.561   0.801  -9.191
  904    HB3  TRP 120           3HB      TRP 120   7.690  -0.713  -9.160
  905    H    ALA 121           H        ALA 121   9.018   2.261 -11.502
  906    HA   ALA 121           HA       ALA 121  11.894   2.050 -11.784
  907    HB1  ALA 121           3HB      ALA 121  11.288   1.566 -14.129
  908    HB2  ALA 121           1HB      ALA 121  10.203   2.975 -14.166
  909    HB3  ALA 121           2HB      ALA 121  11.956   3.204 -13.993
  910    H    ASN 122           H        ASN 122  12.133   3.524 -10.132
  911    HA   ASN 122           HA       ASN 122  10.058   5.310  -9.486
  912    HB2  ASN 122           2HB      ASN 122  12.137   4.358  -8.068
  913    HB3  ASN 122           3HB      ASN 122  12.771   5.970  -8.401
  914   HD21  ASN 122          2HD2      ASN 122  10.590   7.657  -8.205
  915   HD22  ASN 122          1HD2      ASN 122   9.685   7.404  -6.714
  916    H    ASP 123           H        ASP 123  12.726   5.711 -11.626
  917    HA   ASP 123           HA       ASP 123  13.576   8.289 -11.437
  918    HB2  ASP 123           2HB      ASP 123  14.557   6.519 -12.839
  919    HB3  ASP 123           3HB      ASP 123  13.168   6.617 -13.932
  920    H    GLY 124           H        GLY 124  10.550   7.295 -12.945
  921    HA2  GLY 124           2HA      GLY 124  10.035   9.640 -14.482
  922    HA3  GLY 124           1HA      GLY 124   8.821   8.520 -13.867
  923    H    TYR 125           H        TYR 125   9.893   9.128 -11.023
  924    HA   TYR 125           HA       TYR 125   8.832  10.264  -9.301
  925    HD1  TYR 125           HD1      TYR 125  10.304  10.577  -7.244
  926    HD2  TYR 125           HD2      TYR 125  12.849  11.066 -10.690
  927    HE1  TYR 125           HE1      TYR 125  12.060   9.255  -6.122
  928    HE2  TYR 125           HE2      TYR 125  14.613   9.728  -9.582
  929    HH   TYR 125           HH       TYR 125  14.203   8.342  -6.289
  930    HB2  TYR 125           2HB      TYR 125  10.755  12.199 -10.624
  931    HB3  TYR 125           3HB      TYR 125  10.038  12.481  -9.047