*HEADER    TRANSCRIPTION REGULATOR/DNA             30-DEC-14   2MXF              
*TITLE     STRUCTURE OF THE DNA COMPLEX OF THE C-TERMINAL DOMAIN OF MVAT         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MVAT;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN (UNP RESIDUES 77-124);                   
*COMPND   5 SYNONYM: TRANSCRIPTIONAL REGULATOR MVAT, P16 SUBUNIT;                
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: 5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3';              
*COMPND   9 CHAIN: B, C;                                                         
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1;                    
*SOURCE   3 ORGANISM_TAXID: 208964;                                              
*SOURCE   4 STRAIN: PAO1;                                                        
*SOURCE   5 GENE: MVAT, PA4315;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET21B;                                    
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 SYNTHETIC: YES                                                       
*KEYWDS    TRANSCRIPTION REGULATOR-DNA COMPLEX                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.DING, B.XIA                                                         
*REVDAT   1   01-JUL-15 2MXF    0                                                


# 760 atoms read from pdb file DNA.pdb.
# 48 CYT GAMMA:  (48 DC5 O5')-(48 DC5 C5')-(48 DC5 C4')-(48 DC5 C3')  25.0  95.0
 &rst     iat =   766,   767,   770,   787,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
   rk2 =   75.0, rk3 =   75.0,    &end

# 48 CYT DELTA:  (48 DC5 C5')-(48 DC5 C4')-(48 DC5 C3')-(48 DC5 O3') 115.0 175.0
 &rst     iat =   767,   770,   787,   792,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 48 CYT EPSILN:  (48 DC5 C4')-(48 DC5 C3')-(48 DC5 O3')-(49 DG P) 150.0 300.0
 &rst     iat =   770,   787,   792,   793,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 48 CYT ZETA:  (48 DC5 C3')-(48 DC5 O3')-(49 DG P)-(49 DG O5') -130.0 -60.0
 &rst     iat =   787,   792,   793,   796,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 48 CYT CHI:  (48 DC5 O4')-(48 DC5 C1')-(48 DC5 N1)-(48 DC5 C2) -160.0 -85.0
 &rst     iat =   772,   773,   775,   785,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 49 GUA ALPHA:  (48 DC5 O3')-(49 DG P)-(49 DG O5')-(49 DG C5') -90.0 -30.0
 &rst     iat =   792,   793,   796,   797,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 49 GUA BETA:  (49 DG P)-(49 DG O5')-(49 DG C5')-(49 DG C4') 150.0 210.0
 &rst     iat =   793,   796,   797,   800,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 49 GUA GAMMA:  (49 DG O5')-(49 DG C5')-(49 DG C4')-(49 DG C3')  25.0  95.0
 &rst     iat =   796,   797,   800,   820,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 49 GUA DELTA:  (49 DG C5')-(49 DG C4')-(49 DG C3')-(49 DG O3') 115.0 175.0
 &rst     iat =   797,   800,   820,   825,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 49 GUA EPSILN:  (49 DG C4')-(49 DG C3')-(49 DG O3')-(50 DC P) 150.0 300.0
 &rst     iat =   800,   820,   825,   826,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 49 GUA ZETA:  (49 DG C3')-(49 DG O3')-(50 DC P)-(50 DC O5') -130.0 -60.0
 &rst     iat =   820,   825,   826,   829,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 49 GUA CHI:  (49 DG O4')-(49 DG C1')-(49 DG N9)-(49 DG C4) -160.0 -85.0
 &rst     iat =   802,   803,   805,   819,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 50 CYT ALPHA:  (49 DG O3')-(50 DC P)-(50 DC O5')-(50 DC C5') -90.0 -30.0
 &rst     iat =   825,   826,   829,   830,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 50 CYT BETA:  (50 DC P)-(50 DC O5')-(50 DC C5')-(50 DC C4') 150.0 210.0
 &rst     iat =   826,   829,   830,   833,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 50 CYT GAMMA:  (50 DC O5')-(50 DC C5')-(50 DC C4')-(50 DC C3')  25.0  95.0
 &rst     iat =   829,   830,   833,   850,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 50 CYT DELTA:  (50 DC C5')-(50 DC C4')-(50 DC C3')-(50 DC O3') 115.0 175.0
 &rst     iat =   830,   833,   850,   855,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 50 CYT EPSILN:  (50 DC C4')-(50 DC C3')-(50 DC O3')-(51 DA P) 150.0 300.0
 &rst     iat =   833,   850,   855,   856,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 50 CYT ZETA:  (50 DC C3')-(50 DC O3')-(51 DA P)-(51 DA O5') -130.0 -60.0
 &rst     iat =   850,   855,   856,   859,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 50 CYT CHI:  (50 DC O4')-(50 DC C1')-(50 DC N1)-(50 DC C2) -160.0 -85.0
 &rst     iat =   835,   836,   838,   848,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 51 ADE ALPHA:  (50 DC O3')-(51 DA P)-(51 DA O5')-(51 DA C5') -90.0 -30.0
 &rst     iat =   855,   856,   859,   860,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 51 ADE BETA:  (51 DA P)-(51 DA O5')-(51 DA C5')-(51 DA C4') 150.0 210.0
 &rst     iat =   856,   859,   860,   863,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 51 ADE GAMMA:  (51 DA O5')-(51 DA C5')-(51 DA C4')-(51 DA C3')  25.0  95.0
 &rst     iat =   859,   860,   863,   882,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 51 ADE DELTA:  (51 DA C5')-(51 DA C4')-(51 DA C3')-(51 DA O3') 115.0 175.0
 &rst     iat =   860,   863,   882,   887,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 51 ADE EPSILN:  (51 DA C4')-(51 DA C3')-(51 DA O3')-(52 DT P) 150.0 300.0
 &rst     iat =   863,   882,   887,   888,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 51 ADE ZETA:  (51 DA C3')-(51 DA O3')-(52 DT P)-(52 DT O5') -130.0 -60.0
 &rst     iat =   882,   887,   888,   891,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 51 ADE CHI:  (51 DA O4')-(51 DA C1')-(51 DA N9)-(51 DA C4) -160.0 -85.0
 &rst     iat =   865,   866,   868,   881,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 52 THY ALPHA:  (51 DA O3')-(52 DT P)-(52 DT O5')-(52 DT C5') -90.0 -30.0
 &rst     iat =   887,   888,   891,   892,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 52 THY BETA:  (52 DT P)-(52 DT O5')-(52 DT C5')-(52 DT C4') 150.0 210.0
 &rst     iat =   888,   891,   892,   895,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 52 THY GAMMA:  (52 DT O5')-(52 DT C5')-(52 DT C4')-(52 DT C3')  25.0  95.0
 &rst     iat =   891,   892,   895,   914,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 52 THY DELTA:  (52 DT C5')-(52 DT C4')-(52 DT C3')-(52 DT O3') 115.0 175.0
 &rst     iat =   892,   895,   914,   919,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 52 THY EPSILN:  (52 DT C4')-(52 DT C3')-(52 DT O3')-(53 DA P) 150.0 300.0
 &rst     iat =   895,   914,   919,   920,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 52 THY ZETA:  (52 DT C3')-(52 DT O3')-(53 DA P)-(53 DA O5') -130.0 -60.0
 &rst     iat =   914,   919,   920,   923,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 52 THY CHI:  (52 DT O4')-(52 DT C1')-(52 DT N1)-(52 DT C2) -160.0 -85.0
 &rst     iat =   897,   898,   900,   912,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 53 ADE ALPHA:  (52 DT O3')-(53 DA P)-(53 DA O5')-(53 DA C5') -90.0 -30.0
 &rst     iat =   919,   920,   923,   924,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 53 ADE BETA:  (53 DA P)-(53 DA O5')-(53 DA C5')-(53 DA C4') 150.0 210.0
 &rst     iat =   920,   923,   924,   927,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 53 ADE GAMMA:  (53 DA O5')-(53 DA C5')-(53 DA C4')-(53 DA C3')  25.0  95.0
 &rst     iat =   923,   924,   927,   946,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 53 ADE DELTA:  (53 DA C5')-(53 DA C4')-(53 DA C3')-(53 DA O3') 115.0 175.0
 &rst     iat =   924,   927,   946,   951,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 53 ADE EPSILN:  (53 DA C4')-(53 DA C3')-(53 DA O3')-(54 DT P) 150.0 300.0
 &rst     iat =   927,   946,   951,   952,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 53 ADE ZETA:  (53 DA C3')-(53 DA O3')-(54 DT P)-(54 DT O5') -130.0 -60.0
 &rst     iat =   946,   951,   952,   955,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 53 ADE CHI:  (53 DA O4')-(53 DA C1')-(53 DA N9)-(53 DA C4) -160.0 -85.0
 &rst     iat =   929,   930,   932,   945,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 54 THY ALPHA:  (53 DA O3')-(54 DT P)-(54 DT O5')-(54 DT C5') -90.0 -30.0
 &rst     iat =   951,   952,   955,   956,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 54 THY BETA:  (54 DT P)-(54 DT O5')-(54 DT C5')-(54 DT C4') 150.0 210.0
 &rst     iat =   952,   955,   956,   959,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 54 THY GAMMA:  (54 DT O5')-(54 DT C5')-(54 DT C4')-(54 DT C3')  25.0  95.0
 &rst     iat =   955,   956,   959,   978,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 54 THY DELTA:  (54 DT C5')-(54 DT C4')-(54 DT C3')-(54 DT O3') 115.0 175.0
 &rst     iat =   956,   959,   978,   983,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 54 THY EPSILN:  (54 DT C4')-(54 DT C3')-(54 DT O3')-(55 DA P) 150.0 300.0
 &rst     iat =   959,   978,   983,   984,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 54 THY ZETA:  (54 DT C3')-(54 DT O3')-(55 DA P)-(55 DA O5') -130.0 -60.0
 &rst     iat =   978,   983,   984,   987,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 54 THY CHI:  (54 DT O4')-(54 DT C1')-(54 DT N1)-(54 DT C2) -160.0 -85.0
 &rst     iat =   961,   962,   964,   976,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 55 ADE ALPHA:  (54 DT O3')-(55 DA P)-(55 DA O5')-(55 DA C5') -90.0 -30.0
 &rst     iat =   983,   984,   987,   988,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 55 ADE BETA:  (55 DA P)-(55 DA O5')-(55 DA C5')-(55 DA C4') 150.0 210.0
 &rst     iat =   984,   987,   988,   991,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 55 ADE GAMMA:  (55 DA O5')-(55 DA C5')-(55 DA C4')-(55 DA C3')  25.0  95.0
 &rst     iat =   987,   988,   991,  1010,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 55 ADE DELTA:  (55 DA C5')-(55 DA C4')-(55 DA C3')-(55 DA O3') 115.0 175.0
 &rst     iat =   988,   991,  1010,  1015,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 55 ADE EPSILN:  (55 DA C4')-(55 DA C3')-(55 DA O3')-(56 DT P) 150.0 300.0
 &rst     iat =   991,  1010,  1015,  1016,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 55 ADE ZETA:  (55 DA C3')-(55 DA O3')-(56 DT P)-(56 DT O5') -130.0 -60.0
 &rst     iat =  1010,  1015,  1016,  1019,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 55 ADE CHI:  (55 DA O4')-(55 DA C1')-(55 DA N9)-(55 DA C4) -160.0 -85.0
 &rst     iat =   993,   994,   996,  1009,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 56 THY ALPHA:  (55 DA O3')-(56 DT P)-(56 DT O5')-(56 DT C5') -90.0 -30.0
 &rst     iat =  1015,  1016,  1019,  1020,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 56 THY BETA:  (56 DT P)-(56 DT O5')-(56 DT C5')-(56 DT C4') 150.0 210.0
 &rst     iat =  1016,  1019,  1020,  1023,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 56 THY GAMMA:  (56 DT O5')-(56 DT C5')-(56 DT C4')-(56 DT C3')  25.0  95.0
 &rst     iat =  1019,  1020,  1023,  1042,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 56 THY DELTA:  (56 DT C5')-(56 DT C4')-(56 DT C3')-(56 DT O3') 115.0 175.0
 &rst     iat =  1020,  1023,  1042,  1047,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 56 THY EPSILN:  (56 DT C4')-(56 DT C3')-(56 DT O3')-(57 DG P) 150.0 300.0
 &rst     iat =  1023,  1042,  1047,  1048,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 56 THY ZETA:  (56 DT C3')-(56 DT O3')-(57 DG P)-(57 DG O5') -130.0 -60.0
 &rst     iat =  1042,  1047,  1048,  1051,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 56 THY CHI:  (56 DT O4')-(56 DT C1')-(56 DT N1)-(56 DT C2) -160.0 -85.0
 &rst     iat =  1025,  1026,  1028,  1040,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 57 GUA ALPHA:  (56 DT O3')-(57 DG P)-(57 DG O5')-(57 DG C5') -90.0 -30.0
 &rst     iat =  1047,  1048,  1051,  1052,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 57 GUA BETA:  (57 DG P)-(57 DG O5')-(57 DG C5')-(57 DG C4') 150.0 210.0
 &rst     iat =  1048,  1051,  1052,  1055,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 57 GUA GAMMA:  (57 DG O5')-(57 DG C5')-(57 DG C4')-(57 DG C3')  25.0  95.0
 &rst     iat =  1051,  1052,  1055,  1075,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 57 GUA DELTA:  (57 DG C5')-(57 DG C4')-(57 DG C3')-(57 DG O3') 115.0 175.0
 &rst     iat =  1052,  1055,  1075,  1080,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 57 GUA EPSILN:  (57 DG C4')-(57 DG C3')-(57 DG O3')-(58 DC P) 150.0 300.0
 &rst     iat =  1055,  1075,  1080,  1081,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 57 GUA ZETA:  (57 DG C3')-(57 DG O3')-(58 DC P)-(58 DC O5') -130.0 -60.0
 &rst     iat =  1075,  1080,  1081,  1084,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 57 GUA CHI:  (57 DG O4')-(57 DG C1')-(57 DG N9)-(57 DG C4) -160.0 -85.0
 &rst     iat =  1057,  1058,  1060,  1074,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 58 CYT ALPHA:  (57 DG O3')-(58 DC P)-(58 DC O5')-(58 DC C5') -90.0 -30.0
 &rst     iat =  1080,  1081,  1084,  1085,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 58 CYT BETA:  (58 DC P)-(58 DC O5')-(58 DC C5')-(58 DC C4') 150.0 210.0
 &rst     iat =  1081,  1084,  1085,  1088,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 58 CYT GAMMA:  (58 DC O5')-(58 DC C5')-(58 DC C4')-(58 DC C3')  25.0  95.0
 &rst     iat =  1084,  1085,  1088,  1105,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 58 CYT DELTA:  (58 DC C5')-(58 DC C4')-(58 DC C3')-(58 DC O3') 115.0 175.0
 &rst     iat =  1085,  1088,  1105,  1110,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 58 CYT EPSILN:  (58 DC C4')-(58 DC C3')-(58 DC O3')-(59 DG3 P) 150.0 300.0
 &rst     iat =  1088,  1105,  1110,  1111,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 58 CYT ZETA:  (58 DC C3')-(58 DC O3')-(59 DG3 P)-(59 DG3 O5') -130.0 -60.0
 &rst     iat =  1105,  1110,  1111,  1114,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 58 CYT CHI:  (58 DC O4')-(58 DC C1')-(58 DC N1)-(58 DC C2) -160.0 -85.0
 &rst     iat =  1090,  1091,  1093,  1103,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 59 GUA ALPHA:  (58 DC O3')-(59 DG3 P)-(59 DG3 O5')-(59 DG3 C5') -90.0 -30.0
 &rst     iat =  1110,  1111,  1114,  1115,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 59 GUA BETA:  (59 DG3 P)-(59 DG3 O5')-(59 DG3 C5')-(59 DG3 C4') 150.0 210.0
 &rst     iat =  1111,  1114,  1115,  1118,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 59 GUA GAMMA:  (59 DG3 O5')-(59 DG3 C5')-(59 DG3 C4')-(59 DG3 C3')  25.0  95.0
 &rst     iat =  1114,  1115,  1118,  1138,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 59 GUA DELTA:  (59 DG3 C5')-(59 DG3 C4')-(59 DG3 C3')-(59 DG3 O3')  80.0 175.0
 &rst     iat =  1115,  1118,  1138,  1143,
   r1 =  79.0, r2 =  80.0, r3 = 175.0, r4 = 176.0,
 &end

# 59 GUA CHI:  (59 DG3 O4')-(59 DG3 C1')-(59 DG3 N9)-(59 DG3 C4) -160.0 -85.0
 &rst     iat =  1120,  1121,  1123,  1137,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 60 CYT GAMMA:  (60 DC5 O5')-(60 DC5 C5')-(60 DC5 C4')-(60 DC5 C3')  25.0  95.0
 &rst     iat =  1146,  1147,  1150,  1167,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 60 CYT DELTA:  (60 DC5 C5')-(60 DC5 C4')-(60 DC5 C3')-(60 DC5 O3') 115.0 175.0
 &rst     iat =  1147,  1150,  1167,  1172,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 60 CYT EPSILN:  (60 DC5 C4')-(60 DC5 C3')-(60 DC5 O3')-(61 DG P) 150.0 300.0
 &rst     iat =  1150,  1167,  1172,  1173,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 60 CYT ZETA:  (60 DC5 C3')-(60 DC5 O3')-(61 DG P)-(61 DG O5') -130.0 -60.0
 &rst     iat =  1167,  1172,  1173,  1176,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 60 CYT CHI:  (60 DC5 O4')-(60 DC5 C1')-(60 DC5 N1)-(60 DC5 C2) -160.0 -85.0
 &rst     iat =  1152,  1153,  1155,  1165,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 61 GUA ALPHA:  (60 DC5 O3')-(61 DG P)-(61 DG O5')-(61 DG C5') -90.0 -30.0
 &rst     iat =  1172,  1173,  1176,  1177,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 61 GUA BETA:  (61 DG P)-(61 DG O5')-(61 DG C5')-(61 DG C4') 150.0 210.0
 &rst     iat =  1173,  1176,  1177,  1180,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 61 GUA GAMMA:  (61 DG O5')-(61 DG C5')-(61 DG C4')-(61 DG C3')  25.0  95.0
 &rst     iat =  1176,  1177,  1180,  1200,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 61 GUA DELTA:  (61 DG C5')-(61 DG C4')-(61 DG C3')-(61 DG O3') 115.0 175.0
 &rst     iat =  1177,  1180,  1200,  1205,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 61 GUA EPSILN:  (61 DG C4')-(61 DG C3')-(61 DG O3')-(62 DC P) 150.0 300.0
 &rst     iat =  1180,  1200,  1205,  1206,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 61 GUA ZETA:  (61 DG C3')-(61 DG O3')-(62 DC P)-(62 DC O5') -130.0 -60.0
 &rst     iat =  1200,  1205,  1206,  1209,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 61 GUA CHI:  (61 DG O4')-(61 DG C1')-(61 DG N9)-(61 DG C4) -160.0 -85.0
 &rst     iat =  1182,  1183,  1185,  1199,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 62 CYT ALPHA:  (61 DG O3')-(62 DC P)-(62 DC O5')-(62 DC C5') -90.0 -30.0
 &rst     iat =  1205,  1206,  1209,  1210,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 62 CYT BETA:  (62 DC P)-(62 DC O5')-(62 DC C5')-(62 DC C4') 150.0 210.0
 &rst     iat =  1206,  1209,  1210,  1213,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 62 CYT GAMMA:  (62 DC O5')-(62 DC C5')-(62 DC C4')-(62 DC C3')  25.0  95.0
 &rst     iat =  1209,  1210,  1213,  1230,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 62 CYT DELTA:  (62 DC C5')-(62 DC C4')-(62 DC C3')-(62 DC O3')  80.0 175.0
 &rst     iat =  1210,  1213,  1230,  1235,
   r1 =  79.0, r2 =  80.0, r3 = 175.0, r4 = 176.0,
 &end

# 62 CYT EPSILN:  (62 DC C4')-(62 DC C3')-(62 DC O3')-(63 DA P) 150.0 300.0
 &rst     iat =  1213,  1230,  1235,  1236,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 62 CYT ZETA:  (62 DC C3')-(62 DC O3')-(63 DA P)-(63 DA O5') -130.0 -60.0
 &rst     iat =  1230,  1235,  1236,  1239,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 62 CYT CHI:  (62 DC O4')-(62 DC C1')-(62 DC N1)-(62 DC C2) -160.0 -85.0
 &rst     iat =  1215,  1216,  1218,  1228,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 63 ADE ALPHA:  (62 DC O3')-(63 DA P)-(63 DA O5')-(63 DA C5') -90.0 -30.0
 &rst     iat =  1235,  1236,  1239,  1240,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 63 ADE BETA:  (63 DA P)-(63 DA O5')-(63 DA C5')-(63 DA C4') 150.0 210.0
 &rst     iat =  1236,  1239,  1240,  1243,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 63 ADE GAMMA:  (63 DA O5')-(63 DA C5')-(63 DA C4')-(63 DA C3')  25.0  95.0
 &rst     iat =  1239,  1240,  1243,  1262,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 63 ADE DELTA:  (63 DA C5')-(63 DA C4')-(63 DA C3')-(63 DA O3') 115.0 175.0
 &rst     iat =  1240,  1243,  1262,  1267,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 63 ADE EPSILN:  (63 DA C4')-(63 DA C3')-(63 DA O3')-(64 DT P) 150.0 300.0
 &rst     iat =  1243,  1262,  1267,  1268,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 63 ADE ZETA:  (63 DA C3')-(63 DA O3')-(64 DT P)-(64 DT O5') -130.0 -60.0
 &rst     iat =  1262,  1267,  1268,  1271,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 63 ADE CHI:  (63 DA O4')-(63 DA C1')-(63 DA N9)-(63 DA C4) -160.0 -85.0
 &rst     iat =  1245,  1246,  1248,  1261,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 64 THY ALPHA:  (63 DA O3')-(64 DT P)-(64 DT O5')-(64 DT C5') -90.0 -30.0
 &rst     iat =  1267,  1268,  1271,  1272,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 64 THY BETA:  (64 DT P)-(64 DT O5')-(64 DT C5')-(64 DT C4') 150.0 210.0
 &rst     iat =  1268,  1271,  1272,  1275,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 64 THY GAMMA:  (64 DT O5')-(64 DT C5')-(64 DT C4')-(64 DT C3')  25.0  95.0
 &rst     iat =  1271,  1272,  1275,  1294,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 64 THY DELTA:  (64 DT C5')-(64 DT C4')-(64 DT C3')-(64 DT O3') 115.0 175.0
 &rst     iat =  1272,  1275,  1294,  1299,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 64 THY EPSILN:  (64 DT C4')-(64 DT C3')-(64 DT O3')-(65 DA P) 150.0 300.0
 &rst     iat =  1275,  1294,  1299,  1300,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 64 THY ZETA:  (64 DT C3')-(64 DT O3')-(65 DA P)-(65 DA O5') -130.0 -60.0
 &rst     iat =  1294,  1299,  1300,  1303,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 64 THY CHI:  (64 DT O4')-(64 DT C1')-(64 DT N1)-(64 DT C2) -160.0 -85.0
 &rst     iat =  1277,  1278,  1280,  1292,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 65 ADE ALPHA:  (64 DT O3')-(65 DA P)-(65 DA O5')-(65 DA C5') -90.0 -30.0
 &rst     iat =  1299,  1300,  1303,  1304,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 65 ADE BETA:  (65 DA P)-(65 DA O5')-(65 DA C5')-(65 DA C4') 150.0 210.0
 &rst     iat =  1300,  1303,  1304,  1307,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 65 ADE GAMMA:  (65 DA O5')-(65 DA C5')-(65 DA C4')-(65 DA C3')  25.0  95.0
 &rst     iat =  1303,  1304,  1307,  1326,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 65 ADE DELTA:  (65 DA C5')-(65 DA C4')-(65 DA C3')-(65 DA O3') 115.0 175.0
 &rst     iat =  1304,  1307,  1326,  1331,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 65 ADE EPSILN:  (65 DA C4')-(65 DA C3')-(65 DA O3')-(66 DT P) 150.0 300.0
 &rst     iat =  1307,  1326,  1331,  1332,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 65 ADE ZETA:  (65 DA C3')-(65 DA O3')-(66 DT P)-(66 DT O5') -130.0 -60.0
 &rst     iat =  1326,  1331,  1332,  1335,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 65 ADE CHI:  (65 DA O4')-(65 DA C1')-(65 DA N9)-(65 DA C4) -160.0 -85.0
 &rst     iat =  1309,  1310,  1312,  1325,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 66 THY ALPHA:  (65 DA O3')-(66 DT P)-(66 DT O5')-(66 DT C5') -90.0 -30.0
 &rst     iat =  1331,  1332,  1335,  1336,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 66 THY BETA:  (66 DT P)-(66 DT O5')-(66 DT C5')-(66 DT C4') 150.0 210.0
 &rst     iat =  1332,  1335,  1336,  1339,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 66 THY GAMMA:  (66 DT O5')-(66 DT C5')-(66 DT C4')-(66 DT C3')  25.0  95.0
 &rst     iat =  1335,  1336,  1339,  1358,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 66 THY DELTA:  (66 DT C5')-(66 DT C4')-(66 DT C3')-(66 DT O3') 115.0 175.0
 &rst     iat =  1336,  1339,  1358,  1363,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 66 THY EPSILN:  (66 DT C4')-(66 DT C3')-(66 DT O3')-(67 DA P) 150.0 300.0
 &rst     iat =  1339,  1358,  1363,  1364,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 66 THY ZETA:  (66 DT C3')-(66 DT O3')-(67 DA P)-(67 DA O5') 150.0 210.0
 &rst     iat =  1358,  1363,  1364,  1367,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 66 THY CHI:  (66 DT O4')-(66 DT C1')-(66 DT N1)-(66 DT C2) -160.0 -85.0
 &rst     iat =  1341,  1342,  1344,  1356,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 67 ADE BETA:  (67 DA P)-(67 DA O5')-(67 DA C5')-(67 DA C4') 150.0 210.0
 &rst     iat =  1364,  1367,  1368,  1371,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 67 ADE DELTA:  (67 DA C5')-(67 DA C4')-(67 DA C3')-(67 DA O3') 115.0 175.0
 &rst     iat =  1368,  1371,  1390,  1395,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 67 ADE EPSILN:  (67 DA C4')-(67 DA C3')-(67 DA O3')-(68 DT P) 150.0 300.0
 &rst     iat =  1371,  1390,  1395,  1396,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 67 ADE ZETA:  (67 DA C3')-(67 DA O3')-(68 DT P)-(68 DT O5') -130.0 -60.0
 &rst     iat =  1390,  1395,  1396,  1399,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 67 ADE CHI:  (67 DA O4')-(67 DA C1')-(67 DA N9)-(67 DA C4) -160.0 -85.0
 &rst     iat =  1373,  1374,  1376,  1389,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 68 THY ALPHA:  (67 DA O3')-(68 DT P)-(68 DT O5')-(68 DT C5') -90.0 -30.0
 &rst     iat =  1395,  1396,  1399,  1400,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 68 THY BETA:  (68 DT P)-(68 DT O5')-(68 DT C5')-(68 DT C4') 150.0 210.0
 &rst     iat =  1396,  1399,  1400,  1403,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 68 THY GAMMA:  (68 DT O5')-(68 DT C5')-(68 DT C4')-(68 DT C3')  25.0  95.0
 &rst     iat =  1399,  1400,  1403,  1422,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 68 THY DELTA:  (68 DT C5')-(68 DT C4')-(68 DT C3')-(68 DT O3') 115.0 175.0
 &rst     iat =  1400,  1403,  1422,  1427,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 68 THY EPSILN:  (68 DT C4')-(68 DT C3')-(68 DT O3')-(69 DG P) 150.0 300.0
 &rst     iat =  1403,  1422,  1427,  1428,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 68 THY ZETA:  (68 DT C3')-(68 DT O3')-(69 DG P)-(69 DG O5') -130.0 -60.0
 &rst     iat =  1422,  1427,  1428,  1431,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 68 THY CHI:  (68 DT O4')-(68 DT C1')-(68 DT N1)-(68 DT C2) -160.0 -85.0
 &rst     iat =  1405,  1406,  1408,  1420,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 69 GUA ALPHA:  (68 DT O3')-(69 DG P)-(69 DG O5')-(69 DG C5') -90.0 -30.0
 &rst     iat =  1427,  1428,  1431,  1432,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 69 GUA BETA:  (69 DG P)-(69 DG O5')-(69 DG C5')-(69 DG C4') 150.0 210.0
 &rst     iat =  1428,  1431,  1432,  1435,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 69 GUA GAMMA:  (69 DG O5')-(69 DG C5')-(69 DG C4')-(69 DG C3')  25.0  95.0
 &rst     iat =  1431,  1432,  1435,  1455,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 69 GUA DELTA:  (69 DG C5')-(69 DG C4')-(69 DG C3')-(69 DG O3') 115.0 175.0
 &rst     iat =  1432,  1435,  1455,  1460,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 69 GUA EPSILN:  (69 DG C4')-(69 DG C3')-(69 DG O3')-(70 DC P) 150.0 300.0
 &rst     iat =  1435,  1455,  1460,  1461,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 69 GUA ZETA:  (69 DG C3')-(69 DG O3')-(70 DC P)-(70 DC O5') -130.0 -60.0
 &rst     iat =  1455,  1460,  1461,  1464,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 69 GUA CHI:  (69 DG O4')-(69 DG C1')-(69 DG N9)-(69 DG C4) -160.0 -85.0
 &rst     iat =  1437,  1438,  1440,  1454,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 70 CYT ALPHA:  (69 DG O3')-(70 DC P)-(70 DC O5')-(70 DC C5') -90.0 -30.0
 &rst     iat =  1460,  1461,  1464,  1465,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 70 CYT BETA:  (70 DC P)-(70 DC O5')-(70 DC C5')-(70 DC C4') 150.0 210.0
 &rst     iat =  1461,  1464,  1465,  1468,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 70 CYT GAMMA:  (70 DC O5')-(70 DC C5')-(70 DC C4')-(70 DC C3')  25.0  95.0
 &rst     iat =  1464,  1465,  1468,  1485,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 70 CYT DELTA:  (70 DC C5')-(70 DC C4')-(70 DC C3')-(70 DC O3') 115.0 175.0
 &rst     iat =  1465,  1468,  1485,  1490,
   r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
 &end

# 70 CYT EPSILN:  (70 DC C4')-(70 DC C3')-(70 DC O3')-(71 DG3 P) 150.0 300.0
 &rst     iat =  1468,  1485,  1490,  1491,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 70 CYT ZETA:  (70 DC C3')-(70 DC O3')-(71 DG3 P)-(71 DG3 O5') -130.0 -60.0
 &rst     iat =  1485,  1490,  1491,  1494,
   r1 = -131.0, r2 = -130.0, r3 = -60.0, r4 = -59.0,
 &end

# 70 CYT CHI:  (70 DC O4')-(70 DC C1')-(70 DC N1)-(70 DC C2) -160.0 -85.0
 &rst     iat =  1470,  1471,  1473,  1483,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end

# 71 GUA ALPHA:  (70 DC O3')-(71 DG3 P)-(71 DG3 O5')-(71 DG3 C5') -90.0 -30.0
 &rst     iat =  1490,  1491,  1494,  1495,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 71 GUA BETA:  (71 DG3 P)-(71 DG3 O5')-(71 DG3 C5')-(71 DG3 C4') 150.0 210.0
 &rst     iat =  1491,  1494,  1495,  1498,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 71 GUA GAMMA:  (71 DG3 O5')-(71 DG3 C5')-(71 DG3 C4')-(71 DG3 C3')  25.0  95.0
 &rst     iat =  1494,  1495,  1498,  1518,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 71 GUA DELTA:  (71 DG3 C5')-(71 DG3 C4')-(71 DG3 C3')-(71 DG3 O3')  80.0 175.0
 &rst     iat =  1495,  1498,  1518,  1523,
   r1 =  79.0, r2 =  80.0, r3 = 175.0, r4 = 176.0,
 &end

# 71 GUA CHI:  (71 DG3 O4')-(71 DG3 C1')-(71 DG3 N9)-(71 DG3 C4) -160.0 -85.0
 &rst     iat =  1500,  1501,  1503,  1517,
   r1 = -161.0, r2 = -160.0, r3 = -85.0, r4 = -84.0,
 &end#   62 CYT  H1'          63 ADE  H8          4.90    (#       1:90   5.07, 5.07 A)
 &rst
  ixpk= 1, nxpk= 90, iat=1217,1250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, 
      rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
 &end
#
#   50 CYT  H1'          51 ADE  H8          4.90    (#       1:90  AMB)
 &rst
  ixpk= 1, nxpk= 90, iat= 837, 870, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H5           62 CYT  H42         4.90    (#       2:90   2.49, 2.49 A)
 &rst
  ixpk= 2, nxpk= 90, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H5           50 CYT  H42         4.90    (#       2:90  AMB)
 &rst
  ixpk= 2, nxpk= 90, iat= 842, 846, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H5           48 CYT  H6          2.40    (#       3:90   2.40, 2.40 A)
 &rst
  ixpk= 3, nxpk= 90, iat= 779, 777, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   60 CYT  H5           60 CYT  H6          2.40    (#       3:90  AMB)
 &rst
  ixpk= 3, nxpk= 90, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   48 CYT  H1'          49 GUA  H8          4.90    (#       5:90   3.79, 3.79 A)
 &rst
  ixpk= 5, nxpk= 90, iat= 774, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H1'          61 GUA  H8          4.90    (#       5:90  AMB)
 &rst
  ixpk= 5, nxpk= 90, iat=1154,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H5           61 GUA  H8          4.90    (#       9:90   4.95, 4.95 A)
 &rst
  ixpk= 9, nxpk= 90, iat=1222,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H5           49 GUA  H8          4.90    (#       9:90  AMB)
 &rst
  ixpk= 9, nxpk= 90, iat= 842, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H1'          65 ADE  H8          4.90    (#      10:90   3.68, 3.68 A)
 &rst
  ixpk= 10, nxpk= 90, iat=1279,1314, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H1'          53 ADE  H8          4.90    (#      10:90  AMB)
 &rst
  ixpk= 10, nxpk= 90, iat= 899, 934, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H1'          67 ADE  H8          4.90    (#      11:90   3.77, 3.77 A)
 &rst
  ixpk= 11, nxpk= 90, iat=1375,1378, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H1'          55 ADE  H8          4.90    (#      11:90  AMB)
 &rst
  ixpk= 11, nxpk= 90, iat= 995, 998, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H1'          63 ADE  H2          6.00    (#      12:90   4.19, 4.19 A)
 &rst
  ixpk= 12, nxpk= 90, iat=1279,1259, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THY  H1'          51 ADE  H2          6.00    (#      12:90  AMB)
 &rst
  ixpk= 12, nxpk= 90, iat= 899, 879, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 THY  H1'          64 THY  H6          4.90    (#      13:90   3.63, 3.63 A)
 &rst
  ixpk= 13, nxpk= 90, iat=1279,1282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H1'          52 THY  H6          4.90    (#      13:90  AMB)
 &rst
  ixpk= 13, nxpk= 90, iat= 899, 902, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H1'          68 THY  H6          4.90    (#      14:90   3.96, 3.96 A)
 &rst
  ixpk= 14, nxpk= 90, iat=1375,1410, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H1'          56 THY  H6          4.90    (#      14:90  AMB)
 &rst
  ixpk= 14, nxpk= 90, iat= 995,1030, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H1'          64 THY  H6          4.90    (#      15:90   3.71, 3.71 A)
 &rst
  ixpk= 15, nxpk= 90, iat=1247,1282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H1'          52 THY  H6          4.90    (#      15:90  AMB)
 &rst
  ixpk= 15, nxpk= 90, iat= 867, 902, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H1'          63 ADE  H2          6.00    (#      16:90   4.30, 4.30 A)
 &rst
  ixpk= 16, nxpk= 90, iat=1247,1259, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H1'          51 ADE  H2          6.00    (#      16:90  AMB)
 &rst
  ixpk= 16, nxpk= 90, iat= 867, 879, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H41          50 CYT  H6          6.00    (#      17:90   5.32, 5.32 A)
 &rst
  ixpk= 17, nxpk= 90, iat= 845, 840, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H41          62 CYT  H6          6.00    (#      17:90  AMB)
 &rst
  ixpk= 17, nxpk= 90, iat=1225,1220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 ADE  H1'          54 THY  H6          4.90    (#      18:90   4.08, 4.08 A)
 &rst
  ixpk= 18, nxpk= 90, iat= 931, 966, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H1'          66 THY  H6          4.90    (#      18:90  AMB)
 &rst
  ixpk= 18, nxpk= 90, iat=1311,1346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H1'          67 ADE  H8          6.00    (#      19:90   2.51, 2.51 A)
 &rst
  ixpk= 19, nxpk= 90, iat=1343,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 THY  H1'          55 ADE  H8          6.00    (#      19:90  AMB)
 &rst
  ixpk= 19, nxpk= 90, iat= 963, 998, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ADE  H1'          53 ADE  H2          6.00    (#      20:90   3.00, 3.00 A)
 &rst
  ixpk= 20, nxpk= 90, iat=1375, 943, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 ADE  H1'          53 ADE  H2          6.00    (#      20:90  AMB)
 &rst
  ixpk= 20, nxpk= 90, iat= 931, 943, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ADE  H1'          65 ADE  H2          6.00    (#      20:90  AMB)
 &rst
  ixpk= 20, nxpk= 90, iat= 995,1323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 ADE  H1'          65 ADE  H2          6.00    (#      20:90  AMB)
 &rst
  ixpk= 20, nxpk= 90, iat=1311,1323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H1'          66 THY  H6          4.90    (#      21:90   3.68, 3.68 A)
 &rst
  ixpk= 21, nxpk= 90, iat=1343,1346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H1'          54 THY  H6          4.90    (#      21:90  AMB)
 &rst
  ixpk= 21, nxpk= 90, iat= 963, 966, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H5           62 CYT  H6          2.60    (#      23:90   2.42, 2.42 A)
 &rst
  ixpk= 23, nxpk= 90, iat=1222,1220, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   50 CYT  H5           50 CYT  H6          2.60    (#      23:90  AMB)
 &rst
  ixpk= 23, nxpk= 90, iat= 842, 840, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   49 GUA  H1'          50 CYT  H6          3.50    (#      24:90   3.12, 3.12 A)
 &rst
  ixpk= 24, nxpk= 90, iat= 804, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H1'          62 CYT  H6          3.50    (#      24:90  AMB)
 &rst
  ixpk= 24, nxpk= 90, iat=1184,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H6           49 GUA  H8          4.90    (#      25:90   4.89, 4.89 A)
 &rst
  ixpk= 25, nxpk= 90, iat= 777, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H6           61 GUA  H8          4.90    (#      25:90  AMB)
 &rst
  ixpk= 25, nxpk= 90, iat=1157,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H8           48 CYT  H6          6.00    (#      26:90   4.89, 4.89 A)
 &rst
  ixpk= 26, nxpk= 90, iat= 807, 777, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H8           60 CYT  H6          6.00    (#      26:90  AMB)
 &rst
  ixpk= 26, nxpk= 90, iat=1187,1157, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H6           61 GUA  H8          4.90    (#      28:90   5.46, 5.46 A)
 &rst
  ixpk= 28, nxpk= 90, iat=1220,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H6           49 GUA  H8          4.90    (#      28:90  AMB)
 &rst
  ixpk= 28, nxpk= 90, iat= 840, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H6           63 ADE  H8          6.00    (#      29:90   5.33, 5.33 A)
 &rst
  ixpk= 29, nxpk= 90, iat=1220,1250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H6           51 ADE  H8          6.00    (#      29:90  AMB)
 &rst
  ixpk= 29, nxpk= 90, iat= 840, 870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H8           50 CYT  H6          4.90    (#      30:90   4.98, 4.98 A)
 &rst
  ixpk= 30, nxpk= 90, iat= 807, 840, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 GUA  H8           62 CYT  H6          4.90    (#      30:90  AMB)
 &rst
  ixpk= 30, nxpk= 90, iat=1187,1220, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H42          62 CYT  H6          6.00    (#      31:90   4.66, 4.66 A)
 &rst
  ixpk= 31, nxpk= 90, iat=1226,1220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H42          50 CYT  H6          6.00    (#      31:90  AMB)
 &rst
  ixpk= 31, nxpk= 90, iat= 846, 840, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H8           52 THY  H6          4.90    (#      33:90   4.70, 4.70 A)
 &rst
  ixpk= 33, nxpk= 90, iat= 870, 902, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H8           64 THY  H6          4.90    (#      33:90  AMB)
 &rst
  ixpk= 33, nxpk= 90, iat=1250,1282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H8           54 THY  H6          4.90    (#      34:90   5.38, 5.38 A)
 &rst
  ixpk= 34, nxpk= 90, iat= 998, 966, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H8           66 THY  H6          4.90    (#      34:90  AMB)
 &rst
  ixpk= 34, nxpk= 90, iat=1378,1346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H6           51 ADE  H8          4.90    (#      35:90   4.70, 4.70 A)
 &rst
  ixpk= 35, nxpk= 90, iat= 902, 870, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H6           63 ADE  H8          4.90    (#      35:90  AMB)
 &rst
  ixpk= 35, nxpk= 90, iat=1282,1250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H6           67 ADE  H8          4.90    (#      36:90   4.47, 4.47 A)
 &rst
  ixpk= 36, nxpk= 90, iat=1346,1378, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H6           55 ADE  H8          4.90    (#      36:90  AMB)
 &rst
  ixpk= 36, nxpk= 90, iat= 966, 998, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   57 GUA  H8           56 THY  H6          6.00    (#      37:90   4.20, 4.20 A)
 &rst
  ixpk= 37, nxpk= 90, iat=1062,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H8           68 THY  H6          6.00    (#      37:90  AMB)
 &rst
  ixpk= 37, nxpk= 90, iat=1442,1410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H6           69 GUA  H8          4.90    (#      38:90   5.10, 5.10 A)
 &rst
  ixpk= 38, nxpk= 90, iat=1410,1442, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H6           57 GUA  H8          4.90    (#      38:90  AMB)
 &rst
  ixpk= 38, nxpk= 90, iat=1030,1062, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H8           56 THY  H6          6.00    (#      39:90   5.35, 5.35 A)
 &rst
  ixpk= 39, nxpk= 90, iat= 998,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ADE  H8           68 THY  H6          6.00    (#      39:90  AMB)
 &rst
  ixpk= 39, nxpk= 90, iat=1378,1410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H6           57 GUA  H8          6.00    (#      40:90   6.27, 6.27 A)
 &rst
  ixpk= 40, nxpk= 90, iat=1095,1062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H6           69 GUA  H8          6.00    (#      40:90  AMB)
 &rst
  ixpk= 40, nxpk= 90, iat=1475,1442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H8           58 CYT  H6          6.00    (#      42:90   6.27, 6.27 A)
 &rst
  ixpk= 42, nxpk= 90, iat=1062,1095, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H8           70 CYT  H6          6.00    (#      42:90  AMB)
 &rst
  ixpk= 42, nxpk= 90, iat=1442,1475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H6           59 GUA  H8          6.00    (#      45:90   4.81, 4.81 A)
 &rst
  ixpk= 45, nxpk= 90, iat=1095,1125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H6           71 GUA  H8          6.00    (#      45:90  AMB)
 &rst
  ixpk= 45, nxpk= 90, iat=1475,1505, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H6           67 ADE  H8          6.00    (#      48:90   5.05, 5.05 A)
 &rst
  ixpk= 48, nxpk= 90, iat=1410,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 THY  H6           55 ADE  H8          6.00    (#      48:90  AMB)
 &rst
  ixpk= 48, nxpk= 90, iat=1030, 998, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H1'          68 THY  H6          4.90    (#      52:90   3.64, 3.64 A)
 &rst
  ixpk= 52, nxpk= 90, iat=1407,1410, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H1'          56 THY  H6          4.90    (#      52:90  AMB)
 &rst
  ixpk= 52, nxpk= 90, iat=1027,1030, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H5           57 GUA  H8          4.90    (#      54:90   5.11, 5.11 A)
 &rst
  ixpk= 54, nxpk= 90, iat=1097,1062, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H5           69 GUA  H8          4.90    (#      54:90  AMB)
 &rst
  ixpk= 54, nxpk= 90, iat=1477,1442, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H1'          69 GUA  H8          4.90    (#      56:90   3.72, 3.72 A)
 &rst
  ixpk= 56, nxpk= 90, iat=1407,1442, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H1'          57 GUA  H8          4.90    (#      56:90  AMB)
 &rst
  ixpk= 56, nxpk= 90, iat=1027,1062, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H5           58 CYT  H6          2.60    (#      57:90   2.40, 2.40 A)
 &rst
  ixpk= 57, nxpk= 90, iat=1097,1095, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   70 CYT  H5           70 CYT  H6          2.60    (#      57:90  AMB)
 &rst
  ixpk= 57, nxpk= 90, iat=1477,1475, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   58 CYT  H41          58 CYT  H6          6.00    (#      58:90   5.32, 5.32 A)
 &rst
  ixpk= 58, nxpk= 90, iat=1100,1095, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H41          70 CYT  H6          6.00    (#      58:90  AMB)
 &rst
  ixpk= 58, nxpk= 90, iat=1480,1475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           58 CYT  H42         4.90    (#      59:90   2.40, 2.40 A)
 &rst
  ixpk= 59, nxpk= 90, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H5           70 CYT  H42         4.90    (#      59:90  AMB)
 &rst
  ixpk= 59, nxpk= 90, iat=1477,1481, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H3'          60 CYT  H6          4.90    (#      61:90   4.28, 4.28 A)
 &rst
  ixpk= 61, nxpk= 90, iat=1168,1157, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H3'          48 CYT  H6          4.90    (#      61:90  AMB)
 &rst
  ixpk= 61, nxpk= 90, iat= 788, 777, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H3'          61 GUA  H8          4.90    (#      63:90   4.58, 4.58 A)
 &rst
  ixpk= 63, nxpk= 90, iat=1168,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H3'          49 GUA  H8          4.90    (#      63:90  AMB)
 &rst
  ixpk= 63, nxpk= 90, iat= 788, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 GUA  H3'          61 GUA  H8          4.90    (#      64:90   4.35, 4.35 A)
 &rst
  ixpk= 64, nxpk= 90, iat=1201,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H3'          49 GUA  H8          4.90    (#      64:90  AMB)
 &rst
  ixpk= 64, nxpk= 90, iat= 821, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H3'          52 THY  H6          4.90    (#      65:90   4.66, 4.66 A)
 &rst
  ixpk= 65, nxpk= 90, iat= 883, 902, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H3'          64 THY  H6          4.90    (#      65:90  AMB)
 &rst
  ixpk= 65, nxpk= 90, iat=1263,1282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H3'          62 CYT  H6          3.50    (#      66:90   2.90, 2.90 A)
 &rst
  ixpk= 66, nxpk= 90, iat=1231,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H3'          50 CYT  H6          3.50    (#      66:90  AMB)
 &rst
  ixpk= 66, nxpk= 90, iat= 851, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H3'          62 CYT  H6          4.90    (#      67:90   5.06, 5.06 A)
 &rst
  ixpk= 67, nxpk= 90, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H3'          50 CYT  H6          4.90    (#      67:90  AMB)
 &rst
  ixpk= 67, nxpk= 90, iat= 821, 840, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H3'          63 ADE  H8          4.90    (#      68:90   3.84, 3.84 A)
 &rst
  ixpk= 68, nxpk= 90, iat=1231,1250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H3'          51 ADE  H8          4.90    (#      68:90  AMB)
 &rst
  ixpk= 68, nxpk= 90, iat= 851, 870, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H3'          64 THY  H6          4.90    (#      71:90   4.33, 4.33 A)
 &rst
  ixpk= 71, nxpk= 90, iat=1295,1282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H3'          52 THY  H6          4.90    (#      71:90  AMB)
 &rst
  ixpk= 71, nxpk= 90, iat= 915, 902, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H3'          66 THY  H6          4.90    (#      71:90  AMB)
 &rst
  ixpk= 71, nxpk= 90, iat=1359,1346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H3'          54 THY  H6          4.90    (#      71:90  AMB)
 &rst
  ixpk= 71, nxpk= 90, iat= 979, 966, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H3'          67 ADE  H8          4.90    (#      72:90   4.93, 4.93 A)
 &rst
  ixpk= 72, nxpk= 90, iat=1359,1378, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H3'          55 ADE  H8          4.90    (#      72:90  AMB)
 &rst
  ixpk= 72, nxpk= 90, iat= 979, 998, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H3'          55 ADE  H8          4.90    (#      73:90   4.43, 4.43 A)
 &rst
  ixpk= 73, nxpk= 90, iat=1011, 998, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H3'          67 ADE  H8          4.90    (#      73:90  AMB)
 &rst
  ixpk= 73, nxpk= 90, iat=1391,1378, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H3'          54 THY  H6          4.90    (#      74:90   5.27, 5.27 A)
 &rst
  ixpk= 74, nxpk= 90, iat= 947, 966, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H3'          66 THY  H6          4.90    (#      74:90  AMB)
 &rst
  ixpk= 74, nxpk= 90, iat=1327,1346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H3'          69 GUA  H8          4.90    (#      75:90   4.83, 4.83 A)
 &rst
  ixpk= 75, nxpk= 90, iat=1423,1442, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H3'          57 GUA  H8          4.90    (#      75:90  AMB)
 &rst
  ixpk= 75, nxpk= 90, iat=1043,1062, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H3'          56 THY  H6          4.90    (#      76:90   5.49, 5.49 A)
 &rst
  ixpk= 76, nxpk= 90, iat=1011,1030, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H3'          68 THY  H6          4.90    (#      76:90  AMB)
 &rst
  ixpk= 76, nxpk= 90, iat=1391,1410, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H3'          68 THY  H6          4.90    (#      77:90   4.09, 4.09 A)
 &rst
  ixpk= 77, nxpk= 90, iat=1423,1410, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H3'          56 THY  H6          4.90    (#      77:90  AMB)
 &rst
  ixpk= 77, nxpk= 90, iat=1043,1030, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   69 GUA  H3'          69 GUA  H8          4.90    (#      78:90   4.22, 4.22 A)
 &rst
  ixpk= 78, nxpk= 90, iat=1456,1442, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   57 GUA  H3'          57 GUA  H8          4.90    (#      78:90  AMB)
 &rst
  ixpk= 78, nxpk= 90, iat=1076,1062, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   69 GUA  H3'          70 CYT  H6          4.90    (#      79:90   4.20, 4.20 A)
 &rst
  ixpk= 79, nxpk= 90, iat=1456,1475, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   57 GUA  H3'          58 CYT  H6          4.90    (#      79:90  AMB)
 &rst
  ixpk= 79, nxpk= 90, iat=1076,1095, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H3'          71 GUA  H8          3.50    (#      82:90   3.47, 3.47 A)
 &rst
  ixpk= 82, nxpk= 90, iat=1519,1505, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H3'          59 GUA  H8          3.50    (#      82:90  AMB)
 &rst
  ixpk= 82, nxpk= 90, iat=1139,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H2'          60 CYT  H6          3.50    (#      83:90   2.22, 2.22 A)
 &rst
  ixpk= 83, nxpk= 90, iat=1170,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H2'          48 CYT  H6          3.50    (#      83:90  AMB)
 &rst
  ixpk= 83, nxpk= 90, iat= 790, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H2''         48 CYT  H6          3.50    (#      84:90   3.63, 3.63 A)
 &rst
  ixpk= 84, nxpk= 90, iat= 791, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H2''         60 CYT  H6          3.50    (#      84:90  AMB)
 &rst
  ixpk= 84, nxpk= 90, iat=1171,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H2'          61 GUA  H8          4.90    (#      85:90   4.53, 4.53 A)
 &rst
  ixpk= 85, nxpk= 90, iat=1170,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H2'          49 GUA  H8          4.90    (#      85:90  AMB)
 &rst
  ixpk= 85, nxpk= 90, iat= 790, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H2''         49 GUA  H8          2.60    (#      86:90   2.25, 2.25 A)
 &rst
  ixpk= 86, nxpk= 90, iat= 791, 807, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   60 CYT  H2''         61 GUA  H8          2.60    (#      86:90  AMB)
 &rst
  ixpk= 86, nxpk= 90, iat=1171,1187, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   49 GUA  H2'          49 GUA  H8          2.40    (#      87:90   2.17, 2.17 A)
 &rst
  ixpk= 87, nxpk= 90, iat= 823, 807, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   61 GUA  H2'          61 GUA  H8          2.40    (#      87:90  AMB)
 &rst
  ixpk= 87, nxpk= 90, iat=1203,1187, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   61 GUA  H2''         61 GUA  H8          3.50    (#      88:90   2.90, 2.90 A)
 &rst
  ixpk= 88, nxpk= 90, iat=1204,1187, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H2''         49 GUA  H8          3.50    (#      88:90  AMB)
 &rst
  ixpk= 88, nxpk= 90, iat= 824, 807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H2'          50 CYT  H6          3.50    (#      89:90   2.67, 2.67 A)
 &rst
  ixpk= 89, nxpk= 90, iat= 853, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H2'          62 CYT  H6          3.50    (#      89:90  AMB)
 &rst
  ixpk= 89, nxpk= 90, iat=1233,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H2'          50 CYT  H6          4.90    (#      91:90   4.24, 4.24 A)
 &rst
  ixpk= 91, nxpk= 90, iat= 823, 840, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 GUA  H2'          62 CYT  H6          4.90    (#      91:90  AMB)
 &rst
  ixpk= 91, nxpk= 90, iat=1203,1220, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 GUA  H2''         62 CYT  H6          4.90    (#      92:90   3.02, 3.02 A)
 &rst
  ixpk= 92, nxpk= 90, iat=1204,1220, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H2''         50 CYT  H6          4.90    (#      92:90  AMB)
 &rst
  ixpk= 92, nxpk= 90, iat= 824, 840, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H2'          51 ADE  H8          4.90    (#      93:90   2.35, 2.35 A)
 &rst
  ixpk= 93, nxpk= 90, iat= 853, 870, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H2'          63 ADE  H8          4.90    (#      93:90  AMB)
 &rst
  ixpk= 93, nxpk= 90, iat=1233,1250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H2''         63 ADE  H8          3.50    (#      94:90   3.57, 3.57 A)
 &rst
  ixpk= 94, nxpk= 90, iat=1234,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H2''         51 ADE  H8          3.50    (#      94:90  AMB)
 &rst
  ixpk= 94, nxpk= 90, iat= 854, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H2'          51 ADE  H8          3.50    (#      95:90   2.57, 2.57 A)
 &rst
  ixpk= 95, nxpk= 90, iat= 885, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H2'          63 ADE  H8          3.50    (#      95:90  AMB)
 &rst
  ixpk= 95, nxpk= 90, iat=1265,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H2''         63 ADE  H8          3.50    (#      96:90   3.50, 3.50 A)
 &rst
  ixpk= 96, nxpk= 90, iat=1266,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H2''         51 ADE  H8          3.50    (#      96:90  AMB)
 &rst
  ixpk= 96, nxpk= 90, iat= 886, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H2''         64 THY  H6          4.90    (#      97:90   2.43, 2.43 A)
 &rst
  ixpk= 97, nxpk= 90, iat=1266,1282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H2''         52 THY  H6          4.90    (#      97:90  AMB)
 &rst
  ixpk= 97, nxpk= 90, iat= 886, 902, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H2'          52 THY  H6          3.50    (#      98:90   2.75, 2.75 A)
 &rst
  ixpk= 98, nxpk= 90, iat= 885, 902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H2'          64 THY  H6          3.50    (#      98:90  AMB)
 &rst
  ixpk= 98, nxpk= 90, iat=1265,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THY  H2''         66 THY  H6          3.50    (#      99:90   3.53, 3.53 A)
 &rst
  ixpk= 99, nxpk= 90, iat=1362,1346, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 THY  H2''         64 THY  H6          3.50    (#      99:90  AMB)
 &rst
  ixpk= 99, nxpk= 90, iat=1298,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H2''         52 THY  H6          3.50    (#      99:90  AMB)
 &rst
  ixpk= 99, nxpk= 90, iat= 918, 902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H2''         54 THY  H6          3.50    (#      99:90  AMB)
 &rst
  ixpk= 99, nxpk= 90, iat= 982, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H2'          52 THY  H6          3.50    (#     100:90   2.60, 2.60 A)
 &rst
  ixpk= 100, nxpk= 90, iat= 917, 902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 THY  H2'          64 THY  H6          3.50    (#     100:90  AMB)
 &rst
  ixpk= 100, nxpk= 90, iat=1297,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H2'          53 ADE  H8          4.90    (#     101:90   3.14, 3.14 A)
 &rst
  ixpk= 101, nxpk= 90, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H2'          65 ADE  H8          4.90    (#     101:90  AMB)
 &rst
  ixpk= 101, nxpk= 90, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H2''         67 ADE  H8          3.50    (#     102:90   1.99, 1.99 A)
 &rst
  ixpk= 102, nxpk= 90, iat=1362,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H2''         55 ADE  H8          3.50    (#     102:90  AMB)
 &rst
  ixpk= 102, nxpk= 90, iat= 982, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ADE  H2'          67 ADE  H8          3.50    (#     104:90   3.57, 3.57 A)
 &rst
  ixpk= 104, nxpk= 90, iat=1393,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ADE  H2'          55 ADE  H8          3.50    (#     104:90  AMB)
 &rst
  ixpk= 104, nxpk= 90, iat=1013, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H2''         54 THY  H6          4.90    (#     105:90   2.91, 2.91 A)
 &rst
  ixpk= 105, nxpk= 90, iat= 950, 966, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H2''         66 THY  H6          4.90    (#     105:90  AMB)
 &rst
  ixpk= 105, nxpk= 90, iat=1330,1346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H2'          66 THY  H6          3.50    (#     106:90   2.04, 2.04 A)
 &rst
  ixpk= 106, nxpk= 90, iat=1329,1346, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H2'          54 THY  H6          3.50    (#     106:90  AMB)
 &rst
  ixpk= 106, nxpk= 90, iat= 949, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H2'          55 ADE  H8          4.90    (#     107:90   2.68, 2.68 A)
 &rst
  ixpk= 107, nxpk= 90, iat= 981, 998, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H2'          67 ADE  H8          4.90    (#     107:90  AMB)
 &rst
  ixpk= 107, nxpk= 90, iat=1361,1378, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H2'          68 THY  H6          4.90    (#     108:90   1.88, 1.88 A)
 &rst
  ixpk= 108, nxpk= 90, iat=1393,1410, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H2'          56 THY  H6          4.90    (#     108:90  AMB)
 &rst
  ixpk= 108, nxpk= 90, iat=1013,1030, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H2''         68 THY  H6          4.90    (#     109:90   2.26, 2.26 A)
 &rst
  ixpk= 109, nxpk= 90, iat=1394,1410, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H2''         56 THY  H6          4.90    (#     109:90  AMB)
 &rst
  ixpk= 109, nxpk= 90, iat=1014,1030, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H2'          68 THY  H6          3.50    (#     110:90   2.27, 2.27 A)
 &rst
  ixpk= 110, nxpk= 90, iat=1425,1410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 THY  H2'          56 THY  H6          3.50    (#     110:90  AMB)
 &rst
  ixpk= 110, nxpk= 90, iat=1045,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 THY  H2''         56 THY  H6          3.50    (#     111:90   3.48, 3.48 A)
 &rst
  ixpk= 111, nxpk= 90, iat=1046,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 THY  H2''         68 THY  H6          3.50    (#     111:90  AMB)
 &rst
  ixpk= 111, nxpk= 90, iat=1426,1410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 THY  H2'          69 GUA  H8          4.90    (#     112:90   3.70, 3.70 A)
 &rst
  ixpk= 112, nxpk= 90, iat=1425,1442, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H2'          57 GUA  H8          4.90    (#     112:90  AMB)
 &rst
  ixpk= 112, nxpk= 90, iat=1045,1062, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H2''         57 GUA  H8          3.50    (#     113:90   2.90, 2.90 A)
 &rst
  ixpk= 113, nxpk= 90, iat=1046,1062, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 THY  H2''         69 GUA  H8          3.50    (#     113:90  AMB)
 &rst
  ixpk= 113, nxpk= 90, iat=1426,1442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H2'          69 GUA  H8          3.50    (#     114:90   2.73, 2.73 A)
 &rst
  ixpk= 114, nxpk= 90, iat=1458,1442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H2'          57 GUA  H8          3.50    (#     114:90  AMB)
 &rst
  ixpk= 114, nxpk= 90, iat=1078,1062, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H2''         57 GUA  H8          3.50    (#     115:90   3.24, 3.24 A)
 &rst
  ixpk= 115, nxpk= 90, iat=1079,1062, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H2''         69 GUA  H8          3.50    (#     115:90  AMB)
 &rst
  ixpk= 115, nxpk= 90, iat=1459,1442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H2'          70 CYT  H6          4.90    (#     116:90   3.11, 3.11 A)
 &rst
  ixpk= 116, nxpk= 90, iat=1458,1475, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   57 GUA  H2'          58 CYT  H6          4.90    (#     116:90  AMB)
 &rst
  ixpk= 116, nxpk= 90, iat=1078,1095, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   57 GUA  H2''         58 CYT  H6          3.50    (#     117:90   3.36, 3.36 A)
 &rst
  ixpk= 117, nxpk= 90, iat=1079,1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H2''         70 CYT  H6          3.50    (#     117:90  AMB)
 &rst
  ixpk= 117, nxpk= 90, iat=1459,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H2''         58 CYT  H6          3.50    (#     118:90   3.58, 3.58 A)
 &rst
  ixpk= 118, nxpk= 90, iat=1109,1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H2''         70 CYT  H6          3.50    (#     118:90  AMB)
 &rst
  ixpk= 118, nxpk= 90, iat=1489,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H2'          70 CYT  H6          2.60    (#     119:90   2.34, 2.34 A)
 &rst
  ixpk= 119, nxpk= 90, iat=1488,1475, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   58 CYT  H2'          58 CYT  H6          2.60    (#     119:90  AMB)
 &rst
  ixpk= 119, nxpk= 90, iat=1108,1095, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   70 CYT  H2'          71 GUA  H8          4.90    (#     120:90   2.72, 2.72 A)
 &rst
  ixpk= 120, nxpk= 90, iat=1488,1505, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H2'          59 GUA  H8          4.90    (#     120:90  AMB)
 &rst
  ixpk= 120, nxpk= 90, iat=1108,1125, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H2''         59 GUA  H8          2.60    (#     121:90   2.91, 2.91 A)
 &rst
  ixpk= 121, nxpk= 90, iat=1109,1125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   70 CYT  H2''         71 GUA  H8          2.60    (#     121:90  AMB)
 &rst
  ixpk= 121, nxpk= 90, iat=1489,1505, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   59 GUA  H2'          59 GUA  H8          2.60    (#     122:90   2.45, 2.45 A)
 &rst
  ixpk= 122, nxpk= 90, iat=1141,1125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   71 GUA  H2'          71 GUA  H8          2.60    (#     122:90  AMB)
 &rst
  ixpk= 122, nxpk= 90, iat=1521,1505, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   71 GUA  H2''         71 GUA  H8          4.90    (#     123:90   4.37, 4.37 A)
 &rst
  ixpk= 123, nxpk= 90, iat=1522,1505, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   59 GUA  H2''         59 GUA  H8          4.90    (#     123:90  AMB)
 &rst
  ixpk= 123, nxpk= 90, iat=1142,1125, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H7           51 ADE  H8          3.50    (#     124:90   2.82, 3.77 A)
 &rst
  ixpk= 124, nxpk= 90, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           63 ADE  H8          3.50    (#     124:90  AMB)
 &rst
  ixpk= 124, nxpk= 90, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1285,1286,1287,
 &end
#
#   52 THY  H7           52 THY  H6          2.60    (#     125:90   2.66, 3.02 A)
 &rst
  ixpk= 125, nxpk= 90, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           64 THY  H6          2.60    (#     125:90  AMB)
 &rst
  ixpk= 125, nxpk= 90, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=1285,1286,1287,
 &end
#
#   54 THY  H7           53 ADE  H8          3.50    (#     126:90   2.83, 3.82 A)
 &rst
  ixpk= 126, nxpk= 90, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           65 ADE  H8          3.50    (#     126:90  AMB)
 &rst
  ixpk= 126, nxpk= 90, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1349,1350,1351,
 &end
#
#   54 THY  H7           54 THY  H6          2.60    (#     127:90   2.67, 3.02 A)
 &rst
  ixpk= 127, nxpk= 90, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           66 THY  H6          2.60    (#     127:90  AMB)
 &rst
  ixpk= 127, nxpk= 90, iat=  -1,1346, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=1349,1350,1351,
 &end
#
#   68 THY  H7           67 ADE  H8          3.50    (#     128:90   2.84, 3.71 A)
 &rst
  ixpk= 128, nxpk= 90, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           55 ADE  H8          3.50    (#     128:90  AMB)
 &rst
  ixpk= 128, nxpk= 90, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1033,1034,1035,
 &end
#
#   68 THY  H7           68 THY  H6          3.50    (#     129:90   2.71, 3.05 A)
 &rst
  ixpk= 129, nxpk= 90, iat=  -1,1410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           56 THY  H6          3.50    (#     129:90  AMB)
 &rst
  ixpk= 129, nxpk= 90, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1033,1034,1035,
 &end
#
#   56 THY  H7           57 GUA  H8          6.00    (#     130:90   5.23, 6.09 A)
 &rst
  ixpk= 130, nxpk= 90, iat=  -1,1062, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1033,1034,1035,
 &end
#
#   48 CYT  H6           48 CYT  H5          2.40    (#     131:90   2.40, 2.40 A)
 &rst
  ixpk= 131, nxpk= 90, iat= 777, 779, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   60 CYT  H6           60 CYT  H5          2.40    (#     131:90  AMB)
 &rst
  ixpk= 131, nxpk= 90, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   49 GUA  H8           48 CYT  H1'         3.50    (#     133:90   3.79, 3.79 A)
 &rst
  ixpk= 133, nxpk= 90, iat= 807, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H8           60 CYT  H1'         3.50    (#     133:90  AMB)
 &rst
  ixpk= 133, nxpk= 90, iat=1187,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H6           61 GUA  H1'         3.50    (#     137:90   4.07, 4.07 A)
 &rst
  ixpk= 137, nxpk= 90, iat=1220,1184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H6           49 GUA  H1'         3.50    (#     137:90  AMB)
 &rst
  ixpk= 137, nxpk= 90, iat= 840, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H8           50 CYT  H5          6.00    (#     139:90   4.00, 4.00 A)
 &rst
  ixpk= 139, nxpk= 90, iat= 807, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H8           62 CYT  H5          6.00    (#     139:90  AMB)
 &rst
  ixpk= 139, nxpk= 90, iat=1187,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H6           62 CYT  H41         6.00    (#     141:90   5.34, 5.34 A)
 &rst
  ixpk= 141, nxpk= 90, iat=1220,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H6           50 CYT  H41         6.00    (#     141:90  AMB)
 &rst
  ixpk= 141, nxpk= 90, iat= 840, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H6           62 CYT  H1'         4.90    (#     142:90   3.68, 3.68 A)
 &rst
  ixpk= 142, nxpk= 90, iat=1220,1217, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H6           50 CYT  H1'         4.90    (#     142:90  AMB)
 &rst
  ixpk= 142, nxpk= 90, iat= 840, 837, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H6           62 CYT  H5          3.50    (#     143:90   2.42, 2.42 A)
 &rst
  ixpk= 143, nxpk= 90, iat=1220,1222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H6           50 CYT  H5          3.50    (#     143:90  AMB)
 &rst
  ixpk= 143, nxpk= 90, iat= 840, 842, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H8           50 CYT  H1'         4.90    (#     144:90   4.29, 4.29 A)
 &rst
  ixpk= 144, nxpk= 90, iat= 870, 837, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H8           62 CYT  H1'         4.90    (#     144:90  AMB)
 &rst
  ixpk= 144, nxpk= 90, iat=1250,1217, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H6           51 ADE  H1'         4.90    (#     146:90   3.79, 3.79 A)
 &rst
  ixpk= 146, nxpk= 90, iat= 902, 867, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H6           63 ADE  H1'         4.90    (#     146:90  AMB)
 &rst
  ixpk= 146, nxpk= 90, iat=1282,1247, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H2           63 ADE  H1'         6.00    (#     147:90   4.30, 4.30 A)
 &rst
  ixpk= 147, nxpk= 90, iat=1259,1247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H2           51 ADE  H1'         6.00    (#     147:90  AMB)
 &rst
  ixpk= 147, nxpk= 90, iat= 879, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THY  H6           52 THY  H1'         4.90    (#     148:90   3.65, 3.65 A)
 &rst
  ixpk= 148, nxpk= 90, iat= 902, 899, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H6           64 THY  H1'         4.90    (#     148:90  AMB)
 &rst
  ixpk= 148, nxpk= 90, iat=1282,1279, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H8           64 THY  H1'         6.00    (#     149:90   3.68, 3.68 A)
 &rst
  ixpk= 149, nxpk= 90, iat=1314,1279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 ADE  H8           52 THY  H1'         6.00    (#     149:90  AMB)
 &rst
  ixpk= 149, nxpk= 90, iat= 934, 899, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H6           65 ADE  H1'         3.50    (#     150:90   4.17, 4.17 A)
 &rst
  ixpk= 150, nxpk= 90, iat=1346,1311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H6           53 ADE  H1'         3.50    (#     150:90  AMB)
 &rst
  ixpk= 150, nxpk= 90, iat= 966, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 THY  H6           67 ADE  H1'         4.90    (#     151:90   3.96, 3.96 A)
 &rst
  ixpk= 151, nxpk= 90, iat=1410,1375, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H6           55 ADE  H1'         4.90    (#     151:90  AMB)
 &rst
  ixpk= 151, nxpk= 90, iat=1030, 995, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H2           55 ADE  H1'         4.90    (#     152:90   5.21, 5.21 A)
 &rst
  ixpk= 152, nxpk= 90, iat=1323, 995, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H2           65 ADE  H1'         4.90    (#     152:90  AMB)
 &rst
  ixpk= 152, nxpk= 90, iat=1323,1311, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H2           67 ADE  H1'         4.90    (#     152:90  AMB)
 &rst
  ixpk= 152, nxpk= 90, iat= 943,1375, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H2           53 ADE  H1'         4.90    (#     152:90  AMB)
 &rst
  ixpk= 152, nxpk= 90, iat= 943, 931, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H8           65 ADE  H1'         4.90    (#     153:90   3.81, 3.81 A)
 &rst
  ixpk= 153, nxpk= 90, iat=1314,1311, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H8           53 ADE  H1'         4.90    (#     153:90  AMB)
 &rst
  ixpk= 153, nxpk= 90, iat= 934, 931, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H8           54 THY  H1'         6.00    (#     154:90   3.87, 3.87 A)
 &rst
  ixpk= 154, nxpk= 90, iat= 998, 963, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ADE  H8           66 THY  H1'         6.00    (#     154:90  AMB)
 &rst
  ixpk= 154, nxpk= 90, iat=1378,1343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H6           66 THY  H1'         6.00    (#     155:90   3.68, 3.68 A)
 &rst
  ixpk= 155, nxpk= 90, iat=1346,1343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 THY  H6           54 THY  H1'         6.00    (#     155:90  AMB)
 &rst
  ixpk= 155, nxpk= 90, iat= 966, 963, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H6           68 THY  H1'         4.90    (#     156:90   3.64, 3.64 A)
 &rst
  ixpk= 156, nxpk= 90, iat=1410,1407, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H6           56 THY  H1'         4.90    (#     156:90  AMB)
 &rst
  ixpk= 156, nxpk= 90, iat=1030,1027, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   57 GUA  H8           56 THY  H1'         6.00    (#     157:90   4.34, 4.34 A)
 &rst
  ixpk= 157, nxpk= 90, iat=1062,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H8           68 THY  H1'         6.00    (#     157:90  AMB)
 &rst
  ixpk= 157, nxpk= 90, iat=1442,1407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H8           58 CYT  H5          6.00    (#     159:90   5.11, 5.11 A)
 &rst
  ixpk= 159, nxpk= 90, iat=1062,1097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H8           70 CYT  H5          6.00    (#     159:90  AMB)
 &rst
  ixpk= 159, nxpk= 90, iat=1442,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H6           58 CYT  H5          3.50    (#     160:90   2.40, 2.40 A)
 &rst
  ixpk= 160, nxpk= 90, iat=1095,1097, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H6           70 CYT  H5          3.50    (#     160:90  AMB)
 &rst
  ixpk= 160, nxpk= 90, iat=1475,1477, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H42          58 CYT  H5          6.00    (#     161:90   2.40, 2.40 A)
 &rst
  ixpk= 161, nxpk= 90, iat=1101,1097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H42          70 CYT  H5          6.00    (#     161:90  AMB)
 &rst
  ixpk= 161, nxpk= 90, iat=1481,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H6           58 CYT  H41         6.00    (#     162:90   5.32, 5.32 A)
 &rst
  ixpk= 162, nxpk= 90, iat=1095,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H6           70 CYT  H41         6.00    (#     162:90  AMB)
 &rst
  ixpk= 162, nxpk= 90, iat=1475,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H42          62 CYT  H5          6.00    (#     163:90   2.49, 2.49 A)
 &rst
  ixpk= 163, nxpk= 90, iat=1226,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H42          50 CYT  H5          6.00    (#     163:90  AMB)
 &rst
  ixpk= 163, nxpk= 90, iat= 846, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H6           48 CYT  H2''        3.50    (#     164:90   3.63, 3.63 A)
 &rst
  ixpk= 164, nxpk= 90, iat= 777, 791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H6           60 CYT  H2''        3.50    (#     164:90  AMB)
 &rst
  ixpk= 164, nxpk= 90, iat=1157,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H6           48 CYT  H2'         3.50    (#     165:90   2.71, 2.71 A)
 &rst
  ixpk= 165, nxpk= 90, iat= 777, 790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H6           60 CYT  H2'         3.50    (#     165:90  AMB)
 &rst
  ixpk= 165, nxpk= 90, iat=1157,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H8           48 CYT  H2'         4.90    (#     166:90   2.35, 2.35 A)
 &rst
  ixpk= 166, nxpk= 90, iat= 807, 790, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 GUA  H8           60 CYT  H2'         4.90    (#     166:90  AMB)
 &rst
  ixpk= 166, nxpk= 90, iat=1187,1170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H8           48 CYT  H2''        2.60    (#     167:90   2.25, 2.25 A)
 &rst
  ixpk= 167, nxpk= 90, iat= 807, 791, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   61 GUA  H8           60 CYT  H2''        2.60    (#     167:90  AMB)
 &rst
  ixpk= 167, nxpk= 90, iat=1187,1171, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   49 GUA  H8           49 GUA  H2''        3.50    (#     168:90   3.05, 3.05 A)
 &rst
  ixpk= 168, nxpk= 90, iat= 807, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H8           61 GUA  H2''        3.50    (#     168:90  AMB)
 &rst
  ixpk= 168, nxpk= 90, iat=1187,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H8           49 GUA  H2'         2.60    (#     169:90   2.17, 2.17 A)
 &rst
  ixpk= 169, nxpk= 90, iat= 807, 823, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   61 GUA  H8           61 GUA  H2'         2.60    (#     169:90  AMB)
 &rst
  ixpk= 169, nxpk= 90, iat=1187,1203, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   62 CYT  H6           61 GUA  H2''        4.90    (#     170:90   3.02, 3.02 A)
 &rst
  ixpk= 170, nxpk= 90, iat=1220,1204, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H6           49 GUA  H2''        4.90    (#     170:90  AMB)
 &rst
  ixpk= 170, nxpk= 90, iat= 840, 824, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H6           61 GUA  H2'         6.00    (#     171:90   4.54, 4.54 A)
 &rst
  ixpk= 171, nxpk= 90, iat=1220,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H6           49 GUA  H2'         6.00    (#     171:90  AMB)
 &rst
  ixpk= 171, nxpk= 90, iat= 840, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H6           62 CYT  H2'         3.50    (#     173:90   3.40, 3.40 A)
 &rst
  ixpk= 173, nxpk= 90, iat=1220,1233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H6           50 CYT  H2'         3.50    (#     173:90  AMB)
 &rst
  ixpk= 173, nxpk= 90, iat= 840, 853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H8           50 CYT  H2'         4.90    (#     174:90   2.35, 2.35 A)
 &rst
  ixpk= 174, nxpk= 90, iat= 870, 853, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H8           62 CYT  H2'         4.90    (#     174:90  AMB)
 &rst
  ixpk= 174, nxpk= 90, iat=1250,1233, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H8           50 CYT  H2''        4.90    (#     175:90   2.34, 2.34 A)
 &rst
  ixpk= 175, nxpk= 90, iat= 870, 854, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H8           62 CYT  H2''        4.90    (#     175:90  AMB)
 &rst
  ixpk= 175, nxpk= 90, iat=1250,1234, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H8           51 ADE  H2''        3.50    (#     176:90   3.61, 3.61 A)
 &rst
  ixpk= 176, nxpk= 90, iat= 870, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H8           63 ADE  H2''        3.50    (#     176:90  AMB)
 &rst
  ixpk= 176, nxpk= 90, iat=1250,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H8           51 ADE  H2'         3.50    (#     177:90   2.57, 2.57 A)
 &rst
  ixpk= 177, nxpk= 90, iat= 870, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H8           63 ADE  H2'         3.50    (#     177:90  AMB)
 &rst
  ixpk= 177, nxpk= 90, iat=1250,1265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H6           51 ADE  H2'         4.90    (#     178:90   2.75, 2.75 A)
 &rst
  ixpk= 178, nxpk= 90, iat= 902, 885, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H6           63 ADE  H2'         4.90    (#     178:90  AMB)
 &rst
  ixpk= 178, nxpk= 90, iat=1282,1265, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H6           51 ADE  H2''        4.90    (#     179:90   2.44, 2.44 A)
 &rst
  ixpk= 179, nxpk= 90, iat= 902, 886, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H6           63 ADE  H2''        4.90    (#     179:90  AMB)
 &rst
  ixpk= 179, nxpk= 90, iat=1282,1266, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H6           66 THY  H2''        3.50    (#     180:90   3.53, 3.53 A)
 &rst
  ixpk= 180, nxpk= 90, iat=1346,1362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H6           52 THY  H2''        3.50    (#     180:90  AMB)
 &rst
  ixpk= 180, nxpk= 90, iat= 902, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H6           54 THY  H2''        3.50    (#     180:90  AMB)
 &rst
  ixpk= 180, nxpk= 90, iat= 966, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 THY  H6           64 THY  H2''        3.50    (#     180:90  AMB)
 &rst
  ixpk= 180, nxpk= 90, iat=1282,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H6           52 THY  H2'         3.50    (#     181:90   2.60, 2.60 A)
 &rst
  ixpk= 181, nxpk= 90, iat= 902, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 THY  H6           64 THY  H2'         3.50    (#     181:90  AMB)
 &rst
  ixpk= 181, nxpk= 90, iat=1282,1297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H8           64 THY  H2'         4.90    (#     182:90   4.19, 4.19 A)
 &rst
  ixpk= 182, nxpk= 90, iat=1314,1297, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H8           52 THY  H2'         4.90    (#     182:90  AMB)
 &rst
  ixpk= 182, nxpk= 90, iat= 934, 917, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H8           64 THY  H2''        3.50    (#     183:90   2.66, 2.66 A)
 &rst
  ixpk= 183, nxpk= 90, iat=1314,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H8           52 THY  H2''        3.50    (#     183:90  AMB)
 &rst
  ixpk= 183, nxpk= 90, iat= 934, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H8           65 ADE  H2''        3.50    (#     184:90   4.14, 4.14 A)
 &rst
  ixpk= 184, nxpk= 90, iat=1314,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H8           53 ADE  H2''        3.50    (#     184:90  AMB)
 &rst
  ixpk= 184, nxpk= 90, iat= 934, 950, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ADE  H8           55 ADE  H2'         3.50    (#     185:90   2.79, 2.79 A)
 &rst
  ixpk= 185, nxpk= 90, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ADE  H8           67 ADE  H2'         3.50    (#     185:90  AMB)
 &rst
  ixpk= 185, nxpk= 90, iat=1378,1393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THY  H6           65 ADE  H2''        4.90    (#     186:90   3.07, 3.07 A)
 &rst
  ixpk= 186, nxpk= 90, iat=1346,1330, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H6           53 ADE  H2''        4.90    (#     186:90  AMB)
 &rst
  ixpk= 186, nxpk= 90, iat= 966, 950, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H6           65 ADE  H2'         3.50    (#     187:90   2.04, 2.04 A)
 &rst
  ixpk= 187, nxpk= 90, iat=1346,1329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H6           53 ADE  H2'         3.50    (#     187:90  AMB)
 &rst
  ixpk= 187, nxpk= 90, iat= 966, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ADE  H8           54 THY  H2'         4.90    (#     188:90   2.68, 2.68 A)
 &rst
  ixpk= 188, nxpk= 90, iat= 998, 981, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H8           66 THY  H2'         4.90    (#     188:90  AMB)
 &rst
  ixpk= 188, nxpk= 90, iat=1378,1361, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H6           66 THY  H2'         3.50    (#     189:90   2.54, 2.54 A)
 &rst
  ixpk= 189, nxpk= 90, iat=1346,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H6           54 THY  H2'         3.50    (#     189:90  AMB)
 &rst
  ixpk= 189, nxpk= 90, iat= 966, 981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 THY  H6           67 ADE  H2''        4.90    (#     190:90   2.26, 2.26 A)
 &rst
  ixpk= 190, nxpk= 90, iat=1410,1394, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H6           55 ADE  H2''        4.90    (#     190:90  AMB)
 &rst
  ixpk= 190, nxpk= 90, iat=1030,1014, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H6           67 ADE  H2'         4.90    (#     191:90   1.88, 1.88 A)
 &rst
  ixpk= 191, nxpk= 90, iat=1410,1393, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H6           55 ADE  H2'         4.90    (#     191:90  AMB)
 &rst
  ixpk= 191, nxpk= 90, iat=1030,1013, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H6           68 THY  H2''        4.90    (#     192:90   3.22, 3.22 A)
 &rst
  ixpk= 192, nxpk= 90, iat=1410,1426, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H6           56 THY  H2''        4.90    (#     192:90  AMB)
 &rst
  ixpk= 192, nxpk= 90, iat=1030,1046, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H6           68 THY  H2'         3.50    (#     193:90   2.27, 2.27 A)
 &rst
  ixpk= 193, nxpk= 90, iat=1410,1425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 THY  H6           56 THY  H2'         3.50    (#     193:90  AMB)
 &rst
  ixpk= 193, nxpk= 90, iat=1030,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H8           56 THY  H2'         6.00    (#     194:90   2.41, 2.41 A)
 &rst
  ixpk= 194, nxpk= 90, iat=1062,1045, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H8           68 THY  H2'         6.00    (#     194:90  AMB)
 &rst
  ixpk= 194, nxpk= 90, iat=1442,1425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H8           56 THY  H2''        4.90    (#     195:90   2.90, 2.90 A)
 &rst
  ixpk= 195, nxpk= 90, iat=1062,1046, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   69 GUA  H8           68 THY  H2''        4.90    (#     195:90  AMB)
 &rst
  ixpk= 195, nxpk= 90, iat=1442,1426, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   57 GUA  H8           57 GUA  H2'         3.50    (#     196:90   2.56, 2.56 A)
 &rst
  ixpk= 196, nxpk= 90, iat=1062,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H8           69 GUA  H2'         3.50    (#     196:90  AMB)
 &rst
  ixpk= 196, nxpk= 90, iat=1442,1458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H8           57 GUA  H2''        3.50    (#     197:90   3.24, 3.24 A)
 &rst
  ixpk= 197, nxpk= 90, iat=1062,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H8           69 GUA  H2''        3.50    (#     197:90  AMB)
 &rst
  ixpk= 197, nxpk= 90, iat=1442,1459, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H6           57 GUA  H2''        4.90    (#     198:90   3.36, 3.36 A)
 &rst
  ixpk= 198, nxpk= 90, iat=1095,1079, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H6           69 GUA  H2''        4.90    (#     198:90  AMB)
 &rst
  ixpk= 198, nxpk= 90, iat=1475,1459, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H6           57 GUA  H2'         6.00    (#     199:90   4.99, 4.99 A)
 &rst
  ixpk= 199, nxpk= 90, iat=1095,1078, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H6           69 GUA  H2'         6.00    (#     199:90  AMB)
 &rst
  ixpk= 199, nxpk= 90, iat=1475,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H6           58 CYT  H2''        3.50    (#     200:90   3.58, 3.58 A)
 &rst
  ixpk= 200, nxpk= 90, iat=1095,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H6           70 CYT  H2''        3.50    (#     200:90  AMB)
 &rst
  ixpk= 200, nxpk= 90, iat=1475,1489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H6           58 CYT  H2'         3.50    (#     201:90   2.62, 2.62 A)
 &rst
  ixpk= 201, nxpk= 90, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H6           70 CYT  H2'         3.50    (#     201:90  AMB)
 &rst
  ixpk= 201, nxpk= 90, iat=1475,1488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H8           58 CYT  H2''        3.50    (#     202:90   2.91, 2.91 A)
 &rst
  ixpk= 202, nxpk= 90, iat=1125,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H8           70 CYT  H2''        3.50    (#     202:90  AMB)
 &rst
  ixpk= 202, nxpk= 90, iat=1505,1489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H8           58 CYT  H2'         4.90    (#     203:90   2.93, 2.93 A)
 &rst
  ixpk= 203, nxpk= 90, iat=1125,1108, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H8           70 CYT  H2'         4.90    (#     203:90  AMB)
 &rst
  ixpk= 203, nxpk= 90, iat=1505,1488, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   59 GUA  H8           59 GUA  H2''        4.90    (#     204:90   3.52, 3.52 A)
 &rst
  ixpk= 204, nxpk= 90, iat=1125,1142, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H8           71 GUA  H2''        4.90    (#     204:90  AMB)
 &rst
  ixpk= 204, nxpk= 90, iat=1505,1522, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H8           52 THY  H7          3.50    (#     207:90   2.82, 3.77 A)
 &rst
  ixpk= 207, nxpk= 90, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 905, 906, 907,
 &end
#
#   63 ADE  H8           64 THY  H7          3.50    (#     207:90  AMB)
 &rst
  ixpk= 207, nxpk= 90, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1285,1286,1287,
 &end
#
#   52 THY  H6           52 THY  H7          2.60    (#     208:90   2.66, 3.02 A)
 &rst
  ixpk= 208, nxpk= 90, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 905, 906, 907,
 &end
#
#   64 THY  H6           64 THY  H7          2.60    (#     208:90  AMB)
 &rst
  ixpk= 208, nxpk= 90, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=1285,1286,1287,
 &end
#
#   65 ADE  H8           66 THY  H7          3.50    (#     209:90   3.04, 3.96 A)
 &rst
  ixpk= 209, nxpk= 90, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1349,1350,1351,
 &end
#
#   53 ADE  H8           54 THY  H7          3.50    (#     209:90  AMB)
 &rst
  ixpk= 209, nxpk= 90, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 969, 970, 971,
 &end
#
#   55 ADE  H8           56 THY  H7          3.50    (#     210:90   3.58, 4.42 A)
 &rst
  ixpk= 210, nxpk= 90, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1033,1034,1035,
 &end
#
#   67 ADE  H8           68 THY  H7          3.50    (#     210:90  AMB)
 &rst
  ixpk= 210, nxpk= 90, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1413,1414,1415,
 &end
#
#   66 THY  H6           66 THY  H7          2.60    (#     211:90   2.71, 3.05 A)
 &rst
  ixpk= 211, nxpk= 90, iat=1346,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=1349,1350,1351,
 &end
#
#   54 THY  H6           54 THY  H7          2.60    (#     211:90  AMB)
 &rst
  ixpk= 211, nxpk= 90, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 969, 970, 971,
 &end
#
#   68 THY  H6           68 THY  H7          2.60    (#     212:90   2.71, 3.05 A)
 &rst
  ixpk= 212, nxpk= 90, iat=1410,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=1413,1414,1415,
 &end
#
#   56 THY  H6           56 THY  H7          2.60    (#     212:90  AMB)
 &rst
  ixpk= 212, nxpk= 90, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=1033,1034,1035,
 &end
#
#   52 THY  H7           51 ADE  H1'         4.90    (#     213:90   4.43, 5.32 A)
 &rst
  ixpk= 213, nxpk= 90, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           63 ADE  H1'         4.90    (#     213:90  AMB)
 &rst
  ixpk= 213, nxpk= 90, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1285,1286,1287,
 &end
#
#   54 THY  H7           53 ADE  H1'         4.90    (#     215:90   4.59, 5.55 A)
 &rst
  ixpk= 215, nxpk= 90, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           65 ADE  H1'         4.90    (#     215:90  AMB)
 &rst
  ixpk= 215, nxpk= 90, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1349,1350,1351,
 &end
#
#   68 THY  H7           67 ADE  H1'         4.90    (#     216:90   4.12, 5.07 A)
 &rst
  ixpk= 216, nxpk= 90, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           55 ADE  H1'         4.90    (#     216:90  AMB)
 &rst
  ixpk= 216, nxpk= 90, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1033,1034,1035,
 &end
#
#   63 ADE  H1'          64 THY  H7          4.90    (#     219:90   4.69, 5.49 A)
 &rst
  ixpk= 219, nxpk= 90, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1285,1286,1287,
 &end
#
#   51 ADE  H1'          52 THY  H7          4.90    (#     219:90  AMB)
 &rst
  ixpk= 219, nxpk= 90, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 905, 906, 907,
 &end
#
#   53 ADE  H1'          54 THY  H7          4.90    (#     221:90   4.59, 5.55 A)
 &rst
  ixpk= 221, nxpk= 90, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 969, 970, 971,
 &end
#
#   65 ADE  H1'          66 THY  H7          4.90    (#     221:90  AMB)
 &rst
  ixpk= 221, nxpk= 90, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1349,1350,1351,
 &end
#
#   67 ADE  H1'          68 THY  H7          4.90    (#     222:90   4.12, 5.07 A)
 &rst
  ixpk= 222, nxpk= 90, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1413,1414,1415,
 &end
#
#   55 ADE  H1'          56 THY  H7          4.90    (#     222:90  AMB)
 &rst
  ixpk= 222, nxpk= 90, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1033,1034,1035,
 &end
#
#   66 THY  H1'          66 THY  H7          6.00    (#     223:90   5.92, 6.15 A)
 &rst
  ixpk= 223, nxpk= 90, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1349,1350,1351,
 &end
#
#   54 THY  H1'          54 THY  H7          6.00    (#     223:90  AMB)
 &rst
  ixpk= 223, nxpk= 90, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 969, 970, 971,
 &end
#
#   68 THY  H1'          68 THY  H7          6.00    (#     224:90   5.88, 6.12 A)
 &rst
  ixpk= 224, nxpk= 90, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1413,1414,1415,
 &end
#
#   56 THY  H1'          56 THY  H7          6.00    (#     224:90  AMB)
 &rst
  ixpk= 224, nxpk= 90, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1033,1034,1035,
 &end
#
#   60 CYT  H2'          60 CYT  H1'         3.50    (#     226:90   3.19, 3.19 A)
 &rst
  ixpk= 226, nxpk= 90, iat=1170,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H2'          48 CYT  H1'         3.50    (#     226:90  AMB)
 &rst
  ixpk= 226, nxpk= 90, iat= 790, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H2''         48 CYT  H1'         2.60    (#     227:90   1.73, 1.73 A)
 &rst
  ixpk= 227, nxpk= 90, iat= 791, 774, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   60 CYT  H2''         60 CYT  H1'         2.60    (#     227:90  AMB)
 &rst
  ixpk= 227, nxpk= 90, iat=1171,1154, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   49 GUA  H2'          49 GUA  H1'         3.50    (#     228:90   3.35, 3.35 A)
 &rst
  ixpk= 228, nxpk= 90, iat= 823, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H2'          61 GUA  H1'         3.50    (#     228:90  AMB)
 &rst
  ixpk= 228, nxpk= 90, iat=1203,1184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H2''         61 GUA  H1'         3.50    (#     229:90   2.22, 2.22 A)
 &rst
  ixpk= 229, nxpk= 90, iat=1204,1184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H2''         49 GUA  H1'         3.50    (#     229:90  AMB)
 &rst
  ixpk= 229, nxpk= 90, iat= 824, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H2'          50 CYT  H1'         3.50    (#     230:90   3.33, 3.33 A)
 &rst
  ixpk= 230, nxpk= 90, iat= 853, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H2'          62 CYT  H1'         3.50    (#     230:90  AMB)
 &rst
  ixpk= 230, nxpk= 90, iat=1233,1217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H2''         62 CYT  H1'         3.50    (#     231:90   1.78, 1.78 A)
 &rst
  ixpk= 231, nxpk= 90, iat=1234,1217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H2''         50 CYT  H1'         3.50    (#     231:90  AMB)
 &rst
  ixpk= 231, nxpk= 90, iat= 854, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H2'          51 ADE  H1'         3.50    (#     232:90   3.22, 3.22 A)
 &rst
  ixpk= 232, nxpk= 90, iat= 885, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H2'          63 ADE  H1'         3.50    (#     232:90  AMB)
 &rst
  ixpk= 232, nxpk= 90, iat=1265,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H2''         63 ADE  H1'         3.50    (#     233:90   1.81, 1.81 A)
 &rst
  ixpk= 233, nxpk= 90, iat=1266,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H2''         51 ADE  H1'         3.50    (#     233:90  AMB)
 &rst
  ixpk= 233, nxpk= 90, iat= 886, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H2'          52 THY  H1'         4.90    (#     234:90   3.35, 3.35 A)
 &rst
  ixpk= 234, nxpk= 90, iat= 917, 899, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H2'          64 THY  H1'         4.90    (#     234:90  AMB)
 &rst
  ixpk= 234, nxpk= 90, iat=1297,1279, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H2''         64 THY  H1'         3.50    (#     235:90   2.26, 2.26 A)
 &rst
  ixpk= 235, nxpk= 90, iat=1298,1279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H2''         52 THY  H1'         3.50    (#     235:90  AMB)
 &rst
  ixpk= 235, nxpk= 90, iat= 918, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H2'          65 ADE  H1'         3.50    (#     236:90   2.95, 2.95 A)
 &rst
  ixpk= 236, nxpk= 90, iat=1329,1311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H2'          53 ADE  H1'         3.50    (#     236:90  AMB)
 &rst
  ixpk= 236, nxpk= 90, iat= 949, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H2''         53 ADE  H1'         3.50    (#     237:90   1.86, 1.86 A)
 &rst
  ixpk= 237, nxpk= 90, iat= 950, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H2''         65 ADE  H1'         3.50    (#     237:90  AMB)
 &rst
  ixpk= 237, nxpk= 90, iat=1330,1311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H2'          54 THY  H1'         6.00    (#     238:90   3.11, 3.11 A)
 &rst
  ixpk= 238, nxpk= 90, iat= 981, 963, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H2'          66 THY  H1'         6.00    (#     238:90  AMB)
 &rst
  ixpk= 238, nxpk= 90, iat=1361,1343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H2''         66 THY  H1'         4.90    (#     239:90   1.68, 1.68 A)
 &rst
  ixpk= 239, nxpk= 90, iat=1362,1343, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H2''         54 THY  H1'         4.90    (#     239:90  AMB)
 &rst
  ixpk= 239, nxpk= 90, iat= 982, 963, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H2'          68 THY  H1'         6.00    (#     240:90   3.16, 3.16 A)
 &rst
  ixpk= 240, nxpk= 90, iat=1425,1407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 THY  H2'          56 THY  H1'         6.00    (#     240:90  AMB)
 &rst
  ixpk= 240, nxpk= 90, iat=1045,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 THY  H2''         56 THY  H1'         3.50    (#     241:90   1.78, 1.78 A)
 &rst
  ixpk= 241, nxpk= 90, iat=1046,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 THY  H2''         68 THY  H1'         3.50    (#     241:90  AMB)
 &rst
  ixpk= 241, nxpk= 90, iat=1426,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H2'          69 GUA  H1'         3.50    (#     242:90   3.10, 3.10 A)
 &rst
  ixpk= 242, nxpk= 90, iat=1458,1439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H2'          57 GUA  H1'         3.50    (#     242:90  AMB)
 &rst
  ixpk= 242, nxpk= 90, iat=1078,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H2''         57 GUA  H1'         3.50    (#     243:90   2.03, 2.03 A)
 &rst
  ixpk= 243, nxpk= 90, iat=1079,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H2''         69 GUA  H1'         3.50    (#     243:90  AMB)
 &rst
  ixpk= 243, nxpk= 90, iat=1459,1439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H2'          70 CYT  H1'         3.50    (#     244:90   3.22, 3.22 A)
 &rst
  ixpk= 244, nxpk= 90, iat=1488,1472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H2'          58 CYT  H1'         3.50    (#     244:90  AMB)
 &rst
  ixpk= 244, nxpk= 90, iat=1108,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H2''         58 CYT  H1'         2.60    (#     245:90   1.89, 1.89 A)
 &rst
  ixpk= 245, nxpk= 90, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   70 CYT  H2''         70 CYT  H1'         2.60    (#     245:90  AMB)
 &rst
  ixpk= 245, nxpk= 90, iat=1489,1472, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   70 CYT  H2'          70 CYT  H5          6.00    (#     246:90   4.40, 4.40 A)
 &rst
  ixpk= 246, nxpk= 90, iat=1488,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H2'          58 CYT  H5          6.00    (#     246:90  AMB)
 &rst
  ixpk= 246, nxpk= 90, iat=1108,1097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 GUA  H2'          59 GUA  H1'         3.50    (#     247:90   3.21, 3.21 A)
 &rst
  ixpk= 247, nxpk= 90, iat=1141,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H2'          71 GUA  H1'         3.50    (#     247:90  AMB)
 &rst
  ixpk= 247, nxpk= 90, iat=1521,1502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H2''         71 GUA  H1'         2.40    (#     248:90   1.77, 1.77 A)
 &rst
  ixpk= 248, nxpk= 90, iat=1522,1502, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   59 GUA  H2''         59 GUA  H1'         2.40    (#     248:90  AMB)
 &rst
  ixpk= 248, nxpk= 90, iat=1142,1122, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   60 CYT  H2'          60 CYT  H5          4.90    (#     249:90   4.57, 4.57 A)
 &rst
  ixpk= 249, nxpk= 90, iat=1170,1159, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H2'          48 CYT  H5          4.90    (#     249:90  AMB)
 &rst
  ixpk= 249, nxpk= 90, iat= 790, 779, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H2''         48 CYT  H5          6.00    (#     250:90   5.60, 5.60 A)
 &rst
  ixpk= 250, nxpk= 90, iat= 791, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 CYT  H2''         60 CYT  H5          6.00    (#     250:90  AMB)
 &rst
  ixpk= 250, nxpk= 90, iat=1171,1159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H2'          71 GUA  H1'         6.00    (#     254:90   6.08, 6.08 A)
 &rst
  ixpk= 254, nxpk= 90, iat=1488,1502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H2'          59 GUA  H1'         6.00    (#     254:90  AMB)
 &rst
  ixpk= 254, nxpk= 90, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H2''         58 CYT  H5          6.00    (#     255:90   5.50, 5.50 A)
 &rst
  ixpk= 255, nxpk= 90, iat=1109,1097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H2''         70 CYT  H5          6.00    (#     255:90  AMB)
 &rst
  ixpk= 255, nxpk= 90, iat=1489,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H2''         58 CYT  H5          6.00    (#     256:90   2.50, 2.50 A)
 &rst
  ixpk= 256, nxpk= 90, iat=1079,1097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H2''         70 CYT  H5          6.00    (#     256:90  AMB)
 &rst
  ixpk= 256, nxpk= 90, iat=1459,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H2'          50 CYT  H5          6.00    (#     257:90   4.01, 4.01 A)
 &rst
  ixpk= 257, nxpk= 90, iat= 823, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H2'          62 CYT  H5          6.00    (#     257:90  AMB)
 &rst
  ixpk= 257, nxpk= 90, iat=1203,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H2'          50 CYT  H5          6.00    (#     260:90   4.44, 4.44 A)
 &rst
  ixpk= 260, nxpk= 90, iat= 853, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H2'          62 CYT  H5          6.00    (#     260:90  AMB)
 &rst
  ixpk= 260, nxpk= 90, iat=1233,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H2''         62 CYT  H5          6.00    (#     261:90   6.02, 6.02 A)
 &rst
  ixpk= 261, nxpk= 90, iat=1234,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H2''         50 CYT  H5          6.00    (#     261:90  AMB)
 &rst
  ixpk= 261, nxpk= 90, iat= 854, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H2''         62 CYT  H5          6.00    (#     262:90   3.61, 3.61 A)
 &rst
  ixpk= 262, nxpk= 90, iat=1204,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H2''         50 CYT  H5          6.00    (#     262:90  AMB)
 &rst
  ixpk= 262, nxpk= 90, iat= 824, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H2'          49 GUA  H1'         6.00    (#     263:90   5.25, 5.25 A)
 &rst
  ixpk= 263, nxpk= 90, iat= 853, 804, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H2'          61 GUA  H1'         6.00    (#     263:90  AMB)
 &rst
  ixpk= 263, nxpk= 90, iat=1233,1184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H1'          48 CYT  H2''        2.40    (#     264:90   1.73, 1.73 A)
 &rst
  ixpk= 264, nxpk= 90, iat= 774, 791, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   60 CYT  H1'          60 CYT  H2''        2.40    (#     264:90  AMB)
 &rst
  ixpk= 264, nxpk= 90, iat=1154,1171, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   48 CYT  H1'          48 CYT  H2'         3.50    (#     265:90   3.10, 3.10 A)
 &rst
  ixpk= 265, nxpk= 90, iat= 774, 790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H1'          60 CYT  H2'         3.50    (#     265:90  AMB)
 &rst
  ixpk= 265, nxpk= 90, iat=1154,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H5           48 CYT  H2''        6.00    (#     266:90   5.60, 5.60 A)
 &rst
  ixpk= 266, nxpk= 90, iat= 779, 791, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 CYT  H5           60 CYT  H2''        6.00    (#     266:90  AMB)
 &rst
  ixpk= 266, nxpk= 90, iat=1159,1171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H5           48 CYT  H2'         4.90    (#     267:90   4.73, 4.73 A)
 &rst
  ixpk= 267, nxpk= 90, iat= 779, 790, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H5           60 CYT  H2'         4.90    (#     267:90  AMB)
 &rst
  ixpk= 267, nxpk= 90, iat=1159,1170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H1'          49 GUA  H2''        3.50    (#     268:90   2.15, 2.15 A)
 &rst
  ixpk= 268, nxpk= 90, iat= 804, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H1'          61 GUA  H2''        3.50    (#     268:90  AMB)
 &rst
  ixpk= 268, nxpk= 90, iat=1184,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H1'          49 GUA  H2'         3.50    (#     269:90   3.35, 3.35 A)
 &rst
  ixpk= 269, nxpk= 90, iat= 804, 823, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H1'          61 GUA  H2'         3.50    (#     269:90  AMB)
 &rst
  ixpk= 269, nxpk= 90, iat=1184,1203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H1'          62 CYT  H2''        3.50    (#     270:90   1.78, 1.78 A)
 &rst
  ixpk= 270, nxpk= 90, iat=1217,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H1'          50 CYT  H2''        3.50    (#     270:90  AMB)
 &rst
  ixpk= 270, nxpk= 90, iat= 837, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H5           62 CYT  H2''        6.00    (#     271:90   6.02, 6.02 A)
 &rst
  ixpk= 271, nxpk= 90, iat=1222,1234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H5           50 CYT  H2''        6.00    (#     271:90  AMB)
 &rst
  ixpk= 271, nxpk= 90, iat= 842, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H5           62 CYT  H2'         4.90    (#     272:90   5.21, 5.21 A)
 &rst
  ixpk= 272, nxpk= 90, iat=1222,1233, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H5           50 CYT  H2'         4.90    (#     272:90  AMB)
 &rst
  ixpk= 272, nxpk= 90, iat= 842, 853, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H1'          64 THY  H2'         3.50    (#     273:90   3.42, 3.42 A)
 &rst
  ixpk= 273, nxpk= 90, iat=1279,1297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H1'          52 THY  H2'         3.50    (#     273:90  AMB)
 &rst
  ixpk= 273, nxpk= 90, iat= 899, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H1'          63 ADE  H2''        3.50    (#     274:90   1.81, 1.81 A)
 &rst
  ixpk= 274, nxpk= 90, iat=1247,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H1'          51 ADE  H2''        3.50    (#     274:90  AMB)
 &rst
  ixpk= 274, nxpk= 90, iat= 867, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H1'          63 ADE  H2'         3.50    (#     275:90   3.18, 3.18 A)
 &rst
  ixpk= 275, nxpk= 90, iat=1247,1265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H1'          51 ADE  H2'         3.50    (#     275:90  AMB)
 &rst
  ixpk= 275, nxpk= 90, iat= 867, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 THY  H1'          64 THY  H2''        3.50    (#     276:90   2.26, 2.26 A)
 &rst
  ixpk= 276, nxpk= 90, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H1'          52 THY  H2''        3.50    (#     276:90  AMB)
 &rst
  ixpk= 276, nxpk= 90, iat= 899, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H1'          62 CYT  H2'         3.50    (#     277:90   2.98, 2.98 A)
 &rst
  ixpk= 277, nxpk= 90, iat=1217,1233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H1'          50 CYT  H2'         3.50    (#     277:90  AMB)
 &rst
  ixpk= 277, nxpk= 90, iat= 837, 853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H1'          53 ADE  H2''        3.50    (#     278:90   1.86, 1.86 A)
 &rst
  ixpk= 278, nxpk= 90, iat= 931, 950, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H1'          65 ADE  H2''        3.50    (#     278:90  AMB)
 &rst
  ixpk= 278, nxpk= 90, iat=1311,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H1'          53 ADE  H2'         3.50    (#     279:90   3.18, 3.18 A)
 &rst
  ixpk= 279, nxpk= 90, iat= 931, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H1'          65 ADE  H2'         3.50    (#     279:90  AMB)
 &rst
  ixpk= 279, nxpk= 90, iat=1311,1329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THY  H1'          66 THY  H2'         6.00    (#     280:90   3.05, 3.05 A)
 &rst
  ixpk= 280, nxpk= 90, iat=1343,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 THY  H1'          54 THY  H2'         6.00    (#     280:90  AMB)
 &rst
  ixpk= 280, nxpk= 90, iat= 963, 981, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H1'          66 THY  H2''        4.90    (#     281:90   1.68, 1.68 A)
 &rst
  ixpk= 281, nxpk= 90, iat=1343,1362, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H1'          54 THY  H2''        4.90    (#     281:90  AMB)
 &rst
  ixpk= 281, nxpk= 90, iat= 963, 982, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H1'          68 THY  H2'         6.00    (#     282:90   3.16, 3.16 A)
 &rst
  ixpk= 282, nxpk= 90, iat=1407,1425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 THY  H1'          56 THY  H2'         6.00    (#     282:90  AMB)
 &rst
  ixpk= 282, nxpk= 90, iat=1027,1045, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H1'          68 THY  H2''        3.50    (#     283:90   1.82, 1.82 A)
 &rst
  ixpk= 283, nxpk= 90, iat=1407,1426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 THY  H1'          56 THY  H2''        3.50    (#     283:90  AMB)
 &rst
  ixpk= 283, nxpk= 90, iat=1027,1046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H1'          57 GUA  H2'         3.50    (#     284:90   3.23, 3.23 A)
 &rst
  ixpk= 284, nxpk= 90, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H1'          69 GUA  H2'         3.50    (#     284:90  AMB)
 &rst
  ixpk= 284, nxpk= 90, iat=1439,1458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GUA  H1'          57 GUA  H2''        3.50    (#     285:90   2.03, 2.03 A)
 &rst
  ixpk= 285, nxpk= 90, iat=1059,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H1'          69 GUA  H2''        3.50    (#     285:90  AMB)
 &rst
  ixpk= 285, nxpk= 90, iat=1439,1459, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H5           57 GUA  H2'         6.00    (#     286:90   4.21, 4.21 A)
 &rst
  ixpk= 286, nxpk= 90, iat=1097,1078, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H5           69 GUA  H2'         6.00    (#     286:90  AMB)
 &rst
  ixpk= 286, nxpk= 90, iat=1477,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           57 GUA  H2''        6.00    (#     287:90   2.50, 2.50 A)
 &rst
  ixpk= 287, nxpk= 90, iat=1097,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H5           69 GUA  H2''        6.00    (#     287:90  AMB)
 &rst
  ixpk= 287, nxpk= 90, iat=1477,1459, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           58 CYT  H2''        6.00    (#     288:90   5.50, 5.50 A)
 &rst
  ixpk= 288, nxpk= 90, iat=1097,1109, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H5           70 CYT  H2''        6.00    (#     288:90  AMB)
 &rst
  ixpk= 288, nxpk= 90, iat=1477,1489, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           58 CYT  H2'         4.90    (#     289:90   4.68, 4.68 A)
 &rst
  ixpk= 289, nxpk= 90, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H5           70 CYT  H2'         4.90    (#     289:90  AMB)
 &rst
  ixpk= 289, nxpk= 90, iat=1477,1488, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H1'          70 CYT  H2''        2.60    (#     290:90   1.88, 1.88 A)
 &rst
  ixpk= 290, nxpk= 90, iat=1472,1489, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   58 CYT  H1'          58 CYT  H2''        2.60    (#     290:90  AMB)
 &rst
  ixpk= 290, nxpk= 90, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   70 CYT  H1'          70 CYT  H2'         3.50    (#     291:90   3.22, 3.22 A)
 &rst
  ixpk= 291, nxpk= 90, iat=1472,1488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H1'          58 CYT  H2'         3.50    (#     291:90  AMB)
 &rst
  ixpk= 291, nxpk= 90, iat=1092,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H1'          59 GUA  H2''        3.50    (#     292:90   1.89, 1.89 A)
 &rst
  ixpk= 292, nxpk= 90, iat=1122,1142, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H1'          71 GUA  H2''        3.50    (#     292:90  AMB)
 &rst
  ixpk= 292, nxpk= 90, iat=1502,1522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H1'          59 GUA  H2'         3.50    (#     293:90   3.21, 3.21 A)
 &rst
  ixpk= 293, nxpk= 90, iat=1122,1141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H1'          71 GUA  H2'         3.50    (#     293:90  AMB)
 &rst
  ixpk= 293, nxpk= 90, iat=1502,1521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H1'          61 GUA  H2'         6.00    (#     294:90   6.45, 6.45 A)
 &rst
  ixpk= 294, nxpk= 90, iat=1217,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H1'          51 ADE  H2'         6.00    (#     294:90  AMB)
 &rst
  ixpk= 294, nxpk= 90, iat= 837, 885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H5           61 GUA  H2'         6.00    (#     295:90   4.42, 4.42 A)
 &rst
  ixpk= 295, nxpk= 90, iat=1222,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H5           49 GUA  H2'         6.00    (#     295:90  AMB)
 &rst
  ixpk= 295, nxpk= 90, iat= 842, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H5           61 GUA  H2''        6.00    (#     296:90   3.61, 3.61 A)
 &rst
  ixpk= 296, nxpk= 90, iat=1222,1204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H5           49 GUA  H2''        6.00    (#     296:90  AMB)
 &rst
  ixpk= 296, nxpk= 90, iat= 842, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H1'          50 CYT  H2'         6.00    (#     297:90   5.25, 5.25 A)
 &rst
  ixpk= 297, nxpk= 90, iat= 804, 853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H1'          62 CYT  H2'         6.00    (#     297:90  AMB)
 &rst
  ixpk= 297, nxpk= 90, iat=1184,1233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H5           62 CYT  H1'         6.00    (#     300:90   5.36, 5.36 A)
 &rst
  ixpk= 300, nxpk= 90, iat=1222,1217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H5           50 CYT  H1'         6.00    (#     300:90  AMB)
 &rst
  ixpk= 300, nxpk= 90, iat= 842, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           58 CYT  H1'         6.00    (#     301:90   5.36, 5.36 A)
 &rst
  ixpk= 301, nxpk= 90, iat=1097,1092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H5           70 CYT  H1'         6.00    (#     301:90  AMB)
 &rst
  ixpk= 301, nxpk= 90, iat=1477,1472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H1'          70 CYT  H5          6.00    (#     302:90   5.36, 5.36 A)
 &rst
  ixpk= 302, nxpk= 90, iat=1472,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H1'          58 CYT  H5          6.00    (#     302:90  AMB)
 &rst
  ixpk= 302, nxpk= 90, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H1'          71 GUA  H1'         4.90    (#     303:90   3.98, 3.98 A)
 &rst
  ixpk= 303, nxpk= 90, iat=1472,1502, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H1'          59 GUA  H1'         4.90    (#     303:90  AMB)
 &rst
  ixpk= 303, nxpk= 90, iat=1092,1122, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H1'          63 ADE  H1'         6.00    (#     304:90   5.35, 5.35 A)
 &rst
  ixpk= 304, nxpk= 90, iat=1217,1247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H1'          51 ADE  H1'         6.00    (#     304:90  AMB)
 &rst
  ixpk= 304, nxpk= 90, iat= 837, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H5           61 GUA  H1'         4.90    (#     305:90   5.35, 5.35 A)
 &rst
  ixpk= 305, nxpk= 90, iat=1222,1184, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H5           49 GUA  H1'         4.90    (#     305:90  AMB)
 &rst
  ixpk= 305, nxpk= 90, iat= 842, 804, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   62 CYT  H1'          61 GUA  H1'         4.90    (#     306:90   3.86, 3.86 A)
 &rst
  ixpk= 306, nxpk= 90, iat=1217,1184, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H1'          49 GUA  H1'         4.90    (#     306:90  AMB)
 &rst
  ixpk= 306, nxpk= 90, iat= 837, 804, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H1'          50 CYT  H1'         6.00    (#     307:90   4.02, 4.02 A)
 &rst
  ixpk= 307, nxpk= 90, iat= 804, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H1'          62 CYT  H1'         6.00    (#     307:90  AMB)
 &rst
  ixpk= 307, nxpk= 90, iat=1184,1217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H1'          50 CYT  H5          6.00    (#     308:90   4.18, 4.18 A)
 &rst
  ixpk= 308, nxpk= 90, iat= 804, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H1'          62 CYT  H5          6.00    (#     308:90  AMB)
 &rst
  ixpk= 308, nxpk= 90, iat=1184,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H3'          48 CYT  H5          6.00    (#     311:90   5.61, 5.61 A)
 &rst
  ixpk= 311, nxpk= 90, iat= 788, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H3'          61 GUA  H1'         4.90    (#     313:90   3.78, 3.78 A)
 &rst
  ixpk= 313, nxpk= 90, iat=1201,1184, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   49 GUA  H3'          49 GUA  H1'         4.90    (#     313:90  AMB)
 &rst
  ixpk= 313, nxpk= 90, iat= 821, 804, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 GUA  H3'          62 CYT  H5          6.00    (#     315:90   5.73, 5.73 A)
 &rst
  ixpk= 315, nxpk= 90, iat=1201,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H3'          50 CYT  H5          6.00    (#     315:90  AMB)
 &rst
  ixpk= 315, nxpk= 90, iat= 821, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H3'          51 ADE  H1'         4.90    (#     316:90   4.07, 4.07 A)
 &rst
  ixpk= 316, nxpk= 90, iat= 883, 867, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H3'          63 ADE  H1'         4.90    (#     316:90  AMB)
 &rst
  ixpk= 316, nxpk= 90, iat=1263,1247, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H3'          55 ADE  H1'         4.90    (#     317:90   3.80, 3.80 A)
 &rst
  ixpk= 317, nxpk= 90, iat=1011, 995, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H3'          67 ADE  H1'         4.90    (#     317:90  AMB)
 &rst
  ixpk= 317, nxpk= 90, iat=1391,1375, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H3'          68 THY  H1'         4.90    (#     319:90   3.85, 3.85 A)
 &rst
  ixpk= 319, nxpk= 90, iat=1423,1407, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   56 THY  H3'          56 THY  H1'         4.90    (#     319:90  AMB)
 &rst
  ixpk= 319, nxpk= 90, iat=1043,1027, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H3'          63 ADE  H1'         6.00    (#     323:90   5.30, 5.30 A)
 &rst
  ixpk= 323, nxpk= 90, iat=1295,1247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THY  H3'          51 ADE  H1'         6.00    (#     323:90  AMB)
 &rst
  ixpk= 323, nxpk= 90, iat= 915, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H3'          65 ADE  H1'         6.00    (#     324:90   5.21, 5.21 A)
 &rst
  ixpk= 324, nxpk= 90, iat=1359,1311, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 THY  H3'          53 ADE  H1'         6.00    (#     324:90  AMB)
 &rst
  ixpk= 324, nxpk= 90, iat= 979, 931, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H3'          66 THY  H1'         6.00    (#     325:90   3.90, 3.90 A)
 &rst
  ixpk= 325, nxpk= 90, iat=1359,1343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 THY  H3'          54 THY  H1'         6.00    (#     325:90  AMB)
 &rst
  ixpk= 325, nxpk= 90, iat= 979, 963, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H3'          62 CYT  H1'         4.90    (#     326:90   3.92, 3.92 A)
 &rst
  ixpk= 326, nxpk= 90, iat=1231,1217, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H3'          50 CYT  H1'         4.90    (#     326:90  AMB)
 &rst
  ixpk= 326, nxpk= 90, iat= 851, 837, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H3'          54 THY  H7          6.00    (#     327:90   5.65, 6.20 A)
 &rst
  ixpk= 327, nxpk= 90, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 969, 970, 971,
 &end
#
#   53 ADE  H3'          54 THY  H7          4.90    (#     328:90   4.86, 5.79 A)
 &rst
  ixpk= 328, nxpk= 90, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 969, 970, 971,
 &end
#
#   65 ADE  H3'          66 THY  H7          4.90    (#     328:90  AMB)
 &rst
  ixpk= 328, nxpk= 90, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1349,1350,1351,
 &end
#
#   56 THY  H3'          56 THY  H7          6.00    (#     329:90   5.85, 6.29 A)
 &rst
  ixpk= 329, nxpk= 90, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1033,1034,1035,
 &end
#
#   55 ADE  H3'          56 THY  H7          4.90    (#     330:90   5.05, 6.10 A)
 &rst
  ixpk= 330, nxpk= 90, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1033,1034,1035,
 &end
#
#   67 ADE  H3'          68 THY  H7          4.90    (#     330:90  AMB)
 &rst
  ixpk= 330, nxpk= 90, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1413,1414,1415,
 &end
#
#   51 ADE  H3'          52 THY  H7          4.90    (#     332:90   3.94, 4.92 A)
 &rst
  ixpk= 332, nxpk= 90, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 905, 906, 907,
 &end
#
#   63 ADE  H3'          64 THY  H7          4.90    (#     332:90  AMB)
 &rst
  ixpk= 332, nxpk= 90, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1285,1286,1287,
 &end
#
#   52 THY  H2'          52 THY  H7          6.00    (#     333:90   4.40, 5.09 A)
 &rst
  ixpk= 333, nxpk= 90, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 905, 906, 907,
 &end
#
#   64 THY  H2'          64 THY  H7          6.00    (#     333:90  AMB)
 &rst
  ixpk= 333, nxpk= 90, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1285,1286,1287,
 &end
#
#   64 THY  H2''         64 THY  H7          6.00    (#     334:90   4.61, 5.20 A)
 &rst
  ixpk= 334, nxpk= 90, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1285,1286,1287,
 &end
#
#   52 THY  H2''         52 THY  H7          6.00    (#     334:90  AMB)
 &rst
  ixpk= 334, nxpk= 90, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 905, 906, 907,
 &end
#
#   63 ADE  H2''         64 THY  H7          3.50    (#     335:90   3.37, 4.23 A)
 &rst
  ixpk= 335, nxpk= 90, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1285,1286,1287,
 &end
#
#   51 ADE  H2''         52 THY  H7          3.50    (#     335:90  AMB)
 &rst
  ixpk= 335, nxpk= 90, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 905, 906, 907,
 &end
#
#   51 ADE  H2'          52 THY  H7          3.50    (#     336:90   1.89, 2.93 A)
 &rst
  ixpk= 336, nxpk= 90, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 905, 906, 907,
 &end
#
#   63 ADE  H2'          64 THY  H7          3.50    (#     336:90  AMB)
 &rst
  ixpk= 336, nxpk= 90, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1285,1286,1287,
 &end
#
#   53 ADE  H2''         54 THY  H7          3.50    (#     337:90   3.61, 4.51 A)
 &rst
  ixpk= 337, nxpk= 90, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 969, 970, 971,
 &end
#
#   65 ADE  H2''         66 THY  H7          3.50    (#     337:90  AMB)
 &rst
  ixpk= 337, nxpk= 90, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1349,1350,1351,
 &end
#
#   67 ADE  H2''         68 THY  H7          3.50    (#     338:90   3.20, 4.05 A)
 &rst
  ixpk= 338, nxpk= 90, iat=1394,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1413,1414,1415,
 &end
#
#   55 ADE  H2''         56 THY  H7          3.50    (#     338:90  AMB)
 &rst
  ixpk= 338, nxpk= 90, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1033,1034,1035,
 &end
#
#   67 ADE  H2'          68 THY  H7          3.50    (#     339:90   1.81, 2.69 A)
 &rst
  ixpk= 339, nxpk= 90, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1413,1414,1415,
 &end
#
#   55 ADE  H2'          56 THY  H7          3.50    (#     339:90  AMB)
 &rst
  ixpk= 339, nxpk= 90, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1033,1034,1035,
 &end
#
#   56 THY  H2''         56 THY  H7          6.00    (#     340:90   5.73, 6.21 A)
 &rst
  ixpk= 340, nxpk= 90, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1033,1034,1035,
 &end
#
#   68 THY  H2''         68 THY  H7          6.00    (#     340:90  AMB)
 &rst
  ixpk= 340, nxpk= 90, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1413,1414,1415,
 &end
#
#   68 THY  H2'          68 THY  H7          6.00    (#     341:90   4.54, 5.10 A)
 &rst
  ixpk= 341, nxpk= 90, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1413,1414,1415,
 &end
#
#   56 THY  H2'          56 THY  H7          6.00    (#     341:90  AMB)
 &rst
  ixpk= 341, nxpk= 90, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1033,1034,1035,
 &end
#
#   54 THY  H2'          54 THY  H7          6.00    (#     342:90   4.82, 5.48 A)
 &rst
  ixpk= 342, nxpk= 90, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 969, 970, 971,
 &end
#
#   66 THY  H2'          66 THY  H7          6.00    (#     342:90  AMB)
 &rst
  ixpk= 342, nxpk= 90, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1349,1350,1351,
 &end
#
#   65 ADE  H2'          66 THY  H7          3.50    (#     344:90   2.48, 3.38 A)
 &rst
  ixpk= 344, nxpk= 90, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1349,1350,1351,
 &end
#
#   53 ADE  H2'          54 THY  H7          3.50    (#     344:90  AMB)
 &rst
  ixpk= 344, nxpk= 90, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 969, 970, 971,
 &end
#
#   50 CYT  H2''         52 THY  H7          6.00    (#     345:90   5.15, 6.08 A)
 &rst
  ixpk= 345, nxpk= 90, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 905, 906, 907,
 &end
#
#   52 THY  H7           51 ADE  H2''        3.50    (#     346:90   3.22, 4.10 A)
 &rst
  ixpk= 346, nxpk= 90, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           63 ADE  H2''        3.50    (#     346:90  AMB)
 &rst
  ixpk= 346, nxpk= 90, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1285,1286,1287,
 &end
#
#   52 THY  H7           51 ADE  H2'         3.50    (#     347:90   1.89, 2.93 A)
 &rst
  ixpk= 347, nxpk= 90, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           63 ADE  H2'         3.50    (#     347:90  AMB)
 &rst
  ixpk= 347, nxpk= 90, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1285,1286,1287,
 &end
#
#   54 THY  H7           53 ADE  H2''        3.50    (#     348:90   3.61, 4.51 A)
 &rst
  ixpk= 348, nxpk= 90, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           65 ADE  H2''        3.50    (#     348:90  AMB)
 &rst
  ixpk= 348, nxpk= 90, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1349,1350,1351,
 &end
#
#   68 THY  H7           67 ADE  H2''        3.50    (#     349:90   3.20, 4.05 A)
 &rst
  ixpk= 349, nxpk= 90, iat=  -1,1394, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           55 ADE  H2''        3.50    (#     349:90  AMB)
 &rst
  ixpk= 349, nxpk= 90, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1033,1034,1035,
 &end
#
#   68 THY  H7           68 THY  H2''        6.00    (#     350:90   5.41, 5.93 A)
 &rst
  ixpk= 350, nxpk= 90, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           56 THY  H2''        6.00    (#     350:90  AMB)
 &rst
  ixpk= 350, nxpk= 90, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1033,1034,1035,
 &end
#
#   54 THY  H7           53 ADE  H2'         3.50    (#     351:90   2.69, 3.66 A)
 &rst
  ixpk= 351, nxpk= 90, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           65 ADE  H2'         3.50    (#     351:90  AMB)
 &rst
  ixpk= 351, nxpk= 90, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1349,1350,1351,
 &end
#
#   54 THY  H7           54 THY  H2'         4.90    (#     352:90   4.82, 5.48 A)
 &rst
  ixpk= 352, nxpk= 90, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           66 THY  H2'         4.90    (#     352:90  AMB)
 &rst
  ixpk= 352, nxpk= 90, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1349,1350,1351,
 &end
#
#   68 THY  H7           67 ADE  H2'         4.90    (#     354:90   1.81, 2.69 A)
 &rst
  ixpk= 354, nxpk= 90, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           55 ADE  H2'         4.90    (#     354:90  AMB)
 &rst
  ixpk= 354, nxpk= 90, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1033,1034,1035,
 &end
#
#   68 THY  H7           68 THY  H2'         4.90    (#     355:90   4.54, 5.10 A)
 &rst
  ixpk= 355, nxpk= 90, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           56 THY  H2'         4.90    (#     355:90  AMB)
 &rst
  ixpk= 355, nxpk= 90, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1033,1034,1035,
 &end
#
#   52 THY  H7           52 THY  H2'         6.00    (#     356:90   4.40, 5.09 A)
 &rst
  ixpk= 356, nxpk= 90, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           64 THY  H2'         6.00    (#     356:90  AMB)
 &rst
  ixpk= 356, nxpk= 90, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1285,1286,1287,
 &end
#
#   52 THY  H7           52 THY  H2''        4.90    (#     357:90   5.50, 6.01 A)
 &rst
  ixpk= 357, nxpk= 90, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           64 THY  H2''        4.90    (#     357:90  AMB)
 &rst
  ixpk= 357, nxpk= 90, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1285,1286,1287,
 &end
#
#   52 THY  H7           50 CYT  H2''        6.00    (#     358:90   5.15, 6.08 A)
 &rst
  ixpk= 358, nxpk= 90, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 905, 906, 907,
 &end
#
#   60 CYT  H5'          60 CYT  H6          4.90    (#     359:90   4.21, 4.21 A)
 &rst
  ixpk= 359, nxpk= 90, iat=1148,1157, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H5'          48 CYT  H6          4.90    (#     359:90  AMB)
 &rst
  ixpk= 359, nxpk= 90, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H4'          51 ADE  H8          6.00    (#     362:90   4.66, 4.66 A)
 &rst
  ixpk= 362, nxpk= 90, iat= 864, 870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ADE  H4'          63 ADE  H8          6.00    (#     362:90  AMB)
 &rst
  ixpk= 362, nxpk= 90, iat=1244,1250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ADE  H5'          68 THY  H6          6.00    (#     364:90   5.85, 5.85 A)
 &rst
  ixpk= 364, nxpk= 90, iat=1369,1410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H4'          57 GUA  H8          6.00    (#     365:90   5.24, 5.24 A)
 &rst
  ixpk= 365, nxpk= 90, iat=1056,1062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H4'          69 GUA  H8          6.00    (#     365:90  AMB)
 &rst
  ixpk= 365, nxpk= 90, iat=1436,1442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 GUA  H4'          59 GUA  H8          4.90    (#     366:90   4.88, 4.88 A)
 &rst
  ixpk= 366, nxpk= 90, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H4'          71 GUA  H8          4.90    (#     366:90  AMB)
 &rst
  ixpk= 366, nxpk= 90, iat=1499,1505, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   55 ADE  H5'          55 ADE  H8          4.90    (#     370:90   4.89, 4.89 A)
 &rst
  ixpk= 370, nxpk= 90, iat= 989, 998, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H5'          67 ADE  H8          4.90    (#     370:90  AMB)
 &rst
  ixpk= 370, nxpk= 90, iat=1369,1378, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H4'          58 CYT  H6          4.90    (#     371:90   4.52, 4.52 A)
 &rst
  ixpk= 371, nxpk= 90, iat=1089,1095, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H4'          70 CYT  H6          4.90    (#     371:90  AMB)
 &rst
  ixpk= 371, nxpk= 90, iat=1469,1475, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H4'          58 CYT  H1'         3.50    (#     374:90   3.25, 3.25 A)
 &rst
  ixpk= 374, nxpk= 90, iat=1089,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H4'          70 CYT  H1'         3.50    (#     374:90  AMB)
 &rst
  ixpk= 374, nxpk= 90, iat=1469,1472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H4'          59 GUA  H1'         3.50    (#     375:90   2.81, 2.81 A)
 &rst
  ixpk= 375, nxpk= 90, iat=1119,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H4'          71 GUA  H1'         3.50    (#     375:90  AMB)
 &rst
  ixpk= 375, nxpk= 90, iat=1499,1502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H4'          50 CYT  H1'         4.90    (#     376:90   5.07, 5.07 A)
 &rst
  ixpk= 376, nxpk= 90, iat= 864, 837, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H4'          62 CYT  H1'         4.90    (#     376:90  AMB)
 &rst
  ixpk= 376, nxpk= 90, iat=1244,1217, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H4'          48 CYT  H1'         3.50    (#     380:90   2.59, 2.59 A)
 &rst
  ixpk= 380, nxpk= 90, iat= 771, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H4'          60 CYT  H1'         3.50    (#     380:90  AMB)
 &rst
  ixpk= 380, nxpk= 90, iat=1151,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H5'          60 CYT  H1'         6.00    (#     381:90   4.51, 4.51 A)
 &rst
  ixpk= 381, nxpk= 90, iat=1148,1154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H5'          48 CYT  H1'         6.00    (#     381:90  AMB)
 &rst
  ixpk= 381, nxpk= 90, iat= 768, 774, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H2''         48 CYT  H5'         6.00    (#     389:90   4.84, 4.84 A)
 &rst
  ixpk= 389, nxpk= 90, iat= 791, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 CYT  H2''         60 CYT  H5'         6.00    (#     389:90  AMB)
 &rst
  ixpk= 389, nxpk= 90, iat=1171,1148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H2''         48 CYT  H4'         4.90    (#     390:90   2.76, 2.76 A)
 &rst
  ixpk= 390, nxpk= 90, iat= 791, 771, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H2''         60 CYT  H4'         4.90    (#     390:90  AMB)
 &rst
  ixpk= 390, nxpk= 90, iat=1171,1151, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H2'          60 CYT  H4'         6.00    (#     391:90   4.04, 4.04 A)
 &rst
  ixpk= 391, nxpk= 90, iat=1170,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H2'          48 CYT  H4'         6.00    (#     391:90  AMB)
 &rst
  ixpk= 391, nxpk= 90, iat= 790, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H2''         63 ADE  H4'         6.00    (#     392:90   4.17, 4.17 A)
 &rst
  ixpk= 392, nxpk= 90, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H2''         51 ADE  H4'         6.00    (#     392:90  AMB)
 &rst
  ixpk= 392, nxpk= 90, iat= 854, 864, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H2'          70 CYT  H4'         6.00    (#     393:90   4.11, 4.11 A)
 &rst
  ixpk= 393, nxpk= 90, iat=1488,1469, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H2'          58 CYT  H4'         6.00    (#     393:90  AMB)
 &rst
  ixpk= 393, nxpk= 90, iat=1108,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H2''         58 CYT  H4'         6.00    (#     394:90   3.73, 3.73 A)
 &rst
  ixpk= 394, nxpk= 90, iat=1109,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H2''         70 CYT  H4'         6.00    (#     394:90  AMB)
 &rst
  ixpk= 394, nxpk= 90, iat=1489,1469, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 GUA  H2'          59 GUA  H4'         6.00    (#     395:90   4.00, 4.00 A)
 &rst
  ixpk= 395, nxpk= 90, iat=1141,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 GUA  H2'          71 GUA  H4'         6.00    (#     395:90  AMB)
 &rst
  ixpk= 395, nxpk= 90, iat=1521,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 GUA  H3'          71 GUA  H2'         3.50    (#     399:90   2.38, 2.38 A)
 &rst
  ixpk= 399, nxpk= 90, iat=1519,1521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H3'          59 GUA  H2'         3.50    (#     399:90  AMB)
 &rst
  ixpk= 399, nxpk= 90, iat=1139,1141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H3'          71 GUA  H2''        3.50    (#     400:90   3.01, 3.01 A)
 &rst
  ixpk= 400, nxpk= 90, iat=1519,1522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H3'          59 GUA  H2''        3.50    (#     400:90  AMB)
 &rst
  ixpk= 400, nxpk= 90, iat=1139,1142, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H3'          60 CYT  H2''        3.50    (#     401:90   2.88, 2.88 A)
 &rst
  ixpk= 401, nxpk= 90, iat=1168,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H3'          48 CYT  H2''        3.50    (#     401:90  AMB)
 &rst
  ixpk= 401, nxpk= 90, iat= 788, 791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H3'          61 GUA  H2''        3.50    (#     402:90   2.80, 2.80 A)
 &rst
  ixpk= 402, nxpk= 90, iat=1201,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 GUA  H3'          49 GUA  H2''        3.50    (#     402:90  AMB)
 &rst
  ixpk= 402, nxpk= 90, iat= 821, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GUA  H3'          61 GUA  H2'         2.60    (#     403:90   2.31, 2.31 A)
 &rst
  ixpk= 403, nxpk= 90, iat=1201,1203, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   49 GUA  H3'          49 GUA  H2'         2.60    (#     403:90  AMB)
 &rst
  ixpk= 403, nxpk= 90, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   62 CYT  H3'          62 CYT  H2''        3.50    (#     404:90   3.03, 3.03 A)
 &rst
  ixpk= 404, nxpk= 90, iat=1231,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H3'          50 CYT  H2''        3.50    (#     404:90  AMB)
 &rst
  ixpk= 404, nxpk= 90, iat= 851, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H3'          62 CYT  H2'         3.50    (#     405:90   2.41, 2.41 A)
 &rst
  ixpk= 405, nxpk= 90, iat=1231,1233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H3'          50 CYT  H2'         3.50    (#     405:90  AMB)
 &rst
  ixpk= 405, nxpk= 90, iat= 851, 853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H3'          51 ADE  H2''        3.50    (#     406:90   2.94, 2.94 A)
 &rst
  ixpk= 406, nxpk= 90, iat= 883, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ADE  H3'          63 ADE  H2''        3.50    (#     406:90  AMB)
 &rst
  ixpk= 406, nxpk= 90, iat=1263,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H3'          51 ADE  H2'         2.60    (#     407:90   2.25, 2.25 A)
 &rst
  ixpk= 407, nxpk= 90, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   63 ADE  H3'          63 ADE  H2'         2.60    (#     407:90  AMB)
 &rst
  ixpk= 407, nxpk= 90, iat=1263,1265, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   64 THY  H3'          64 THY  H2'         3.50    (#     408:90   2.33, 2.33 A)
 &rst
  ixpk= 408, nxpk= 90, iat=1295,1297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 THY  H3'          52 THY  H2'         3.50    (#     408:90  AMB)
 &rst
  ixpk= 408, nxpk= 90, iat= 915, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H3'          53 ADE  H2''        3.50    (#     410:90   2.89, 2.89 A)
 &rst
  ixpk= 410, nxpk= 90, iat= 947, 950, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H3'          65 ADE  H2''        3.50    (#     410:90  AMB)
 &rst
  ixpk= 410, nxpk= 90, iat=1327,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ADE  H3'          55 ADE  H2'         2.60    (#     411:90   2.26, 2.26 A)
 &rst
  ixpk= 411, nxpk= 90, iat=1011,1013, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   67 ADE  H3'          67 ADE  H2'         2.60    (#     411:90  AMB)
 &rst
  ixpk= 411, nxpk= 90, iat=1391,1393, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   66 THY  H3'          66 THY  H2'         3.50    (#     412:90   2.30, 2.30 A)
 &rst
  ixpk= 412, nxpk= 90, iat=1359,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H3'          54 THY  H2'         3.50    (#     412:90  AMB)
 &rst
  ixpk= 412, nxpk= 90, iat= 979, 981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 THY  H3'          68 THY  H2'         3.50    (#     413:90   2.25, 2.25 A)
 &rst
  ixpk= 413, nxpk= 90, iat=1423,1425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 THY  H3'          56 THY  H2'         3.50    (#     413:90  AMB)
 &rst
  ixpk= 413, nxpk= 90, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H3'          69 GUA  H2'         2.60    (#     416:90   2.26, 2.26 A)
 &rst
  ixpk= 416, nxpk= 90, iat=1456,1458, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   57 GUA  H3'          57 GUA  H2'         2.60    (#     416:90  AMB)
 &rst
  ixpk= 416, nxpk= 90, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   60 CYT  H3'          60 CYT  H2'         2.60    (#     417:90   2.31, 2.31 A)
 &rst
  ixpk= 417, nxpk= 90, iat=1168,1170, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   48 CYT  H3'          48 CYT  H2'         2.60    (#     417:90  AMB)
 &rst
  ixpk= 417, nxpk= 90, iat= 788, 790, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   61 GUA  H3'          60 CYT  H2''        6.00    (#     418:90   6.50, 6.50 A)
 &rst
  ixpk= 418, nxpk= 90, iat=1201,1171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H3'          48 CYT  H2''        6.00    (#     418:90  AMB)
 &rst
  ixpk= 418, nxpk= 90, iat= 821, 791, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 THY  H3'          65 ADE  H2''        4.90    (#     419:90   3.75, 3.75 A)
 &rst
  ixpk= 419, nxpk= 90, iat=1359,1330, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H3'          53 ADE  H2''        4.90    (#     419:90  AMB)
 &rst
  ixpk= 419, nxpk= 90, iat= 979, 950, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H4'          58 CYT  H2'         4.90    (#     421:90   4.07, 4.07 A)
 &rst
  ixpk= 421, nxpk= 90, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H4'          70 CYT  H2'         4.90    (#     421:90  AMB)
 &rst
  ixpk= 421, nxpk= 90, iat=1469,1488, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H4'          58 CYT  H2''        4.90    (#     422:90   3.73, 3.73 A)
 &rst
  ixpk= 422, nxpk= 90, iat=1089,1109, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   70 CYT  H4'          70 CYT  H2''        4.90    (#     422:90  AMB)
 &rst
  ixpk= 422, nxpk= 90, iat=1469,1489, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   59 GUA  H4'          59 GUA  H2''        4.90    (#     423:90   3.14, 3.14 A)
 &rst
  ixpk= 423, nxpk= 90, iat=1119,1142, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H4'          71 GUA  H2''        4.90    (#     423:90  AMB)
 &rst
  ixpk= 423, nxpk= 90, iat=1499,1522, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   59 GUA  H4'          59 GUA  H2'         4.90    (#     424:90   4.00, 4.00 A)
 &rst
  ixpk= 424, nxpk= 90, iat=1119,1141, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H4'          71 GUA  H2'         4.90    (#     424:90  AMB)
 &rst
  ixpk= 424, nxpk= 90, iat=1499,1521, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H5'          60 CYT  H2''        6.00    (#     425:90   4.80, 4.80 A)
 &rst
  ixpk= 425, nxpk= 90, iat=1148,1171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H5'          48 CYT  H2''        6.00    (#     425:90  AMB)
 &rst
  ixpk= 425, nxpk= 90, iat= 768, 791, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 CYT  H5'          60 CYT  H2'         4.90    (#     426:90   4.09, 4.09 A)
 &rst
  ixpk= 426, nxpk= 90, iat=1148,1170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H5'          48 CYT  H2'         4.90    (#     426:90  AMB)
 &rst
  ixpk= 426, nxpk= 90, iat= 768, 790, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H4'          48 CYT  H2'         4.90    (#     427:90   3.87, 3.87 A)
 &rst
  ixpk= 427, nxpk= 90, iat= 771, 790, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H4'          60 CYT  H2'         4.90    (#     427:90  AMB)
 &rst
  ixpk= 427, nxpk= 90, iat=1151,1170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H4'          48 CYT  H2''        4.90    (#     428:90   2.76, 2.76 A)
 &rst
  ixpk= 428, nxpk= 90, iat= 771, 791, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H4'          60 CYT  H2''        4.90    (#     428:90  AMB)
 &rst
  ixpk= 428, nxpk= 90, iat=1151,1171, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   51 ADE  H4'          50 CYT  H2'         6.00    (#     429:90   5.95, 5.95 A)
 &rst
  ixpk= 429, nxpk= 90, iat= 864, 853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ADE  H4'          62 CYT  H2'         6.00    (#     429:90  AMB)
 &rst
  ixpk= 429, nxpk= 90, iat=1244,1233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ADE  H5'          55 ADE  H2''        6.00    (#     439:90   5.22, 5.22 A)
 &rst
  ixpk= 439, nxpk= 90, iat= 989,1014, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ADE  H5'          67 ADE  H2''        6.00    (#     439:90  AMB)
 &rst
  ixpk= 439, nxpk= 90, iat=1369,1394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H4'          50 CYT  H2''        4.90    (#     440:90   4.41, 4.41 A)
 &rst
  ixpk= 440, nxpk= 90, iat= 864, 854, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H4'          62 CYT  H2''        4.90    (#     440:90  AMB)
 &rst
  ixpk= 440, nxpk= 90, iat=1244,1234, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H6           48 CYT  H5'         4.90    (#     443:90   5.34, 5.34 A)
 &rst
  ixpk= 443, nxpk= 90, iat= 777, 768, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H6           60 CYT  H5'         4.90    (#     443:90  AMB)
 &rst
  ixpk= 443, nxpk= 90, iat=1157,1148, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 CYT  H6           48 CYT  H4'         6.00    (#     444:90   4.74, 4.74 A)
 &rst
  ixpk= 444, nxpk= 90, iat= 777, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 CYT  H6           60 CYT  H4'         6.00    (#     444:90  AMB)
 &rst
  ixpk= 444, nxpk= 90, iat=1157,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ADE  H8           55 ADE  H5'         6.00    (#     445:90   4.89, 4.89 A)
 &rst
  ixpk= 445, nxpk= 90, iat= 998, 989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ADE  H8           67 ADE  H5'         6.00    (#     445:90  AMB)
 &rst
  ixpk= 445, nxpk= 90, iat=1378,1369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H8           48 CYT  H4'         6.00    (#     446:90   4.75, 4.75 A)
 &rst
  ixpk= 446, nxpk= 90, iat= 807, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H8           60 CYT  H4'         6.00    (#     446:90  AMB)
 &rst
  ixpk= 446, nxpk= 90, iat=1187,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 GUA  H8           59 GUA  H4'         6.00    (#     447:90   4.88, 4.88 A)
 &rst
  ixpk= 447, nxpk= 90, iat=1125,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 GUA  H8           71 GUA  H4'         6.00    (#     447:90  AMB)
 &rst
  ixpk= 447, nxpk= 90, iat=1505,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H6           58 CYT  H4'         6.00    (#     448:90   4.52, 4.52 A)
 &rst
  ixpk= 448, nxpk= 90, iat=1095,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H6           70 CYT  H4'         6.00    (#     448:90  AMB)
 &rst
  ixpk= 448, nxpk= 90, iat=1475,1469, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 CYT  H1'          48 CYT  H4'         3.50    (#     450:90   2.59, 2.59 A)
 &rst
  ixpk= 450, nxpk= 90, iat= 774, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H1'          60 CYT  H4'         3.50    (#     450:90  AMB)
 &rst
  ixpk= 450, nxpk= 90, iat=1154,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H1'          48 CYT  H5'         6.00    (#     451:90   4.40, 4.40 A)
 &rst
  ixpk= 451, nxpk= 90, iat= 774, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 CYT  H1'          60 CYT  H5'         6.00    (#     451:90  AMB)
 &rst
  ixpk= 451, nxpk= 90, iat=1154,1148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H1'          70 CYT  H4'         3.50    (#     455:90   3.45, 3.45 A)
 &rst
  ixpk= 455, nxpk= 90, iat=1472,1469, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 CYT  H1'          58 CYT  H4'         3.50    (#     455:90  AMB)
 &rst
  ixpk= 455, nxpk= 90, iat=1092,1089, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H1'          63 ADE  H4'         4.90    (#     457:90   5.48, 5.48 A)
 &rst
  ixpk= 457, nxpk= 90, iat=1217,1244, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   50 CYT  H1'          51 ADE  H4'         4.90    (#     457:90  AMB)
 &rst
  ixpk= 457, nxpk= 90, iat= 837, 864, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   59 GUA  H1'          59 GUA  H4'         4.90    (#     460:90   2.81, 2.81 A)
 &rst
  ixpk= 460, nxpk= 90, iat=1122,1119, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H1'          71 GUA  H4'         4.90    (#     460:90  AMB)
 &rst
  ixpk= 460, nxpk= 90, iat=1502,1499, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   71 GUA  H5''         71 GUA  H4'         3.50    (#     463:90   2.53, 2.53 A)
 &rst
  ixpk= 463, nxpk= 90, iat=1497,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GUA  H5''         59 GUA  H4'         3.50    (#     463:90  AMB)
 &rst
  ixpk= 463, nxpk= 90, iat=1117,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GUA  H3'          71 GUA  H4'         4.90    (#     464:90   3.08, 3.08 A)
 &rst
  ixpk= 464, nxpk= 90, iat=1519,1499, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   59 GUA  H3'          59 GUA  H4'         4.90    (#     464:90  AMB)
 &rst
  ixpk= 464, nxpk= 90, iat=1139,1119, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 CYT  H3'          60 CYT  H4'         3.50    (#     465:90   2.78, 2.78 A)
 &rst
  ixpk= 465, nxpk= 90, iat=1168,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H3'          48 CYT  H4'         3.50    (#     465:90  AMB)
 &rst
  ixpk= 465, nxpk= 90, iat= 788, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H4'          48 CYT  H5''        2.40    (#     466:90   2.59, 2.59 A)
 &rst
  ixpk= 466, nxpk= 90, iat= 771, 769, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   60 CYT  H4'          60 CYT  H5''        2.40    (#     466:90  AMB)
 &rst
  ixpk= 466, nxpk= 90, iat=1151,1149, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   60 CYT  H3'          60 CYT  H5'         3.50    (#     467:90   3.73, 3.73 A)
 &rst
  ixpk= 467, nxpk= 90, iat=1168,1148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 CYT  H3'          48 CYT  H5'         3.50    (#     467:90  AMB)
 &rst
  ixpk= 467, nxpk= 90, iat= 788, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 CYT  H5'          60 CYT  H4'         2.60    (#     468:90   2.58, 2.58 A)
 &rst
  ixpk= 468, nxpk= 90, iat=1148,1151, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   48 CYT  H5'          48 CYT  H4'         2.60    (#     468:90  AMB)
 &rst
  ixpk= 468, nxpk= 90, iat= 768, 771, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   58 CYT  H6           58 CYT  H42         6.00    (#     469:90   4.58, 4.58 A)
 &rst
  ixpk= 469, nxpk= 90, iat=1095,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H6           70 CYT  H42         6.00    (#     469:90  AMB)
 &rst
  ixpk= 469, nxpk= 90, iat=1475,1481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H42          58 CYT  H6          6.00    (#     470:90   4.58, 4.58 A)
 &rst
  ixpk= 470, nxpk= 90, iat=1101,1095, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H42          70 CYT  H6          6.00    (#     470:90  AMB)
 &rst
  ixpk= 470, nxpk= 90, iat=1481,1475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H41          58 CYT  H5          6.00    (#     473:90   3.67, 3.67 A)
 &rst
  ixpk= 473, nxpk= 90, iat=1100,1097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H41          70 CYT  H5          6.00    (#     473:90  AMB)
 &rst
  ixpk= 473, nxpk= 90, iat=1480,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ADE  H2           64 THY  H3          4.90    (#     474:90   2.84, 2.84 A)
 &rst
  ixpk= 474, nxpk= 90, iat=1007,1291, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H2           52 THY  H3          4.90    (#     474:90  AMB)
 &rst
  ixpk= 474, nxpk= 90, iat=1387, 911, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H2           56 THY  H3          3.50    (#     475:90   3.04, 3.04 A)
 &rst
  ixpk= 475, nxpk= 90, iat=1259,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ADE  H2           68 THY  H3          3.50    (#     475:90  AMB)
 &rst
  ixpk= 475, nxpk= 90, iat= 879,1419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ADE  H2           56 THY  H3          6.00    (#     476:90   3.89, 3.89 A)
 &rst
  ixpk= 476, nxpk= 90, iat=1007,1039, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ADE  H2           68 THY  H3          6.00    (#     476:90  AMB)
 &rst
  ixpk= 476, nxpk= 90, iat=1387,1419, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H41          69 GUA  H1          6.00    (#     477:90   2.13, 2.13 A)
 &rst
  ixpk= 477, nxpk= 90, iat= 845,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H41          57 GUA  H1          6.00    (#     477:90  AMB)
 &rst
  ixpk= 477, nxpk= 90, iat=1225,1068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ADE  H2           57 GUA  H1          6.00    (#     478:90   4.00, 4.00 A)
 &rst
  ixpk= 478, nxpk= 90, iat=1259,1068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H2           69 GUA  H1          6.00    (#     478:90  AMB)
 &rst
  ixpk= 478, nxpk= 90, iat= 879,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H42          57 GUA  H1          6.00    (#     479:90   4.64, 4.64 A)
 &rst
  ixpk= 479, nxpk= 90, iat=1226,1068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H42          69 GUA  H1          6.00    (#     479:90  AMB)
 &rst
  ixpk= 479, nxpk= 90, iat= 846,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H5           57 GUA  H1          6.00    (#     480:90   5.26, 5.26 A)
 &rst
  ixpk= 480, nxpk= 90, iat=1222,1068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H5           69 GUA  H1          6.00    (#     480:90  AMB)
 &rst
  ixpk= 480, nxpk= 90, iat= 842,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H6           57 GUA  H1          6.00    (#     482:90   5.45, 5.45 A)
 &rst
  ixpk= 482, nxpk= 90, iat=1220,1068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 CYT  H6           69 GUA  H1          6.00    (#     482:90  AMB)
 &rst
  ixpk= 482, nxpk= 90, iat= 840,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H1           57 GUA  H1          6.00    (#     483:90   3.48, 3.48 A)
 &rst
  ixpk= 483, nxpk= 90, iat=1193,1068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H1           69 GUA  H1          6.00    (#     483:90  AMB)
 &rst
  ixpk= 483, nxpk= 90, iat= 813,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H3           69 GUA  H1          6.00    (#     484:90   3.57, 3.57 A)
 &rst
  ixpk= 484, nxpk= 90, iat=1419,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 THY  H3           57 GUA  H1          6.00    (#     484:90  AMB)
 &rst
  ixpk= 484, nxpk= 90, iat=1039,1068, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H1           68 THY  H3          6.00    (#     485:90   3.57, 3.57 A)
 &rst
  ixpk= 485, nxpk= 90, iat=1448,1419, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H1           56 THY  H3          6.00    (#     485:90  AMB)
 &rst
  ixpk= 485, nxpk= 90, iat=1068,1039, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H1           49 GUA  H1          6.00    (#     487:90   3.42, 3.42 A)
 &rst
  ixpk= 487, nxpk= 90, iat=1448, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H1           61 GUA  H1          6.00    (#     487:90  AMB)
 &rst
  ixpk= 487, nxpk= 90, iat=1068,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H42          61 GUA  H1          6.00    (#     488:90   4.53, 4.53 A)
 &rst
  ixpk= 488, nxpk= 90, iat=1101,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H42          59 GUA  H1          6.00    (#     488:90  AMB)
 &rst
  ixpk= 488, nxpk= 90, iat=1101,1131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H42          71 GUA  H1          6.00    (#     488:90  AMB)
 &rst
  ixpk= 488, nxpk= 90, iat=1481,1511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H42          49 GUA  H1          6.00    (#     488:90  AMB)
 &rst
  ixpk= 488, nxpk= 90, iat=1481, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ADE  H2           64 THY  H3          6.00    (#     489:90   4.10, 4.10 A)
 &rst
  ixpk= 489, nxpk= 90, iat=1259,1291, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H2           52 THY  H3          6.00    (#     489:90  AMB)
 &rst
  ixpk= 489, nxpk= 90, iat= 879, 911, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H41          61 GUA  H1          6.00    (#     490:90   3.13, 3.13 A)
 &rst
  ixpk= 490, nxpk= 90, iat=1100,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H41          59 GUA  H1          6.00    (#     490:90  AMB)
 &rst
  ixpk= 490, nxpk= 90, iat=1100,1131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H41          71 GUA  H1          6.00    (#     490:90  AMB)
 &rst
  ixpk= 490, nxpk= 90, iat=1480,1511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H41          49 GUA  H1          6.00    (#     490:90  AMB)
 &rst
  ixpk= 490, nxpk= 90, iat=1480, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           61 GUA  H1          6.00    (#     493:90   5.23, 5.23 A)
 &rst
  ixpk= 493, nxpk= 90, iat=1097,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           59 GUA  H1          6.00    (#     493:90  AMB)
 &rst
  ixpk= 493, nxpk= 90, iat=1097,1131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H5           49 GUA  H1          6.00    (#     493:90  AMB)
 &rst
  ixpk= 493, nxpk= 90, iat=1477, 813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H7           68 THY  H3          6.00    (#     494:90   4.66, 5.10 A)
 &rst
  ixpk= 494, nxpk= 90, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1413,1414,1415,
 &end
#
#   56 THY  H7           56 THY  H3          6.00    (#     494:90  AMB)
 &rst
  ixpk= 494, nxpk= 90, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1033,1034,1035,
 &end
#
#   64 THY  H7           54 THY  H3          8.00    (#     496:90   5.47, 6.16 A)
 &rst
  ixpk= 496, nxpk= 90, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1285,1286,1287,
 &end
#
#   54 THY  H7           54 THY  H3          6.00    (#     497:90   4.69, 5.11 A)
 &rst
  ixpk= 497, nxpk= 90, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           66 THY  H3          6.00    (#     497:90  AMB)
 &rst
  ixpk= 497, nxpk= 90, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1349,1350,1351,
 &end
#
#   52 THY  H7           52 THY  H3          6.00    (#     498:90   4.69, 5.10 A)
 &rst
  ixpk= 498, nxpk= 90, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 905, 906, 907,
 &end
#
#   64 THY  H7           64 THY  H3          6.00    (#     498:90  AMB)
 &rst
  ixpk= 498, nxpk= 90, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1285,1286,1287,
 &end
#
#   68 THY  H3           51 ADE  H2          3.50    (#     500:90   3.06, 3.06 A)
 &rst
  ixpk= 500, nxpk= 90, iat=1419, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 THY  H3           63 ADE  H2          3.50    (#     500:90  AMB)
 &rst
  ixpk= 500, nxpk= 90, iat=1039,1259, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 GUA  H1           51 ADE  H2          6.00    (#     501:90   4.14, 4.14 A)
 &rst
  ixpk= 501, nxpk= 90, iat=1448, 879, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H1           63 ADE  H2          6.00    (#     501:90  AMB)
 &rst
  ixpk= 501, nxpk= 90, iat=1068,1259, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THY  H3           67 ADE  H2          4.90    (#     502:90   2.43, 2.43 A)
 &rst
  ixpk= 502, nxpk= 90, iat= 911,1387, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H3           55 ADE  H2          4.90    (#     502:90  AMB)
 &rst
  ixpk= 502, nxpk= 90, iat=1291,1007, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H3           65 ADE  H2          4.90    (#     503:90   3.67, 3.67 A)
 &rst
  ixpk= 503, nxpk= 90, iat=1355,1323, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H3           53 ADE  H2          4.90    (#     503:90  AMB)
 &rst
  ixpk= 503, nxpk= 90, iat=1355, 943, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H3           65 ADE  H2          4.90    (#     503:90  AMB)
 &rst
  ixpk= 503, nxpk= 90, iat= 975,1323, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H3           53 ADE  H2          4.90    (#     503:90  AMB)
 &rst
  ixpk= 503, nxpk= 90, iat= 975, 943, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   69 GUA  H1           50 CYT  H42         6.00    (#     504:90   3.63, 3.63 A)
 &rst
  ixpk= 504, nxpk= 90, iat=1448, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H1           62 CYT  H42         6.00    (#     504:90  AMB)
 &rst
  ixpk= 504, nxpk= 90, iat=1068,1226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 GUA  H1           50 CYT  H41         6.00    (#     505:90   2.13, 2.13 A)
 &rst
  ixpk= 505, nxpk= 90, iat=1448, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GUA  H1           62 CYT  H41         6.00    (#     505:90  AMB)
 &rst
  ixpk= 505, nxpk= 90, iat=1068,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ADE  H2           63 ADE  H2          4.90    (#     506:90   4.39, 4.39 A)
 &rst
  ixpk= 506, nxpk= 90, iat=1007,1259, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H2           51 ADE  H2          4.90    (#     506:90  AMB)
 &rst
  ixpk= 506, nxpk= 90, iat=1387, 879, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   63 ADE  H2           55 ADE  H2          6.00    (#     507:90   4.39, 4.39 A)
 &rst
  ixpk= 507, nxpk= 90, iat=1259,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 ADE  H2           67 ADE  H2          6.00    (#     507:90  AMB)
 &rst
  ixpk= 507, nxpk= 90, iat= 879,1387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ADE  H2           65 ADE  H2          3.50    (#     508:90   3.45, 3.45 A)
 &rst
  ixpk= 508, nxpk= 90, iat=1007,1323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ADE  H2           53 ADE  H2          3.50    (#     508:90  AMB)
 &rst
  ixpk= 508, nxpk= 90, iat=1387, 943, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H2           55 ADE  H2          3.50    (#     509:90   3.45, 3.45 A)
 &rst
  ixpk= 509, nxpk= 90, iat=1323,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H2           67 ADE  H2          3.50    (#     509:90  AMB)
 &rst
  ixpk= 509, nxpk= 90, iat= 943,1387, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H2           66 THY  H3          4.90    (#     510:90   3.67, 3.67 A)
 &rst
  ixpk= 510, nxpk= 90, iat=1323,1355, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H2           54 THY  H3          4.90    (#     510:90  AMB)
 &rst
  ixpk= 510, nxpk= 90, iat=1323, 975, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H2           66 THY  H3          4.90    (#     510:90  AMB)
 &rst
  ixpk= 510, nxpk= 90, iat= 943,1355, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H2           54 THY  H3          4.90    (#     510:90  AMB)
 &rst
  ixpk= 510, nxpk= 90, iat= 943, 975, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   61 GUA  H1           58 CYT  H42         6.00    (#     511:90   4.53, 4.53 A)
 &rst
  ixpk= 511, nxpk= 90, iat=1193,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 GUA  H1           58 CYT  H42         6.00    (#     511:90  AMB)
 &rst
  ixpk= 511, nxpk= 90, iat=1131,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 GUA  H1           70 CYT  H42         6.00    (#     511:90  AMB)
 &rst
  ixpk= 511, nxpk= 90, iat=1511,1481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H1           70 CYT  H42         6.00    (#     511:90  AMB)
 &rst
  ixpk= 511, nxpk= 90, iat= 813,1481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GUA  H1           58 CYT  H41         6.00    (#     512:90   3.13, 3.13 A)
 &rst
  ixpk= 512, nxpk= 90, iat=1193,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 GUA  H1           58 CYT  H41         6.00    (#     512:90  AMB)
 &rst
  ixpk= 512, nxpk= 90, iat=1131,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 GUA  H1           70 CYT  H41         6.00    (#     512:90  AMB)
 &rst
  ixpk= 512, nxpk= 90, iat=1511,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 GUA  H1           70 CYT  H41         6.00    (#     512:90  AMB)
 &rst
  ixpk= 512, nxpk= 90, iat= 813,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THY  H3           51 ADE  H2          6.00    (#     513:90   4.56, 4.56 A)
 &rst
  ixpk= 513, nxpk= 90, iat= 911, 879, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 THY  H3           63 ADE  H2          6.00    (#     513:90  AMB)
 &rst
  ixpk= 513, nxpk= 90, iat=1291,1259, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 THY  H3           67 ADE  H2          6.00    (#     514:90   3.58, 3.58 A)
 &rst
  ixpk= 514, nxpk= 90, iat=1419,1387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 THY  H3           55 ADE  H2          6.00    (#     514:90  AMB)
 &rst
  ixpk= 514, nxpk= 90, iat=1039,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 CYT  H5           58 CYT  H41         3.50    (#     543:90   3.67, 3.67 A)
 &rst
  ixpk= 543, nxpk= 90, iat=1097,1100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 CYT  H5           70 CYT  H41         3.50    (#     543:90  AMB)
 &rst
  ixpk= 543, nxpk= 90, iat=1477,1480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 CYT  H5           62 CYT  H41         3.50    (#     544:90   3.73, 3.73 A)
 &rst
  ixpk= 544, nxpk= 90, iat=1222,1225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H5           50 CYT  H41         3.50    (#     544:90  AMB)
 &rst
  ixpk= 544, nxpk= 90, iat= 842, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 CYT  H41          50 CYT  H5          6.00    (#     545:90   3.70, 3.70 A)
 &rst
  ixpk= 545, nxpk= 90, iat= 845, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 CYT  H41          62 CYT  H5          6.00    (#     545:90  AMB)
 &rst
  ixpk= 545, nxpk= 90, iat=1225,1222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYT  H1'          71 GUA  H8          4.90    (#     547:90   2.92, 2.92 A)
 &rst
  ixpk= 547, nxpk= 90, iat=1472,1505, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   58 CYT  H1'          59 GUA  H8          4.90    (#     547:90  AMB)
 &rst
  ixpk= 547, nxpk= 90, iat=1092,1125, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H2''         53 ADE  H8          3.50    (#     548:90   3.74, 3.74 A)
 &rst
  ixpk= 548, nxpk= 90, iat= 950, 934, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ADE  H2''         65 ADE  H8          3.50    (#     548:90  AMB)
 &rst
  ixpk= 548, nxpk= 90, iat=1330,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 THY  H1'          63 ADE  H1'         6.00    (#     551:90   4.32, 4.32 A)
 &rst
  ixpk= 551, nxpk= 90, iat=1279,1247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THY  H1'          51 ADE  H1'         6.00    (#     551:90  AMB)
 &rst
  ixpk= 551, nxpk= 90, iat= 899, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ADE  H3'          55 ADE  H2''        3.50    (#     552:90   2.86, 2.86 A)
 &rst
  ixpk= 552, nxpk= 90, iat=1011,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ADE  H3'          67 ADE  H2''        3.50    (#     552:90  AMB)
 &rst
  ixpk= 552, nxpk= 90, iat=1391,1394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THY  H2'          54 THY  H6          3.50    (#     554:90   2.98, 2.98 A)
 &rst
  ixpk= 554, nxpk= 90, iat= 981, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THY  H2'          66 THY  H6          3.50    (#     554:90  AMB)
 &rst
  ixpk= 554, nxpk= 90, iat=1361,1346, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ADE  H8           55 ADE  H1'         4.90    (#     557:90   3.75, 3.75 A)
 &rst
  ixpk= 557, nxpk= 90, iat= 998, 995, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   67 ADE  H8           67 ADE  H1'         4.90    (#     557:90  AMB)
 &rst
  ixpk= 557, nxpk= 90, iat=1378,1375, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   68 THY  H3'          67 ADE  H1'         6.00    (#     558:90   5.61, 5.61 A)
 &rst
  ixpk= 558, nxpk= 90, iat=1423,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 THY  H3'          55 ADE  H1'         6.00    (#     558:90  AMB)
 &rst
  ixpk= 558, nxpk= 90, iat=1043, 995, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 ADE  H8           66 THY  H6          4.90    (#     559:90   4.88, 4.88 A)
 &rst
  ixpk= 559, nxpk= 90, iat=1314,1346, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H8           64 THY  H6          4.90    (#     559:90  AMB)
 &rst
  ixpk= 559, nxpk= 90, iat=1314,1282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H8           52 THY  H6          4.90    (#     559:90  AMB)
 &rst
  ixpk= 559, nxpk= 90, iat= 934, 902, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   53 ADE  H8           54 THY  H6          4.90    (#     559:90  AMB)
 &rst
  ixpk= 559, nxpk= 90, iat= 934, 966, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   66 THY  H6           65 ADE  H8          4.90    (#     560:90   4.88, 4.88 A)
 &rst
  ixpk= 560, nxpk= 90, iat=1346,1314, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   52 THY  H6           53 ADE  H8          4.90    (#     560:90  AMB)
 &rst
  ixpk= 560, nxpk= 90, iat= 902, 934, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   54 THY  H6           53 ADE  H8          4.90    (#     560:90  AMB)
 &rst
  ixpk= 560, nxpk= 90, iat= 966, 934, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   64 THY  H6           65 ADE  H8          4.90    (#     560:90  AMB)
 &rst
  ixpk= 560, nxpk= 90, iat=1282,1314, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   65 ADE  H2'          65 ADE  H8          3.50    (#     561:90   3.38, 3.38 A)
 &rst
  ixpk= 561, nxpk= 90, iat=1329,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ADE  H2'          53 ADE  H8          3.50    (#     561:90  AMB)
 &rst
  ixpk= 561, nxpk= 90, iat= 949, 934, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 THY  H2''         66 THY  H7          6.00    (#     343:90   5.78, 6.25 A)
 &rst
  ixpk= 343, nxpk= 90, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1349,1350,1351,
 &end
#
#   54 THY  H2''         54 THY  H7          6.00    (#     343:90  AMB)
 &rst
  ixpk= 343, nxpk= 90, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 969, 970, 971,
 &end
#
#   54 THY  H7           54 THY  H2''        6.00    (#     353:90  AMB)
 &rst
  ixpk= 353, nxpk= 90, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 969, 970, 971,
 &end
#
#   66 THY  H7           66 THY  H2''        6.00    (#     353:90  AMB)
 &rst
  ixpk= 353, nxpk= 90, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1349,1350,1351,
 &end
#
#   53 ADE  H1'          53 ADE  H8          3.80    (#     555:90   3.79, 3.79 A)
 &rst
  ixpk= 555, nxpk= 90, iat= 931, 934, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   65 ADE  H1'          65 ADE  H8          3.80    (#     555:90  AMB)
 &rst
  ixpk= 555, nxpk= 90, iat=1311,1314, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   71 GUA  H3'          71 GUA  H1'         4.00    (#     322:90   3.94, 3.94 A)
 &rst
  ixpk= 322, nxpk= 90, iat=1519,1502, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GUA  H3'          59 GUA  H1'         4.00    (#     322:90  AMB)
 &rst
  ixpk= 322, nxpk= 90, iat=1139,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 CYT  H2''         62 CYT  H6          4.00    (#      90:90   4.02, 4.02 A)
 &rst
  ixpk= 90, nxpk= 90, iat=1234,1220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 CYT  H2''         50 CYT  H6          4.00    (#      90:90  AMB)
 &rst
  ixpk= 90, nxpk= 90, iat= 854, 840, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 CYT  H6           62 CYT  H2''        4.00    (#     172:90   4.02, 4.02 A)
 &rst
  ixpk= 172, nxpk= 90, iat=1220,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 CYT  H6           50 CYT  H2''        4.00    (#     172:90  AMB)
 &rst
  ixpk= 172, nxpk= 90, iat= 840, 854, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ADE  H3'          53 ADE  H1'         4.00    (#     556:90   3.86, 3.86 A)
 &rst
  ixpk= 556, nxpk= 90, iat= 947, 931, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 ADE  H3'          65 ADE  H1'         4.00    (#     556:90  AMB)
 &rst
  ixpk= 556, nxpk= 90, iat=1327,1311, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 GUA  H1'          49 GUA  H8          3.80    (#       6:90   3.74, 3.74 A)
 &rst
  ixpk= 6, nxpk= 90, iat= 804, 807, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   61 GUA  H1'          61 GUA  H8          3.80    (#       6:90  AMB)
 &rst
  ixpk= 6, nxpk= 90, iat=1184,1187, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   49 GUA  H8           49 GUA  H1'         3.80    (#     138:90   3.74, 3.74 A)
 &rst
  ixpk= 138, nxpk= 90, iat= 807, 804, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   61 GUA  H8           61 GUA  H1'         3.80    (#     138:90  AMB)
 &rst
  ixpk= 138, nxpk= 90, iat=1187,1184, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   67 ADE  H2''         67 ADE  H8          4.00    (#     103:90   4.15, 4.15 A)
 &rst
  ixpk= 103, nxpk= 90, iat=1394,1378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ADE  H2''         55 ADE  H8          4.00    (#     103:90  AMB)
 &rst
  ixpk= 103, nxpk= 90, iat=1014, 998, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ADE  H8           55 ADE  H2''        4.00    (#     549:90   3.65, 3.65 A)
 &rst
  ixpk= 549, nxpk= 90, iat= 998,1014, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 ADE  H8           67 ADE  H2''        4.00    (#     549:90  AMB)
 &rst
  ixpk= 549, nxpk= 90, iat=1378,1394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   69 GUA  H3'          69 GUA  H1'         4.00    (#     320:90   3.95, 3.95 A)
 &rst
  ixpk= 320, nxpk= 90, iat=1456,1439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 GUA  H3'          57 GUA  H1'         4.00    (#     320:90  AMB)
 &rst
  ixpk= 320, nxpk= 90, iat=1076,1059, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ADE  H1'          63 ADE  H8          3.80    (#       4:90   3.78, 3.78 A)
 &rst
  ixpk= 4, nxpk= 90, iat=1247,1250, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   51 ADE  H1'          51 ADE  H8          3.80    (#       4:90  AMB)
 &rst
  ixpk= 4, nxpk= 90, iat= 867, 870, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   51 ADE  H8           51 ADE  H1'         3.80    (#     145:90   3.80, 3.80 A)
 &rst
  ixpk= 145, nxpk= 90, iat= 870, 867, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   63 ADE  H8           63 ADE  H1'         3.80    (#     145:90  AMB)
 &rst
  ixpk= 145, nxpk= 90, iat=1250,1247, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   60 CYT  H3'          60 CYT  H1'         4.00    (#     312:90   3.81, 3.81 A)
 &rst
  ixpk= 312, nxpk= 90, iat=1168,1154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 CYT  H3'          48 CYT  H1'         4.00    (#     312:90  AMB)
 &rst
  ixpk= 312, nxpk= 90, iat= 788, 774, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 GUA  H1'          57 GUA  H8          3.80    (#      55:90   3.73, 3.73 A)
 &rst
  ixpk= 55, nxpk= 90, iat=1059,1062, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   69 GUA  H1'          69 GUA  H8          3.80    (#      55:90  AMB)
 &rst
  ixpk= 55, nxpk= 90, iat=1439,1442, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   57 GUA  H8           57 GUA  H1'         3.80    (#     158:90   3.73, 3.73 A)
 &rst
  ixpk= 158, nxpk= 90, iat=1062,1059, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   69 GUA  H8           69 GUA  H1'         3.80    (#     158:90  AMB)
 &rst
  ixpk= 158, nxpk= 90, iat=1442,1439, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   59 GUA  H1'          59 GUA  H8          3.80    (#       8:90   3.76, 3.76 A)
 &rst
  ixpk= 8, nxpk= 90, iat=1122,1125, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   71 GUA  H1'          71 GUA  H8          3.80    (#       8:90  AMB)
 &rst
  ixpk= 8, nxpk= 90, iat=1502,1505, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   59 GUA  H8           59 GUA  H1'         3.80    (#     140:90   3.76, 3.76 A)
 &rst
  ixpk= 140, nxpk= 90, iat=1125,1122, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   71 GUA  H8           71 GUA  H1'         3.80    (#     140:90  AMB)
 &rst
  ixpk= 140, nxpk= 90, iat=1505,1502, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   70 CYT  H1'          70 CYT  H6          3.60    (#       7:90   3.70, 3.70 A)
 &rst
  ixpk= 7, nxpk= 90, iat=1472,1475, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   58 CYT  H1'          58 CYT  H6          3.60    (#       7:90  AMB)
 &rst
  ixpk= 7, nxpk= 90, iat=1092,1095, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   58 CYT  H6           58 CYT  H1'         3.60    (#     134:90   3.67, 3.67 A)
 &rst
  ixpk= 134, nxpk= 90, iat=1095,1092, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   70 CYT  H6           70 CYT  H1'         3.60    (#     134:90  AMB)
 &rst
  ixpk= 134, nxpk= 90, iat=1475,1472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   48 CYT  H4'          48 CYT  H6          5.00    (#     360:90   4.74, 4.74 A)
 &rst
  ixpk= 360, nxpk= 90, iat= 771, 777, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 CYT  H4'          60 CYT  H6          5.00    (#     360:90  AMB)
 &rst
  ixpk= 360, nxpk= 90, iat=1151,1157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 ADE  H3'          51 ADE  H8          4.20    (#      69:90   3.58, 3.58 A)
 &rst
  ixpk= 69, nxpk= 90, iat= 883, 870, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   63 ADE  H3'          63 ADE  H8          4.20    (#      69:90  AMB)
 &rst
  ixpk= 69, nxpk= 90, iat=1263,1250, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   48 CYT  H1'          48 CYT  H6          3.60    (#       0:90   3.70, 3.70 A)
 &rst
  ixpk= 0, nxpk= 90, iat= 774, 777, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   60 CYT  H1'          60 CYT  H6          3.60    (#       0:90  AMB)
 &rst
  ixpk= 0, nxpk= 90, iat=1154,1157, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   62 CYT  H1'          62 CYT  H6          3.60    (#      22:90   3.68, 3.68 A)
 &rst
  ixpk= 22, nxpk= 90, iat=1217,1220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   50 CYT  H1'          50 CYT  H6          3.60    (#      22:90  AMB)
 &rst
  ixpk= 22, nxpk= 90, iat= 837, 840, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   48 CYT  H6           48 CYT  H1'         3.60    (#     132:90   3.70, 3.70 A)
 &rst
  ixpk= 132, nxpk= 90, iat= 777, 774, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   60 CYT  H6           60 CYT  H1'         3.60    (#     132:90  AMB)
 &rst
  ixpk= 132, nxpk= 90, iat=1157,1154, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   64 THY  H3'          64 THY  H2''        2.80    (#     409:90   2.80, 2.80 A)
 &rst
  ixpk= 409, nxpk= 90, iat=1295,1298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   52 THY  H3'          52 THY  H2''        2.80    (#     409:90  AMB)
 &rst
  ixpk= 409, nxpk= 90, iat= 915, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 THY  H3'          66 THY  H2''        2.80    (#     409:90  AMB)
 &rst
  ixpk= 409, nxpk= 90, iat=1359,1362, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 THY  H3'          54 THY  H2''        2.80    (#     409:90  AMB)
 &rst
  ixpk= 409, nxpk= 90, iat= 979, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 THY  H3'          68 THY  H2''        2.80    (#     414:90   2.86, 2.86 A)
 &rst
  ixpk= 414, nxpk= 90, iat=1423,1426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 THY  H3'          56 THY  H2''        2.80    (#     414:90  AMB)
 &rst
  ixpk= 414, nxpk= 90, iat=1043,1046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 CYT  H5           57 GUA  H1'         4.30    (#     550:90   3.04, 3.04 A)
 &rst
  ixpk= 550, nxpk= 90, iat=1097,1059, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   70 CYT  H5           69 GUA  H1'         4.30    (#     550:90  AMB)
 &rst
  ixpk= 550, nxpk= 90, iat=1477,1439, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   69 GUA  H3'          69 GUA  H2''        3.00    (#     415:90   2.86, 2.86 A)
 &rst
  ixpk= 415, nxpk= 90, iat=1456,1459, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 GUA  H3'          57 GUA  H2''        3.00    (#     415:90  AMB)
 &rst
  ixpk= 415, nxpk= 90, iat=1076,1079, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end# 760 atoms read from pdb file DNA.pdb.
# 48 CYT NU0:  (48 DC5 C4')-(48 DC5 O4')-(48 DC5 C1')-(48 DC5 C2') -44.7 -14.7
 &rst     iat =   770,   772,   773,   789,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
   rk2 =   30.0, rk3 =   30.0,    &end

# 48 CYT NU1:  (48 DC5 O4')-(48 DC5 C1')-(48 DC5 C2')-(48 DC5 C3')  15.6  45.6
 &rst     iat =   772,   773,   789,   787,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 48 CYT NU2:  (48 DC5 C1')-(48 DC5 C2')-(48 DC5 C3')-(48 DC5 C4') -37.2   0.0
 &rst     iat =   773,   789,   787,   770,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 48 CYT NU3:  (48 DC5 C2')-(48 DC5 C3')-(48 DC5 C4')-(48 DC5 O4') -22.6  24.2
 &rst     iat =   789,   787,   770,   772,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 48 CYT NU4:  (48 DC5 C3')-(48 DC5 C4')-(48 DC5 O4')-(48 DC5 C1')  -1.9  36.6
 &rst     iat =   787,   770,   772,   773,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 49 GUA NU0:  (49 DG C4')-(49 DG O4')-(49 DG C1')-(49 DG C2') -44.7 -14.7
 &rst     iat =   800,   802,   803,   822,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 49 GUA NU1:  (49 DG O4')-(49 DG C1')-(49 DG C2')-(49 DG C3')  15.6  45.6
 &rst     iat =   802,   803,   822,   820,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 49 GUA NU2:  (49 DG C1')-(49 DG C2')-(49 DG C3')-(49 DG C4') -37.2   0.0
 &rst     iat =   803,   822,   820,   800,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 49 GUA NU3:  (49 DG C2')-(49 DG C3')-(49 DG C4')-(49 DG O4') -22.6  24.2
 &rst     iat =   822,   820,   800,   802,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 49 GUA NU4:  (49 DG C3')-(49 DG C4')-(49 DG O4')-(49 DG C1')  -1.9  36.6
 &rst     iat =   820,   800,   802,   803,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 50 CYT NU0:  (50 DC C4')-(50 DC O4')-(50 DC C1')-(50 DC C2') -44.7 -14.7
 &rst     iat =   833,   835,   836,   852,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 50 CYT NU1:  (50 DC O4')-(50 DC C1')-(50 DC C2')-(50 DC C3')  15.6  45.6
 &rst     iat =   835,   836,   852,   850,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 50 CYT NU2:  (50 DC C1')-(50 DC C2')-(50 DC C3')-(50 DC C4') -37.2   0.0
 &rst     iat =   836,   852,   850,   833,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 50 CYT NU3:  (50 DC C2')-(50 DC C3')-(50 DC C4')-(50 DC O4') -22.6  24.2
 &rst     iat =   852,   850,   833,   835,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 50 CYT NU4:  (50 DC C3')-(50 DC C4')-(50 DC O4')-(50 DC C1')  -1.9  36.6
 &rst     iat =   850,   833,   835,   836,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 51 ADE NU0:  (51 DA C4')-(51 DA O4')-(51 DA C1')-(51 DA C2') -44.7 -14.7
 &rst     iat =   863,   865,   866,   884,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 51 ADE NU1:  (51 DA O4')-(51 DA C1')-(51 DA C2')-(51 DA C3')  15.6  45.6
 &rst     iat =   865,   866,   884,   882,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 51 ADE NU2:  (51 DA C1')-(51 DA C2')-(51 DA C3')-(51 DA C4') -37.2   0.0
 &rst     iat =   866,   884,   882,   863,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 51 ADE NU3:  (51 DA C2')-(51 DA C3')-(51 DA C4')-(51 DA O4') -22.6  24.2
 &rst     iat =   884,   882,   863,   865,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 51 ADE NU4:  (51 DA C3')-(51 DA C4')-(51 DA O4')-(51 DA C1')  -1.9  36.6
 &rst     iat =   882,   863,   865,   866,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 52 THY NU0:  (52 DT C4')-(52 DT O4')-(52 DT C1')-(52 DT C2') -44.7 -14.7
 &rst     iat =   895,   897,   898,   916,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 52 THY NU1:  (52 DT O4')-(52 DT C1')-(52 DT C2')-(52 DT C3')  15.6  45.6
 &rst     iat =   897,   898,   916,   914,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 52 THY NU2:  (52 DT C1')-(52 DT C2')-(52 DT C3')-(52 DT C4') -37.2   0.0
 &rst     iat =   898,   916,   914,   895,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 52 THY NU3:  (52 DT C2')-(52 DT C3')-(52 DT C4')-(52 DT O4') -22.6  24.2
 &rst     iat =   916,   914,   895,   897,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 52 THY NU4:  (52 DT C3')-(52 DT C4')-(52 DT O4')-(52 DT C1')  -1.9  36.6
 &rst     iat =   914,   895,   897,   898,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 53 ADE NU0:  (53 DA C4')-(53 DA O4')-(53 DA C1')-(53 DA C2') -44.7 -14.7
 &rst     iat =   927,   929,   930,   948,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 53 ADE NU1:  (53 DA O4')-(53 DA C1')-(53 DA C2')-(53 DA C3')  15.6  45.6
 &rst     iat =   929,   930,   948,   946,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 53 ADE NU2:  (53 DA C1')-(53 DA C2')-(53 DA C3')-(53 DA C4') -37.2   0.0
 &rst     iat =   930,   948,   946,   927,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 53 ADE NU3:  (53 DA C2')-(53 DA C3')-(53 DA C4')-(53 DA O4') -22.6  24.2
 &rst     iat =   948,   946,   927,   929,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 53 ADE NU4:  (53 DA C3')-(53 DA C4')-(53 DA O4')-(53 DA C1')  -1.9  36.6
 &rst     iat =   946,   927,   929,   930,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 54 THY NU0:  (54 DT C4')-(54 DT O4')-(54 DT C1')-(54 DT C2') -44.7 -14.7
 &rst     iat =   959,   961,   962,   980,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 54 THY NU1:  (54 DT O4')-(54 DT C1')-(54 DT C2')-(54 DT C3')  15.6  45.6
 &rst     iat =   961,   962,   980,   978,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 54 THY NU2:  (54 DT C1')-(54 DT C2')-(54 DT C3')-(54 DT C4') -37.2   0.0
 &rst     iat =   962,   980,   978,   959,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 54 THY NU3:  (54 DT C2')-(54 DT C3')-(54 DT C4')-(54 DT O4') -22.6  24.2
 &rst     iat =   980,   978,   959,   961,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 54 THY NU4:  (54 DT C3')-(54 DT C4')-(54 DT O4')-(54 DT C1')  -1.9  36.6
 &rst     iat =   978,   959,   961,   962,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 55 ADE NU0:  (55 DA C4')-(55 DA O4')-(55 DA C1')-(55 DA C2') -44.7 -14.7
 &rst     iat =   991,   993,   994,  1012,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 55 ADE NU1:  (55 DA O4')-(55 DA C1')-(55 DA C2')-(55 DA C3')  15.6  45.6
 &rst     iat =   993,   994,  1012,  1010,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 55 ADE NU2:  (55 DA C1')-(55 DA C2')-(55 DA C3')-(55 DA C4') -37.2   0.0
 &rst     iat =   994,  1012,  1010,   991,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 55 ADE NU3:  (55 DA C2')-(55 DA C3')-(55 DA C4')-(55 DA O4') -22.6  24.2
 &rst     iat =  1012,  1010,   991,   993,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 55 ADE NU4:  (55 DA C3')-(55 DA C4')-(55 DA O4')-(55 DA C1')  -1.9  36.6
 &rst     iat =  1010,   991,   993,   994,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 56 THY NU0:  (56 DT C4')-(56 DT O4')-(56 DT C1')-(56 DT C2') -44.7 -14.7
 &rst     iat =  1023,  1025,  1026,  1044,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 56 THY NU1:  (56 DT O4')-(56 DT C1')-(56 DT C2')-(56 DT C3')  15.6  45.6
 &rst     iat =  1025,  1026,  1044,  1042,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 56 THY NU2:  (56 DT C1')-(56 DT C2')-(56 DT C3')-(56 DT C4') -37.2   0.0
 &rst     iat =  1026,  1044,  1042,  1023,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 56 THY NU3:  (56 DT C2')-(56 DT C3')-(56 DT C4')-(56 DT O4') -22.6  24.2
 &rst     iat =  1044,  1042,  1023,  1025,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 56 THY NU4:  (56 DT C3')-(56 DT C4')-(56 DT O4')-(56 DT C1')  -1.9  36.6
 &rst     iat =  1042,  1023,  1025,  1026,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 57 GUA NU0:  (57 DG C4')-(57 DG O4')-(57 DG C1')-(57 DG C2') -44.7 -14.7
 &rst     iat =  1055,  1057,  1058,  1077,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 57 GUA NU1:  (57 DG O4')-(57 DG C1')-(57 DG C2')-(57 DG C3')  15.6  45.6
 &rst     iat =  1057,  1058,  1077,  1075,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 57 GUA NU2:  (57 DG C1')-(57 DG C2')-(57 DG C3')-(57 DG C4') -37.2   0.0
 &rst     iat =  1058,  1077,  1075,  1055,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 57 GUA NU3:  (57 DG C2')-(57 DG C3')-(57 DG C4')-(57 DG O4') -22.6  24.2
 &rst     iat =  1077,  1075,  1055,  1057,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 57 GUA NU4:  (57 DG C3')-(57 DG C4')-(57 DG O4')-(57 DG C1')  -1.9  36.6
 &rst     iat =  1075,  1055,  1057,  1058,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 58 CYT NU0:  (58 DC C4')-(58 DC O4')-(58 DC C1')-(58 DC C2') -44.7 -14.7
 &rst     iat =  1088,  1090,  1091,  1107,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 58 CYT NU1:  (58 DC O4')-(58 DC C1')-(58 DC C2')-(58 DC C3')  15.6  45.6
 &rst     iat =  1090,  1091,  1107,  1105,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 58 CYT NU2:  (58 DC C1')-(58 DC C2')-(58 DC C3')-(58 DC C4') -37.2   0.0
 &rst     iat =  1091,  1107,  1105,  1088,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 58 CYT NU3:  (58 DC C2')-(58 DC C3')-(58 DC C4')-(58 DC O4') -22.6  24.2
 &rst     iat =  1107,  1105,  1088,  1090,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 58 CYT NU4:  (58 DC C3')-(58 DC C4')-(58 DC O4')-(58 DC C1')  -1.9  36.6
 &rst     iat =  1105,  1088,  1090,  1091,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 59 GUA NU0:  (59 DG3 C4')-(59 DG3 O4')-(59 DG3 C1')-(59 DG3 C2') -44.7 -14.7
 &rst     iat =  1118,  1120,  1121,  1140,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 59 GUA NU1:  (59 DG3 O4')-(59 DG3 C1')-(59 DG3 C2')-(59 DG3 C3')  15.6  45.6
 &rst     iat =  1120,  1121,  1140,  1138,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 59 GUA NU2:  (59 DG3 C1')-(59 DG3 C2')-(59 DG3 C3')-(59 DG3 C4') -37.2   0.0
 &rst     iat =  1121,  1140,  1138,  1118,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 59 GUA NU3:  (59 DG3 C2')-(59 DG3 C3')-(59 DG3 C4')-(59 DG3 O4') -22.6  24.2
 &rst     iat =  1140,  1138,  1118,  1120,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 59 GUA NU4:  (59 DG3 C3')-(59 DG3 C4')-(59 DG3 O4')-(59 DG3 C1')  -1.9  36.6
 &rst     iat =  1138,  1118,  1120,  1121,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 60 CYT NU0:  (60 DC5 C4')-(60 DC5 O4')-(60 DC5 C1')-(60 DC5 C2') -44.7 -14.7
 &rst     iat =  1150,  1152,  1153,  1169,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 60 CYT NU1:  (60 DC5 O4')-(60 DC5 C1')-(60 DC5 C2')-(60 DC5 C3')  15.6  45.6
 &rst     iat =  1152,  1153,  1169,  1167,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 60 CYT NU2:  (60 DC5 C1')-(60 DC5 C2')-(60 DC5 C3')-(60 DC5 C4') -37.2   0.0
 &rst     iat =  1153,  1169,  1167,  1150,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 60 CYT NU3:  (60 DC5 C2')-(60 DC5 C3')-(60 DC5 C4')-(60 DC5 O4') -22.6  24.2
 &rst     iat =  1169,  1167,  1150,  1152,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 60 CYT NU4:  (60 DC5 C3')-(60 DC5 C4')-(60 DC5 O4')-(60 DC5 C1')  -1.9  36.6
 &rst     iat =  1167,  1150,  1152,  1153,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 61 GUA NU0:  (61 DG C4')-(61 DG O4')-(61 DG C1')-(61 DG C2') -44.7 -14.7
 &rst     iat =  1180,  1182,  1183,  1202,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 61 GUA NU1:  (61 DG O4')-(61 DG C1')-(61 DG C2')-(61 DG C3')  15.6  45.6
 &rst     iat =  1182,  1183,  1202,  1200,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 61 GUA NU2:  (61 DG C1')-(61 DG C2')-(61 DG C3')-(61 DG C4') -37.2   0.0
 &rst     iat =  1183,  1202,  1200,  1180,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 61 GUA NU3:  (61 DG C2')-(61 DG C3')-(61 DG C4')-(61 DG O4') -22.6  24.2
 &rst     iat =  1202,  1200,  1180,  1182,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 61 GUA NU4:  (61 DG C3')-(61 DG C4')-(61 DG O4')-(61 DG C1')  -1.9  36.6
 &rst     iat =  1200,  1180,  1182,  1183,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 62 CYT NU0:  (62 DC C4')-(62 DC O4')-(62 DC C1')-(62 DC C2') -44.7 -14.7
 &rst     iat =  1213,  1215,  1216,  1232,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 62 CYT NU1:  (62 DC O4')-(62 DC C1')-(62 DC C2')-(62 DC C3')  15.6  45.6
 &rst     iat =  1215,  1216,  1232,  1230,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 62 CYT NU2:  (62 DC C1')-(62 DC C2')-(62 DC C3')-(62 DC C4') -37.2   0.0
 &rst     iat =  1216,  1232,  1230,  1213,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 62 CYT NU3:  (62 DC C2')-(62 DC C3')-(62 DC C4')-(62 DC O4') -22.6  24.2
 &rst     iat =  1232,  1230,  1213,  1215,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 62 CYT NU4:  (62 DC C3')-(62 DC C4')-(62 DC O4')-(62 DC C1')  -1.9  36.6
 &rst     iat =  1230,  1213,  1215,  1216,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 63 ADE NU0:  (63 DA C4')-(63 DA O4')-(63 DA C1')-(63 DA C2') -44.7 -14.7
 &rst     iat =  1243,  1245,  1246,  1264,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 63 ADE NU1:  (63 DA O4')-(63 DA C1')-(63 DA C2')-(63 DA C3')  15.6  45.6
 &rst     iat =  1245,  1246,  1264,  1262,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 63 ADE NU2:  (63 DA C1')-(63 DA C2')-(63 DA C3')-(63 DA C4') -37.2   0.0
 &rst     iat =  1246,  1264,  1262,  1243,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 63 ADE NU3:  (63 DA C2')-(63 DA C3')-(63 DA C4')-(63 DA O4') -22.6  24.2
 &rst     iat =  1264,  1262,  1243,  1245,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 63 ADE NU4:  (63 DA C3')-(63 DA C4')-(63 DA O4')-(63 DA C1')  -1.9  36.6
 &rst     iat =  1262,  1243,  1245,  1246,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 64 THY NU0:  (64 DT C4')-(64 DT O4')-(64 DT C1')-(64 DT C2') -44.7 -14.7
 &rst     iat =  1275,  1277,  1278,  1296,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 64 THY NU1:  (64 DT O4')-(64 DT C1')-(64 DT C2')-(64 DT C3')  15.6  45.6
 &rst     iat =  1277,  1278,  1296,  1294,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 64 THY NU2:  (64 DT C1')-(64 DT C2')-(64 DT C3')-(64 DT C4') -37.2   0.0
 &rst     iat =  1278,  1296,  1294,  1275,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 64 THY NU3:  (64 DT C2')-(64 DT C3')-(64 DT C4')-(64 DT O4') -22.6  24.2
 &rst     iat =  1296,  1294,  1275,  1277,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 64 THY NU4:  (64 DT C3')-(64 DT C4')-(64 DT O4')-(64 DT C1')  -1.9  36.6
 &rst     iat =  1294,  1275,  1277,  1278,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 65 ADE NU0:  (65 DA C4')-(65 DA O4')-(65 DA C1')-(65 DA C2') -44.7 -14.7
 &rst     iat =  1307,  1309,  1310,  1328,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 65 ADE NU1:  (65 DA O4')-(65 DA C1')-(65 DA C2')-(65 DA C3')  15.6  45.6
 &rst     iat =  1309,  1310,  1328,  1326,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 65 ADE NU2:  (65 DA C1')-(65 DA C2')-(65 DA C3')-(65 DA C4') -37.2   0.0
 &rst     iat =  1310,  1328,  1326,  1307,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 65 ADE NU3:  (65 DA C2')-(65 DA C3')-(65 DA C4')-(65 DA O4') -22.6  24.2
 &rst     iat =  1328,  1326,  1307,  1309,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 65 ADE NU4:  (65 DA C3')-(65 DA C4')-(65 DA O4')-(65 DA C1')  -1.9  36.6
 &rst     iat =  1326,  1307,  1309,  1310,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 66 THY NU0:  (66 DT C4')-(66 DT O4')-(66 DT C1')-(66 DT C2') -44.7 -14.7
 &rst     iat =  1339,  1341,  1342,  1360,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 66 THY NU1:  (66 DT O4')-(66 DT C1')-(66 DT C2')-(66 DT C3')  15.6  45.6
 &rst     iat =  1341,  1342,  1360,  1358,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 66 THY NU2:  (66 DT C1')-(66 DT C2')-(66 DT C3')-(66 DT C4') -37.2   0.0
 &rst     iat =  1342,  1360,  1358,  1339,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 66 THY NU3:  (66 DT C2')-(66 DT C3')-(66 DT C4')-(66 DT O4') -22.6  24.2
 &rst     iat =  1360,  1358,  1339,  1341,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 66 THY NU4:  (66 DT C3')-(66 DT C4')-(66 DT O4')-(66 DT C1')  -1.9  36.6
 &rst     iat =  1358,  1339,  1341,  1342,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 67 ADE NU0:  (67 DA C4')-(67 DA O4')-(67 DA C1')-(67 DA C2') -44.7 -14.7
 &rst     iat =  1371,  1373,  1374,  1392,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 67 ADE NU1:  (67 DA O4')-(67 DA C1')-(67 DA C2')-(67 DA C3')  15.6  45.6
 &rst     iat =  1373,  1374,  1392,  1390,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 67 ADE NU2:  (67 DA C1')-(67 DA C2')-(67 DA C3')-(67 DA C4') -37.2   0.0
 &rst     iat =  1374,  1392,  1390,  1371,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 67 ADE NU3:  (67 DA C2')-(67 DA C3')-(67 DA C4')-(67 DA O4') -22.6  24.2
 &rst     iat =  1392,  1390,  1371,  1373,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 67 ADE NU4:  (67 DA C3')-(67 DA C4')-(67 DA O4')-(67 DA C1')  -1.9  36.6
 &rst     iat =  1390,  1371,  1373,  1374,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 68 THY NU0:  (68 DT C4')-(68 DT O4')-(68 DT C1')-(68 DT C2') -44.7 -14.7
 &rst     iat =  1403,  1405,  1406,  1424,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 68 THY NU1:  (68 DT O4')-(68 DT C1')-(68 DT C2')-(68 DT C3')  15.6  45.6
 &rst     iat =  1405,  1406,  1424,  1422,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 68 THY NU2:  (68 DT C1')-(68 DT C2')-(68 DT C3')-(68 DT C4') -37.2   0.0
 &rst     iat =  1406,  1424,  1422,  1403,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 68 THY NU3:  (68 DT C2')-(68 DT C3')-(68 DT C4')-(68 DT O4') -22.6  24.2
 &rst     iat =  1424,  1422,  1403,  1405,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 68 THY NU4:  (68 DT C3')-(68 DT C4')-(68 DT O4')-(68 DT C1')  -1.9  36.6
 &rst     iat =  1422,  1403,  1405,  1406,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 69 GUA NU0:  (69 DG C4')-(69 DG O4')-(69 DG C1')-(69 DG C2') -44.7 -14.7
 &rst     iat =  1435,  1437,  1438,  1457,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 69 GUA NU1:  (69 DG O4')-(69 DG C1')-(69 DG C2')-(69 DG C3')  15.6  45.6
 &rst     iat =  1437,  1438,  1457,  1455,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 69 GUA NU2:  (69 DG C1')-(69 DG C2')-(69 DG C3')-(69 DG C4') -37.2   0.0
 &rst     iat =  1438,  1457,  1455,  1435,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 69 GUA NU3:  (69 DG C2')-(69 DG C3')-(69 DG C4')-(69 DG O4') -22.6  24.2
 &rst     iat =  1457,  1455,  1435,  1437,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 69 GUA NU4:  (69 DG C3')-(69 DG C4')-(69 DG O4')-(69 DG C1')  -1.9  36.6
 &rst     iat =  1455,  1435,  1437,  1438,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 70 CYT NU0:  (70 DC C4')-(70 DC O4')-(70 DC C1')-(70 DC C2') -44.7 -14.7
 &rst     iat =  1468,  1470,  1471,  1487,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 70 CYT NU1:  (70 DC O4')-(70 DC C1')-(70 DC C2')-(70 DC C3')  15.6  45.6
 &rst     iat =  1470,  1471,  1487,  1485,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 70 CYT NU2:  (70 DC C1')-(70 DC C2')-(70 DC C3')-(70 DC C4') -37.2   0.0
 &rst     iat =  1471,  1487,  1485,  1468,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 70 CYT NU3:  (70 DC C2')-(70 DC C3')-(70 DC C4')-(70 DC O4') -22.6  24.2
 &rst     iat =  1487,  1485,  1468,  1470,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 70 CYT NU4:  (70 DC C3')-(70 DC C4')-(70 DC O4')-(70 DC C1')  -1.9  36.6
 &rst     iat =  1485,  1468,  1470,  1471,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end

# 71 GUA NU0:  (71 DG3 C4')-(71 DG3 O4')-(71 DG3 C1')-(71 DG3 C2') -44.7 -14.7
 &rst     iat =  1498,  1500,  1501,  1520,
   r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7,
 &end

# 71 GUA NU1:  (71 DG3 O4')-(71 DG3 C1')-(71 DG3 C2')-(71 DG3 C3')  15.6  45.6
 &rst     iat =  1500,  1501,  1520,  1518,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 &end

# 71 GUA NU2:  (71 DG3 C1')-(71 DG3 C2')-(71 DG3 C3')-(71 DG3 C4') -37.2   0.0
 &rst     iat =  1501,  1520,  1518,  1498,
   r1 = -38.2, r2 = -37.2, r3 =   0.0, r4 =   1.0,
 &end

# 71 GUA NU3:  (71 DG3 C2')-(71 DG3 C3')-(71 DG3 C4')-(71 DG3 O4') -22.6  24.2
 &rst     iat =  1520,  1518,  1498,  1500,
   r1 = -23.6, r2 = -22.6, r3 =  24.2, r4 =  25.2,
 &end

# 71 GUA NU4:  (71 DG3 C3')-(71 DG3 C4')-(71 DG3 O4')-(71 DG3 C1')  -1.9  36.6
 &rst     iat =  1518,  1498,  1500,  1501,
   r1 =  -2.9, r2 =  -1.9, r3 =  36.6, r4 =  37.6,
 &end#  48  CYT  N3     71  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 784,1510, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  48  CYT  N3     71  GUA  H1      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 784,1511, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  48  CYT  O2     71  GUA  H22     1.76   1.96
 &rst
  ixpk= 0, nxpk= 0, iat= 786,1515, r1= 1.26, r2= 1.76, r3= 1.96, r4= 2.46,  &end
#
#  48  CYT  N4     71  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 781,1509, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  48  CYT  H42    71  GUA  O6      1.81   2.01
 &rst
  ixpk= 0, nxpk= 0, iat= 783,1509, r1= 1.31, r2= 1.81, r3= 2.01, r4= 2.51,  &end
#
#  49  GUA  N1     70  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 812,1482, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  49  GUA  H1     70  CYT  N3      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 813,1482, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  49  GUA  H22    70  CYT  O2      1.76   1.96
 &rst
  ixpk= 0, nxpk= 0, iat= 817,1484, r1= 1.26, r2= 1.76, r3= 1.96, r4= 2.46,  &end
#
#  49  GUA  O6     70  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 811,1479, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  49  GUA  O6     70  CYT  H42     1.81   2.01
 &rst
  ixpk= 0, nxpk= 0, iat= 811,1481, r1= 1.31, r2= 1.81, r3= 2.01, r4= 2.51,  &end
#
#  50  CYT  N3     69  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847,1447, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  50  CYT  N3     69  GUA  H1      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 847,1448, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  50  CYT  O2     69  GUA  H22     1.76   1.96
 &rst
  ixpk= 0, nxpk= 0, iat= 849,1452, r1= 1.26, r2= 1.76, r3= 1.96, r4= 2.46,  &end
#
#  50  CYT  N4     69  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 844,1446, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  50  CYT  H42    69  GUA  O6      1.81   2.01
 &rst
  ixpk= 0, nxpk= 0, iat= 846,1446, r1= 1.31, r2= 1.81, r3= 2.01, r4= 2.51,  &end
#
#  51  ADE  H61    68  THY  O4      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 875,1417, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  51  ADE  N1     68  THY  N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 877,1418, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  51  ADE  N1     68  THY  H3      1.72   1.92
 &rst
  ixpk= 0, nxpk= 0, iat= 877,1419, r1= 1.22, r2= 1.72, r3= 1.92, r4= 2.42,  &end
#
#  52  THY  O4     67  ADE  H61     1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 909,1383, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  52  THY  N3     67  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 910,1385, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  52  THY  H3     67  ADE  N1      1.72   1.92
 &rst
  ixpk= 0, nxpk= 0, iat= 911,1385, r1= 1.22, r2= 1.72, r3= 1.92, r4= 2.42,  &end
#
#  53  ADE  H61    66  THY  O4      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 939,1353, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  53  ADE  N1     66  THY  N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 941,1354, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  53  ADE  N1     66  THY  H3      1.72   1.92
 &rst
  ixpk= 0, nxpk= 0, iat= 941,1355, r1= 1.22, r2= 1.72, r3= 1.92, r4= 2.42,  &end
#
#  54  THY  O4     65  ADE  H61     1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1319, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  54  THY  N3     65  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1321, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  54  THY  H3     65  ADE  N1      1.72   1.92
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1321, r1= 1.22, r2= 1.72, r3= 1.92, r4= 2.42,  &end
#
#  55  ADE  H61    64  THY  O4      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1289, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  55  ADE  N1     64  THY  N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1290, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  55  ADE  N1     64  THY  H3      1.72   1.92
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1291, r1= 1.22, r2= 1.72, r3= 1.92, r4= 2.42,  &end
#
#  56  THY  O4     63  ADE  H61     1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1255, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  56  THY  N3     63  ADE  N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1257, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#  56  THY  H3     63  ADE  N1      1.72   1.92
 &rst
  ixpk= 0, nxpk= 0, iat=1039,1257, r1= 1.22, r2= 1.72, r3= 1.92, r4= 2.42,  &end
#
#  57  GUA  N1     62  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1227, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  57  GUA  H1     62  CYT  N3      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1227, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  57  GUA  H22    62  CYT  O2      1.76   1.96
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1229, r1= 1.26, r2= 1.76, r3= 1.96, r4= 2.46,  &end
#
#  57  GUA  O6     62  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1224, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  57  GUA  O6     62  CYT  H42     1.81   2.01
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1226, r1= 1.31, r2= 1.81, r3= 2.01, r4= 2.51,  &end
#
#  58  CYT  N3     61  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1192, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  58  CYT  N3     61  GUA  H1      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1193, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  58  CYT  O2     61  GUA  H22     1.76   1.96
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1197, r1= 1.26, r2= 1.76, r3= 1.96, r4= 2.46,  &end
#
#  58  CYT  N4     61  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1191, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  58  CYT  H42    61  GUA  O6      1.81   2.01
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1191, r1= 1.31, r2= 1.81, r3= 2.01, r4= 2.51,  &end
#
#  59  GUA  N1     60  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1164, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#  59  GUA  H1     60  CYT  N3      1.85   2.05
 &rst
  ixpk= 0, nxpk= 0, iat=1131,1164, r1= 1.35, r2= 1.85, r3= 2.05, r4= 2.55,  &end
#
#  59  GUA  H22    60  CYT  O2      1.76   1.96
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1166, r1= 1.26, r2= 1.76, r3= 1.96, r4= 2.46,  &end
#
#  59  GUA  O6     60  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1161, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#  59  GUA  O6     60  CYT  H42     1.81   2.01
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1163, r1= 1.31, r2= 1.81, r3= 2.01, r4= 2.51,  &end# 764 atoms read from pdb file prm1.pdb.
# 4 VAL PHI:  (3 LYS C)-(4 VAL N)-(4 VAL CA)-(4 VAL C) -126.8 -52.4
 &rst     iat =    57,    59,    61,    73,
   r1 = -127.8, r2 = -126.8, r3 = -52.4, r4 = -51.4,
   rk2 =   50.0, rk3 =   50.0,    &end

# 4 VAL PSI:  (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 LYS N) 111.3 151.3
 &rst     iat =    59,    61,    73,    75,
   r1 = 110.3, r2 = 111.3, r3 = 151.3, r4 = 152.3,
 &end

# 5 LYS PHI:  (4 VAL C)-(5 LYS N)-(5 LYS CA)-(5 LYS C) -157.1 -73.8
 &rst     iat =    73,    75,    77,    95,
   r1 = -158.1, r2 = -157.1, r3 = -73.8, r4 = -72.8,
 &end

# 5 LYS PSI:  (5 LYS N)-(5 LYS CA)-(5 LYS C)-(6 GLN N) 113.0 153.0
 &rst     iat =    75,    77,    95,    97,
   r1 = 112.0, r2 = 113.0, r3 = 153.0, r4 = 154.0,
 &end

# 6 GLN PHI:  (5 LYS C)-(6 GLN N)-(6 GLN CA)-(6 GLN C) -147.8 -85.0
 &rst     iat =    95,    97,    99,   112,
   r1 = -148.8, r2 = -147.8, r3 = -85.0, r4 = -84.0,
 &end

# 6 GLN PSI:  (6 GLN N)-(6 GLN CA)-(6 GLN C)-(7 TYR N) 111.4 156.7
 &rst     iat =    97,    99,   112,   114,
   r1 = 110.4, r2 = 111.4, r3 = 156.7, r4 = 157.7,
 &end

# 7 TYR PHI:  (6 GLN C)-(7 TYR N)-(7 TYR CA)-(7 TYR C) -174.4 -78.0
 &rst     iat =   112,   114,   116,   133,
   r1 = -175.4, r2 = -174.4, r3 = -78.0, r4 = -77.0,
 &end

# 7 TYR PSI:  (7 TYR N)-(7 TYR CA)-(7 TYR C)-(8 LYS N) 107.3 170.8
 &rst     iat =   114,   116,   133,   135,
   r1 = 106.3, r2 = 107.3, r3 = 170.8, r4 = 171.8,
 &end

# 8 LYS PHI:  (7 TYR C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -160.1 -79.5
 &rst     iat =   133,   135,   137,   155,
   r1 = -161.1, r2 = -160.1, r3 = -79.5, r4 = -78.5,
 &end

# 8 LYS PSI:  (8 LYS N)-(8 LYS CA)-(8 LYS C)-(9 ASN N) 103.8 146.1
 &rst     iat =   135,   137,   155,   157,
   r1 = 102.8, r2 = 103.8, r3 = 146.1, r4 = 147.1,
 &end

# 9 ASN PHI:  (8 LYS C)-(9 ASN N)-(9 ASN CA)-(9 ASN C) -150.6 -41.8
 &rst     iat =   155,   157,   159,   169,
   r1 = -151.6, r2 = -150.6, r3 = -41.8, r4 = -40.8,
 &end

# 9 ASN PSI:  (9 ASN N)-(9 ASN CA)-(9 ASN C)-(10 PRO N)  64.2 162.5
 &rst     iat =   157,   159,   169,   171,
   r1 =  63.2, r2 =  64.2, r3 = 162.5, r4 = 163.5,
 &end

# 11 HIS PHI:  (10 PRO C)-(11 HIS N)-(11 HIS CA)-(11 HIS C) -88.7 -48.7
 &rst     iat =   183,   185,   187,   201,
   r1 = -89.7, r2 = -88.7, r3 = -48.7, r4 = -47.7,
 &end

# 11 HIS PSI:  (11 HIS N)-(11 HIS CA)-(11 HIS C)-(12 THR N) -69.7   4.6
 &rst     iat =   185,   187,   201,   203,
   r1 = -70.7, r2 = -69.7, r3 =   4.6, r4 =   5.6,
 &end

# 12 THR PHI:  (11 HIS C)-(12 THR N)-(12 THR CA)-(12 THR C) -147.7 -76.5
 &rst     iat =   201,   203,   205,   215,
   r1 = -148.7, r2 = -147.7, r3 = -76.5, r4 = -75.5,
 &end

# 12 THR PSI:  (12 THR N)-(12 THR CA)-(12 THR C)-(13 GLY N) -33.0  35.4
 &rst     iat =   203,   205,   215,   217,
   r1 = -34.0, r2 = -33.0, r3 =  35.4, r4 =  36.4,
 &end

# 14 GLU PHI:  (13 GLY C)-(14 GLU N)-(14 GLU CA)-(14 GLU C) -138.0 -38.9
 &rst     iat =   222,   224,   226,   237,
   r1 = -139.0, r2 = -138.0, r3 = -38.9, r4 = -37.9,
 &end

# 14 GLU PSI:  (14 GLU N)-(14 GLU CA)-(14 GLU C)-(15 VAL N) 112.0 170.2
 &rst     iat =   224,   226,   237,   239,
   r1 = 111.0, r2 = 112.0, r3 = 170.2, r4 = 171.2,
 &end

# 15 VAL PHI:  (14 GLU C)-(15 VAL N)-(15 VAL CA)-(15 VAL C) -163.5 -89.6
 &rst     iat =   237,   239,   241,   253,
   r1 = -164.5, r2 = -163.5, r3 = -89.6, r4 = -88.6,
 &end

# 15 VAL PSI:  (15 VAL N)-(15 VAL CA)-(15 VAL C)-(16 ILE N) 103.3 176.3
 &rst     iat =   239,   241,   253,   255,
   r1 = 102.3, r2 = 103.3, r3 = 176.3, r4 = 177.3,
 &end

# 16 ILE PHI:  (15 VAL C)-(16 ILE N)-(16 ILE CA)-(16 ILE C) -148.1 -108.1
 &rst     iat =   253,   255,   257,   272,
   r1 = -149.1, r2 = -148.1, r3 = -108.1, r4 = -107.1,
 &end

# 16 ILE PSI:  (16 ILE N)-(16 ILE CA)-(16 ILE C)-(17 GLU N) 116.4 175.2
 &rst     iat =   255,   257,   272,   274,
   r1 = 115.4, r2 = 116.4, r3 = 175.2, r4 = 176.2,
 &end

# 17 GLU PHI:  (16 ILE C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -155.3 -88.7
 &rst     iat =   272,   274,   276,   287,
   r1 = -156.3, r2 = -155.3, r3 = -88.7, r4 = -87.7,
 &end

# 17 GLU PSI:  (17 GLU N)-(17 GLU CA)-(17 GLU C)-(18 THR N) 114.3 154.3
 &rst     iat =   274,   276,   287,   289,
   r1 = 113.3, r2 = 114.3, r3 = 154.3, r4 = 155.3,
 &end

# 18 THR PHI:  (17 GLU C)-(18 THR N)-(18 THR CA)-(18 THR C) -159.9 -94.2
 &rst     iat =   287,   289,   291,   301,
   r1 = -160.9, r2 = -159.9, r3 = -94.2, r4 = -93.2,
 &end

# 18 THR PSI:  (18 THR N)-(18 THR CA)-(18 THR C)-(19 LYS N) 103.1 170.4
 &rst     iat =   289,   291,   301,   303,
   r1 = 102.1, r2 = 103.1, r3 = 170.4, r4 = 171.4,
 &end

# 20 GLY PHI:  (19 LYS C)-(20 GLY N)-(20 GLY CA)-(20 GLY C)   0.0 179.0
 &rst     iat =   323,   325,   327,   330,
   r1 =  -1.0, r2 =   0.0, r3 = 179.0, r4 = 180.0,
 &end

# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 GLY N) -179.0   0.0
 &rst     iat =   325,   327,   330,   332,
   r1 = -180.0, r2 = -179.0, r3 =   0.0, r4 =   1.0,
 &end

# 21 GLY PHI:  (20 GLY C)-(21 GLY N)-(21 GLY CA)-(21 GLY C)   0.0 179.0
 &rst     iat =   330,   332,   334,   337,
   r1 =  -1.0, r2 =   0.0, r3 = 179.0, r4 = 180.0,
 &end

# 21 GLY PSI:  (21 GLY N)-(21 GLY CA)-(21 GLY C)-(22 ASN N)   0.0 179.0
 &rst     iat =   332,   334,   337,   339,
   r1 =  -1.0, r2 =   0.0, r3 = 179.0, r4 = 180.0,
 &end

# 22 ASN PHI:  (21 GLY C)-(22 ASN N)-(22 ASN CA)-(22 ASN C) -123.5 -58.6
 &rst     iat =   337,   339,   341,   351,
   r1 = -124.5, r2 = -123.5, r3 = -58.6, r4 = -57.6,
 &end

# 22 ASN PSI:  (22 ASN N)-(22 ASN CA)-(22 ASN C)-(23 HIS N)  81.0 186.8
 &rst     iat =   339,   341,   351,   353,
   r1 =  80.0, r2 =  81.0, r3 = 186.8, r4 = 187.8,
 &end

# 23 HIS PHI:  (22 ASN C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -130.0 -23.6
 &rst     iat =   351,   353,   355,   369,
   r1 = -131.0, r2 = -130.0, r3 = -23.6, r4 = -22.6,
 &end

# 23 HIS PSI:  (23 HIS N)-(23 HIS CA)-(23 HIS C)-(24 LYS N) 107.5 151.4
 &rst     iat =   353,   355,   369,   371,
   r1 = 106.5, r2 = 107.5, r3 = 151.4, r4 = 152.4,
 &end

# 24 LYS PHI:  (23 HIS C)-(24 LYS N)-(24 LYS CA)-(24 LYS C) -79.3 -39.3
 &rst     iat =   369,   371,   373,   391,
   r1 = -80.3, r2 = -79.3, r3 = -39.3, r4 = -38.3,
 &end

# 24 LYS PSI:  (24 LYS N)-(24 LYS CA)-(24 LYS C)-(25 THR N) -64.7  -8.8
 &rst     iat =   371,   373,   391,   393,
   r1 = -65.7, r2 = -64.7, r3 =  -8.8, r4 =  -7.8,
 &end

# 25 THR PHI:  (24 LYS C)-(25 THR N)-(25 THR CA)-(25 THR C) -84.4 -44.4
 &rst     iat =   391,   393,   395,   405,
   r1 = -85.4, r2 = -84.4, r3 = -44.4, r4 = -43.4,
 &end

# 25 THR PSI:  (25 THR N)-(25 THR CA)-(25 THR C)-(26 LEU N) -61.9 -21.9
 &rst     iat =   393,   395,   405,   407,
   r1 = -62.9, r2 = -61.9, r3 = -21.9, r4 = -20.9,
 &end

# 26 LEU PHI:  (25 THR C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -83.0 -43.0
 &rst     iat =   405,   407,   409,   424,
   r1 = -84.0, r2 = -83.0, r3 = -43.0, r4 = -42.0,
 &end

# 26 LEU PSI:  (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 LYS N) -65.8 -25.8
 &rst     iat =   407,   409,   424,   426,
   r1 = -66.8, r2 = -65.8, r3 = -25.8, r4 = -24.8,
 &end

# 27 LYS PHI:  (26 LEU C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -80.9 -40.9
 &rst     iat =   424,   426,   428,   446,
   r1 = -81.9, r2 = -80.9, r3 = -40.9, r4 = -39.9,
 &end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 GLU N) -58.2 -18.2
 &rst     iat =   426,   428,   446,   448,
   r1 = -59.2, r2 = -58.2, r3 = -18.2, r4 = -17.2,
 &end

# 28 GLU PHI:  (27 LYS C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -84.9 -44.9
 &rst     iat =   446,   448,   450,   461,
   r1 = -85.9, r2 = -84.9, r3 = -44.9, r4 = -43.9,
 &end

# 28 GLU PSI:  (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 TRP N) -62.9 -22.9
 &rst     iat =   448,   450,   461,   463,
   r1 = -63.9, r2 = -62.9, r3 = -22.9, r4 = -21.9,
 &end

# 29 TRP PHI:  (28 GLU C)-(29 TRP N)-(29 TRP CA)-(29 TRP C) -84.8 -44.8
 &rst     iat =   461,   463,   465,   485,
   r1 = -85.8, r2 = -84.8, r3 = -44.8, r4 = -43.8,
 &end

# 29 TRP PSI:  (29 TRP N)-(29 TRP CA)-(29 TRP C)-(30 LYS N) -60.1 -20.1
 &rst     iat =   463,   465,   485,   487,
   r1 = -61.1, r2 = -60.1, r3 = -20.1, r4 = -19.1,
 &end

# 30 LYS PHI:  (29 TRP C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -83.1 -43.1
 &rst     iat =   485,   487,   489,   507,
   r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 ALA N) -59.2 -19.2
 &rst     iat =   487,   489,   507,   509,
   r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2,
 &end

# 31 ALA PHI:  (30 LYS C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -87.4 -47.4
 &rst     iat =   507,   509,   511,   517,
   r1 = -88.4, r2 = -87.4, r3 = -47.4, r4 = -46.4,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LYS N) -59.7 -19.7
 &rst     iat =   509,   511,   517,   519,
   r1 = -60.7, r2 = -59.7, r3 = -19.7, r4 = -18.7,
 &end

# 32 LYS PHI:  (31 ALA C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -88.7 -48.7
 &rst     iat =   517,   519,   521,   539,
   r1 = -89.7, r2 = -88.7, r3 = -48.7, r4 = -47.7,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 TRP N) -58.0 -18.0
 &rst     iat =   519,   521,   539,   541,
   r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
 &end

# 35 PRO PHI:  (34 GLY C)-(35 PRO N)-(35 PRO CA)-(35 PRO C) -75.3 -35.3
 &rst     iat =   570,   572,   582,   584,
   r1 = -76.3, r2 = -75.3, r3 = -35.3, r4 = -34.3,
 &end

# 35 PRO PSI:  (35 PRO N)-(35 PRO CA)-(35 PRO C)-(36 GLU N) -53.4 -13.4
 &rst     iat =   572,   582,   584,   586,
   r1 = -54.4, r2 = -53.4, r3 = -13.4, r4 = -12.4,
 &end

# 36 GLU PHI:  (35 PRO C)-(36 GLU N)-(36 GLU CA)-(36 GLU C) -85.3 -45.3
 &rst     iat =   584,   586,   588,   599,
   r1 = -86.3, r2 = -85.3, r3 = -45.3, r4 = -44.3,
 &end

# 36 GLU PSI:  (36 GLU N)-(36 GLU CA)-(36 GLU C)-(37 ALA N) -58.3 -18.3
 &rst     iat =   586,   588,   599,   601,
   r1 = -59.3, r2 = -58.3, r3 = -18.3, r4 = -17.3,
 &end

# 37 ALA PHI:  (36 GLU C)-(37 ALA N)-(37 ALA CA)-(37 ALA C) -84.3 -44.3
 &rst     iat =   599,   601,   603,   609,
   r1 = -85.3, r2 = -84.3, r3 = -44.3, r4 = -43.3,
 &end

# 37 ALA PSI:  (37 ALA N)-(37 ALA CA)-(37 ALA C)-(38 VAL N) -62.6 -22.6
 &rst     iat =   601,   603,   609,   611,
   r1 = -63.6, r2 = -62.6, r3 = -22.6, r4 = -21.6,
 &end

# 38 VAL PHI:  (37 ALA C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -85.7 -45.7
 &rst     iat =   609,   611,   613,   625,
   r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7,
 &end

# 38 VAL PSI:  (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 GLU N) -64.9 -24.9
 &rst     iat =   611,   613,   625,   627,
   r1 = -65.9, r2 = -64.9, r3 = -24.9, r4 = -23.9,
 &end

# 39 GLU PHI:  (38 VAL C)-(39 GLU N)-(39 GLU CA)-(39 GLU C) -82.5 -42.5
 &rst     iat =   625,   627,   629,   640,
   r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5,
 &end

# 39 GLU PSI:  (39 GLU N)-(39 GLU CA)-(39 GLU C)-(40 SER N) -61.8 -20.8
 &rst     iat =   627,   629,   640,   642,
   r1 = -62.8, r2 = -61.8, r3 = -20.8, r4 = -19.8,
 &end

# 40 SER PHI:  (39 GLU C)-(40 SER N)-(40 SER CA)-(40 SER C) -105.7 -54.9
 &rst     iat =   640,   642,   644,   651,
   r1 = -106.7, r2 = -105.7, r3 = -54.9, r4 = -53.9,
 &end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 TRP N) -42.3  10.9
 &rst     iat =   642,   644,   651,   653,
   r1 = -43.3, r2 = -42.3, r3 =  10.9, r4 =  11.9,
 &end

# 42 ALA PHI:  (41 TRP C)-(42 ALA N)-(42 ALA CA)-(42 ALA C) -137.1 -54.9
 &rst     iat =   675,   677,   679,   685,
   r1 = -138.1, r2 = -137.1, r3 = -54.9, r4 = -53.9,
 &end

# 42 ALA PSI:  (42 ALA N)-(42 ALA CA)-(42 ALA C)-(43 THR N)  80.7 167.9
 &rst     iat =   677,   679,   685,   687,
   r1 =  79.7, r2 =  80.7, r3 = 167.9, r4 = 168.9,
 &end

# 43 THR PHI:  (42 ALA C)-(43 THR N)-(43 THR CA)-(43 THR C) -157.2 -74.2
 &rst     iat =   685,   687,   689,   699,
   r1 = -158.2, r2 = -157.2, r3 = -74.2, r4 = -73.2,
 &end

# 43 THR PSI:  (43 THR N)-(43 THR CA)-(43 THR C)-(44 LEU N)  93.5 168.3
 &rst     iat =   687,   689,   699,   701,
   r1 =  92.5, r2 =  93.5, r3 = 168.3, r4 = 169.3,
 &end

# 44 LEU PHI:  (43 THR C)-(44 LEU N)-(44 LEU CA)-(44 LEU C) -139.5 -51.9
 &rst     iat =   699,   701,   703,   718,
   r1 = -140.5, r2 = -139.5, r3 = -51.9, r4 = -50.9,
 &end

# 44 LEU PSI:  (44 LEU N)-(44 LEU CA)-(44 LEU C)-(45 LEU N)  90.5 150.1
 &rst     iat =   701,   703,   718,   720,
   r1 =  89.5, r2 =  90.5, r3 = 150.1, r4 = 151.1,
 &end
# 764 atoms read from pdb file prm1.pdb.
# 22 ASN PSI:  (22 ASN N)-(22 ASN CA)-(22 ASN C)-(23 HIS N)  81.0 186.8
 &rst     iat =   339,   341,   351,   353,
   r1 =  80.0, r2 =  81.0, r3 = 186.8, r4 = 187.8,
   rk2 =   200.0, rk3 =   200.0,    &end

# 23 HIS PHI:  (22 ASN C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -130.0 -23.6
 &rst     iat =   351,   353,   355,   369,
   r1 = -131.0, r2 = -130.0, r3 = -23.6, r4 = -22.6,
 &end#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,23,21,22, &end
#
#  chirality for residue 2 atoms:  CG NE HD2 HD3
 &rst iat=20,26,24,25, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,35,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=39,44,42,43, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=41,47,45,46, &end
#
#  chirality for residue 3 atoms:  CD NZ HE2 HE3
 &rst iat=47,53,51,52, &end
#
#  chirality for residue 3 atoms:  CG CE HD2 HD3
 &rst iat=44,50,48,49, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=37,57,40,41, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=61,65,69,64, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=59,73,62,63, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=77,82,80,81, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=79,85,83,84, &end
#
#  chirality for residue 5 atoms:  CD NZ HE2 HE3
 &rst iat=85,91,89,90, &end
#
#  chirality for residue 5 atoms:  CG CE HD2 HD3
 &rst iat=82,88,86,87, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=75,95,78,79, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=101,107,105,106, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=97,112,100,101, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=114,133,117,118, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=137,142,140,141, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=139,145,143,144, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=145,151,149,150, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=142,148,146,147, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=135,155,138,139, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=159,164,162,163, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=157,169,160,161, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=181,175,179,180, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=178,172,176,177, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=175,171,173,174, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=171,183,182,178, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=185,201,188,189, &end
#
#  chirality for residue 12 atoms:  CA CG2 OG1 HB
 &rst iat=205,209,213,208, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=203,215,206,207, &end
#
#  chirality for residue 13 atoms:  N C HA2 HA3
 &rst iat=217,222,220,221, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=226,231,229,230, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=228,234,232,233, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=224,237,227,228, &end
#
#  chirality for residue 15 atoms:  CA CG1 CG2 HB
 &rst iat=241,245,249,244, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=239,253,242,243, &end
#
#  chirality for residue 16 atoms:  CA CG2 CG1 HB
 &rst iat=257,261,265,260, &end
#
#  chirality for residue 16 atoms:  CB CD1 HG12 HG13
 &rst iat=259,268,266,267, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=255,272,258,259, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=276,281,279,280, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=278,284,282,283, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=274,287,277,278, &end
#
#  chirality for residue 18 atoms:  CA CG2 OG1 HB
 &rst iat=291,295,299,294, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=289,301,292,293, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=305,310,308,309, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=307,313,311,312, &end
#
#  chirality for residue 19 atoms:  CD NZ HE2 HE3
 &rst iat=313,319,317,318, &end
#
#  chirality for residue 19 atoms:  CG CE HD2 HD3
 &rst iat=310,316,314,315, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=303,323,306,307, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=325,330,328,329, &end
#
#  chirality for residue 21 atoms:  N C HA2 HA3
 &rst iat=332,337,335,336, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=341,346,344,345, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=339,351,342,343, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=355,360,358,359, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=353,369,356,357, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=373,378,376,377, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=375,381,379,380, &end
#
#  chirality for residue 24 atoms:  CD NZ HE2 HE3
 &rst iat=381,387,385,386, &end
#
#  chirality for residue 24 atoms:  CG CE HD2 HD3
 &rst iat=378,384,382,383, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=371,391,374,375, &end
#
#  chirality for residue 25 atoms:  CA CG2 OG1 HB
 &rst iat=395,399,403,398, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=393,405,396,397, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=409,414,412,413, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=411,416,420,415, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=407,424,410,411, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=430,436,434,435, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=436,442,440,441, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=433,439,437,438, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=426,446,429,430, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=450,455,453,454, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=452,458,456,457, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=448,461,451,452, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=465,470,468,469, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=463,485,466,467, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=491,497,495,496, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=497,503,501,502, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=494,500,498,499, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=487,507,490,491, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=509,517,512,513, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=523,529,527,528, &end
#
#  chirality for residue 32 atoms:  CD NZ HE2 HE3
 &rst iat=529,535,533,534, &end
#
#  chirality for residue 32 atoms:  CG CE HD2 HD3
 &rst iat=526,532,530,531, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=519,539,522,523, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=543,548,546,547, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=541,563,544,545, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=565,570,568,569, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=582,576,580,581, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=579,573,577,578, &end
#
#  chirality for residue 35 atoms:  CG N HD2 HD3
 &rst iat=576,572,574,575, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=572,584,583,579, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=588,593,591,592, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=590,596,594,595, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=586,599,589,590, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=601,609,604,605, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=613,617,621,616, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=611,625,614,615, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=629,634,632,633, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=631,637,635,636, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=627,640,630,631, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=642,651,645,646, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=655,660,658,659, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=653,675,656,657, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=677,685,680,681, &end
#
#  chirality for residue 43 atoms:  CA CG2 OG1 HB
 &rst iat=689,693,697,692, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=687,699,690,691, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=703,708,706,707, &end
#
#  chirality for residue 44 atoms:  CB CD1 CD2 HG
 &rst iat=705,710,714,709, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=701,718,704,705, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=722,727,725,726, &end
#
#  chirality for residue 45 atoms:  CB CD1 CD2 HG
 &rst iat=724,729,733,728, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=720,737,723,724, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=739,744,742,743, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=748,753,751,752, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=746,762,749,750, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=39,37,35,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=61,59,57,39, &end
#
#  trans-omega constraint for residue 5
 &rst iat=77,75,73,61, &end
#
#  trans-omega constraint for residue 6
 &rst iat=99,97,95,77, &end
#
#  trans-omega constraint for residue 7
 &rst iat=116,114,112,99, &end
#
#  trans-omega constraint for residue 8
 &rst iat=137,135,133,116, &end
#
#  trans-omega constraint for residue 9
 &rst iat=159,157,155,137, &end
#
#  trans-omega constraint for residue 10
 &rst iat=181,171,169,159, &end
#
#  trans-omega constraint for residue 11
 &rst iat=187,185,183,181, &end
#
#  trans-omega constraint for residue 12
 &rst iat=205,203,201,187, &end
#
#  trans-omega constraint for residue 13
 &rst iat=219,217,215,205, &end
#
#  trans-omega constraint for residue 14
 &rst iat=226,224,222,219, &end
#
#  trans-omega constraint for residue 15
 &rst iat=241,239,237,226, &end
#
#  trans-omega constraint for residue 16
 &rst iat=257,255,253,241, &end
#
#  trans-omega constraint for residue 17
 &rst iat=276,274,272,257, &end
#
#  trans-omega constraint for residue 18
 &rst iat=291,289,287,276, &end
#
#  trans-omega constraint for residue 19
 &rst iat=305,303,301,291, &end
#
#  trans-omega constraint for residue 20
 &rst iat=327,325,323,305, &end
#
#  trans-omega constraint for residue 21
 &rst iat=334,332,330,327, &end
#
#  trans-omega constraint for residue 22
 &rst iat=341,339,337,334, &end
#
#  trans-omega constraint for residue 23
 &rst iat=355,353,351,341, &end
#
#  trans-omega constraint for residue 24
 &rst iat=373,371,369,355, &end
#
#  trans-omega constraint for residue 25
 &rst iat=395,393,391,373, &end
#
#  trans-omega constraint for residue 26
 &rst iat=409,407,405,395, &end
#
#  trans-omega constraint for residue 27
 &rst iat=428,426,424,409, &end
#
#  trans-omega constraint for residue 28
 &rst iat=450,448,446,428, &end
#
#  trans-omega constraint for residue 29
 &rst iat=465,463,461,450, &end
#
#  trans-omega constraint for residue 30
 &rst iat=489,487,485,465, &end
#
#  trans-omega constraint for residue 31
 &rst iat=511,509,507,489, &end
#
#  trans-omega constraint for residue 32
 &rst iat=521,519,517,511, &end
#
#  trans-omega constraint for residue 33
 &rst iat=543,541,539,521, &end
#
#  trans-omega constraint for residue 34
 &rst iat=567,565,563,543, &end
#
#  trans-omega constraint for residue 35
 &rst iat=582,572,570,567, &end
#
#  trans-omega constraint for residue 36
 &rst iat=588,586,584,582, &end
#
#  trans-omega constraint for residue 37
 &rst iat=603,601,599,588, &end
#
#  trans-omega constraint for residue 38
 &rst iat=613,611,609,603, &end
#
#  trans-omega constraint for residue 39
 &rst iat=629,627,625,613, &end
#
#  trans-omega constraint for residue 40
 &rst iat=644,642,640,629, &end
#
#  trans-omega constraint for residue 41
 &rst iat=655,653,651,644, &end
#
#  trans-omega constraint for residue 42
 &rst iat=679,677,675,655, &end
#
#  trans-omega constraint for residue 43
 &rst iat=689,687,685,679, &end
#
#  trans-omega constraint for residue 44
 &rst iat=703,701,699,689, &end
#
#  trans-omega constraint for residue 45
 &rst iat=722,720,718,703, &end
#
#  trans-omega constraint for residue 46
 &rst iat=741,739,737,722, &end
#
#  trans-omega constraint for residue 47
 &rst iat=748,746,744,741, &end
# 764 atoms read from pdb file prm1.pdb.
# 18 THR CHI1:  (18 THR N)-(18 THR CA)-(18 THR CB)-(18 THR OG1)  30.0 120.0
 &rst     iat =   289,   291,   293,   299,
   r1 =  29.0, r2 =  30.0, r3 = 120.0, r4 = 121.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 22 ASN CHI1:  (22 ASN N)-(22 ASN CA)-(22 ASN CB)-(22 ASN CG) 150.0 210.0
 &rst     iat =   339,   341,   343,   346,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 24 LYS CHI1:  (24 LYS N)-(24 LYS CA)-(24 LYS CB)-(24 LYS CG) 150.0 210.0
 &rst     iat =   371,   373,   375,   378,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 28 GLU CHI1:  (28 GLU N)-(28 GLU CA)-(28 GLU CB)-(28 GLU CG) 270.0 330.0
 &rst     iat =   448,   450,   452,   455,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 38 VAL CHI1:  (38 VAL N)-(38 VAL CA)-(38 VAL CB)-(38 VAL CG1) 150.0 210.0
 &rst     iat =   611,   613,   615,   617,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 39 GLU CHI1:  (39 GLU N)-(39 GLU CA)-(39 GLU CB)-(39 GLU CG) 270.0 330.0
 &rst     iat =   627,   629,   631,   634,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 19 LYS CHI2:  (19 LYS CA)-(19 LYS CB)-(19 LYS CG)-(19 LYS CD) 150.0 210.0
 &rst     iat =   305,   307,   310,   313,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 32 LYS CHI2:  (32 LYS CA)-(32 LYS CB)-(32 LYS CG)-(32 LYS CD) 150.0 210.0
 &rst     iat =   521,   523,   526,   529,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end#    53 DA  H1'           2 ARG  HB-         4.50    (#       1:50  Uniq)
 &rst
  ixpk= 1, nxpk= 50, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,

      rk2=25.0, rk3=25.0, ir6=1, ialtd=0,
 igr2=  18,  19,
 &end
#
#    53 DA  H1'           2 ARG  HG+         4.50    (#       2:50  Uniq)
 &rst
  ixpk= 2, nxpk= 50, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  21,  22,
 &end
#
#    53 DA  H1'           2 ARG  HG-         4.50    (#       3:50  Uniq)
 &rst
  ixpk= 3, nxpk= 50, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  21,  22,
 &end
#
#    53 DA  H1'           0 AMB  9-1:4       3.30    (#       4:50  Single Ambig   )
 &rst
  ixpk= 4, nxpk= 50, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=  24,  25,  24,  25,
 &end
#
#    53 DA  H2            0 AMB  9-1:5       4.20    (#       5:50  Single Ambig    )
 &rst
  ixpk= 5, nxpk= 50, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=  24,  25,  24,  25,
 &end
#
#    67 DA  H2            0 AMB  9-1:6       3.30    (#       6:50  Single Ambig)
 &rst
  ixpk= 6, nxpk= 50, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=  24,  25,  24,  25,
 &end
#
#    52 DT  H1'           0 AMB  9-1:7       5.00    (#       7:50  Single Ambig   )
 &rst
  ixpk= 7, nxpk= 50, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=  24,  25,  24,  25,
 &end
#
#    54 DT  H1'           0 AMB  9-1:8       4.00    (#       8:50  Single Ambig   )
 &rst
  ixpk= 8, nxpk= 50, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=  24,  25,  24,  25,
 &end
#
#    67 DA  H1'          19 LYS  HB+         5.50    (#       9:50  Uniq)
 &rst
  ixpk= 9, nxpk= 50, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 308, 309,
 &end
#
#    67 DA  H1'          19 LYS  HB-         5.50    (#      10:50  Uniq )
 &rst
  ixpk= 10, nxpk= 50, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 308, 309,
 &end
#
#    67 DA  H1'           0 AMB  9-1:14      5.00    (#      14:50  Single Ambig)
 &rst
  ixpk= 14, nxpk= 50, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 328, 329, 328, 329,
 &end
#
#    67 DA  H1'          20 GLY  HN          5.00    (#      15:50  Uniq)
 &rst
  ixpk= 15, nxpk= 50, iat=1375, 326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    65 DA  H1'          21 GLY  HA-         4.50    (#      16:50  Uniq)
 &rst
  ixpk= 16, nxpk= 50, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 335, 336,
 &end
#
#    55 DA  H1'          21 GLY  HA+         4.50    (#      17:50  Uniq)
 &rst
  ixpk= 17, nxpk= 50, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 335, 336,
 &end
#
#    65 DA  H2           21 GLY  HA+         5.00    (#      18:50  Uniq)
 &rst
  ixpk= 18, nxpk= 50, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 335, 336,
 &end
#
#    65 DA  H2           21 GLY  HA-         4.50    (#      19:50  Uniq)
 &rst
  ixpk= 19, nxpk= 50, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 335, 336,
 &end
#
#    65 DA  H2           22 ASN  HB+         4.00    (#      20:50  Uniq)
 &rst
  ixpk= 20, nxpk= 50, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 344, 345,
 &end
#
#    65 DA  H2           22 ASN  HB-         4.00    (#      21:50  Uniq)
 &rst
  ixpk= 21, nxpk= 50, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 344, 345,
 &end
#
#    55 DA  H2           22 ASN  HB+         3.30    (#      22:50  Uniq)
 &rst
  ixpk= 22, nxpk= 50, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#    55 DA  H2           22 ASN  HB-         3.30    (#      23:50  Uniq)
 &rst
  ixpk= 23, nxpk= 50, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#    63 DA  H2           22 ASN  HB+         5.00    (#      24:50  Uniq)
 &rst
  ixpk= 24, nxpk= 50, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 344, 345,
 &end
#
#    63 DA  H2           22 ASN  HB-         5.00    (#      25:50  Uniq  )
 &rst
  ixpk= 25, nxpk= 50, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 344, 345,
 &end
#
#    0 AMB  9-2:26       22 ASN  HB+         4.00    (#      26:50  Single Ambig)
 &rst
  ixpk= 26, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1311, 995,
 igr2= 344, 345,
 &end
#
#    0 AMB  9-2:27       22 ASN  HB-         4.00    (#      27:50  Single Ambig    )
 &rst
  ixpk= 27, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1311, 995,
 igr2= 344, 345,
 &end
#
#    63 DA  H2           22 ASN  HD2+        3.50    (#      28:50  Uniq)
 &rst
  ixpk= 28, nxpk= 50, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 349, 350,
 &end
#
#    63 DA  H2           22 ASN  HD2-        3.50    (#      29:50  Uniq)
 &rst
  ixpk= 29, nxpk= 50, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 349, 350,
 &end
#
#    55 DA  H2           22 ASN  HD2+        4.00    (#      30:50  Uniq)
 &rst
  ixpk= 30, nxpk= 50, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 349, 350,
 &end
#
#    55 DA  H2           22 ASN  HD2-        4.00    (#      31:50  Uniq )
 &rst
  ixpk= 31, nxpk= 50, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 349, 350,
 &end
#
#    65 DA  H2           22 ASN  HD2+        5.00    (#      32:50  Uniq)
 &rst
  ixpk= 32, nxpk= 50, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 349, 350,
 &end
#
#    65 DA  H2           22 ASN  HD2-        5.00    (#      33:50  Uniq   )
 &rst
  ixpk= 33, nxpk= 50, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 349, 350,
 &end
#
#    55 DA  H1'          22 ASN  HD2-        5.00    (#      34:50  Uniq)
 &rst
  ixpk= 34, nxpk= 50, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 349, 350,
 &end
#
#    64 DT  H1'          22 ASN  HD2-        5.00    (#      35:50  Uniq)
 &rst
  ixpk= 35, nxpk= 50, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 349, 350,
 &end
#
#    65 DA  H1'          22 ASN  HD2+        5.00    (#      36:50  Uniq)
 &rst
  ixpk= 36, nxpk= 50, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 349, 350,
 &end
#
#    64 DT  H1'          22 ASN  HD2+        5.00    (#      37:50  Uniq   )
 &rst
  ixpk= 37, nxpk= 50, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 349, 350,
 &end
#
#    55 DA  H1'          22 ASN  HN          5.00    (#      38:50  Uniq)
 &rst
  ixpk= 38, nxpk= 50, iat= 995, 340, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    65 DA  H1'          22 ASN  HN          3.50    (#      39:50  Uniq)
 &rst
  ixpk= 39, nxpk= 50, iat=1311, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    55 DA  H2           22 ASN  HN          5.00    (#      40:50  Uniq)
 &rst
  ixpk= 40, nxpk= 50, iat=1007, 340, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    65 DA  H2           22 ASN  HN          3.50    (#      41:50  Uniq)
 &rst
  ixpk= 41, nxpk= 50, iat=1323, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:42       22 ASN  HN          5.50    (#      42:50  Single Ambig)
 &rst
  ixpk= 42, nxpk= 50, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1311, 995,
 &end
#
#    56 DT  H1'          22 ASN  HD2-        3.60    (#      43:50  Uniq)
 &rst
  ixpk= 43, nxpk= 50, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 349, 350,
 &end
#
#    56 DT  H1'          22 ASN  HD2+        4.50    (#      44:50  Uniq)
 &rst
  ixpk= 44, nxpk= 50, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 349, 350,
 &end
#
#    64 DT  H1'          22 ASN  HB-         5.00    (#      45:50  Uniq)
 &rst
  ixpk= 45, nxpk= 50, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 344, 345,
 &end
#
#    0 AMB  9-2:46        0 AMB  9-1:46      3.50    (#      46:50  Double Ambig)
 &rst
  ixpk= 46, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 960, 989, 990, 957, 958, 992,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  9-2:47        0 AMB  9-1:47      4.00    (#      47:50  Double Ambig)
 &rst
  ixpk= 47, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 960, 989, 990, 957, 958, 992,
 igr2= 314, 315, 314, 315,
 &end
#
#    0 AMB  9-2:48       19 LYS  HG+         5.00    (#      48:50  Double Ambig)
 &rst
  ixpk= 48, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 960, 989, 990, 957, 958, 992,
 igr2= 311, 312,
 &end
#
#    0 AMB  9-2:49       19 LYS  HG-         5.00    (#      49:50  Double Ambig)
 &rst
  ixpk= 49, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 960, 989, 990, 957, 958, 992,
 igr2= 311, 312,
 &end
#
#    0 AMB  9-2:50        0 AMB  9-1:50      5.00    (#      50:50  Double Ambig   )
 &rst
  ixpk= 50, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1404,1401,1402,
 igr2=  48,  49,  48,  49,
 &end
#
#    0 AMB  9-2:51        0 AMB  9-1:51      5.00    (#      51:50  Double Ambig)
 &rst
  ixpk= 51, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1404,1401,1402,
 igr2=  51,  52,  51,  52,
 &end
#
#    0 AMB  9-2:54        0 AMB  9-1:54      5.00    (#      54:50  Double Ambig         )
 &rst
  ixpk= 54, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1024,1021,1022,
 igr2= 376, 377, 376, 377,
 &end
#
#    0 AMB  9-2:55        0 AMB  9-1:55      5.00    (#      55:50  Double Ambig)
 &rst
  ixpk= 55, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1024,1021,1022,1056,1053,1054,
 igr2= 382, 383, 382, 383,
 &end
#
#    0 AMB  9-2:56        0 AMB  9-1:56      5.00    (#      56:50  Double Ambig   )
 &rst
  ixpk= 56, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1056,1053,1054,
 igr2= 385, 386, 385, 386,
 &end
#
#  2 ARG  HH22     52 THY  O2       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  34, 913, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
#  2 ARG  HH21     68 THY  O2       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  33,1421, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 21 GLY  HN       66 THY  O2       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 333,1357, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 22 ASN  HN       65 ADE  N3       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 340,1324, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 22 ASN  HD21     56 THY  O2       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1041, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 22 ASN  HD22     64 THY  O2       1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 350,1293, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  2 ARG  NH2      52 THY  O2       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  32, 913, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  2 ARG  NH2      68 THY  O2       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  32,1421, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 21 GLY  N        66 THY  O2       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 332,1357, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 22 ASN  N        65 ADE  N3       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 339,1324, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 22 ASN  ND2      56 THY  O2       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 348,1041, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 22 ASN  ND2      64 THY  O2       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 348,1293, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#  5 LYS  HN      18 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 302, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 18 THR  HN       5 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  96, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  7 TYR  HN      16 ILE  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 273, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 ILE  HN       7 TYR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 134, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  9 ASN  HN      14 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 238, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  6 GLN  HN      43 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 700, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 43 THR  HN       6 GLN  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 113, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 41 TRP  HN      37 ALA  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 610, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 40 SER  HN      36 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 600, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 39 GLU  HN      35 PRO  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 585, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 32 LYS  HN      28 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 462, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 ALA  HN      27 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 447, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 30 LYS  HN      26 LEU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 425, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 29 TRP  HN      25 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 406, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 28 GLU  HN      24 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 392, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 45 LEU  HN       4 VAL  O       1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  74, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  5 LYS  N      18 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 302, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 18 THR  N       5 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  96, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  7 TYR  N      16 ILE  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 273, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 ILE  N       7 TYR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 134, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  9 ASN  N      14 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 238, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  6 GLN  N      43 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 700, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 43 THR  N       6 GLN  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 113, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 41 TRP  N      37 ALA  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 610, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 40 SER  N      36 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 600, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 39 GLU  N      35 PRO  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 585, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 32 LYS  N      28 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 462, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 31 ALA  N      27 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 447, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 30 LYS  N      26 LEU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 425, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 29 TRP  N      25 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 406, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 28 GLU  N      24 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 392, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 45 LEU  N       4 VAL  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  74, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end#    0 AMB  20-2:0       38 VAL  HA          3.50    (#      0:20  Single Ambig)
 &rst
  ixpk= 0, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 654, 628,
 &end
#
#    2 ARG  HN            1 ALA  HA          2.20    (#      1:20  Unique         2.25, 2.27 A)
 &rst
  ixpk= 1, nxpk= 20, iat=  14,   6, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    1 ALA  HN            1 ALA  HA          3.50    (#      2:20  Unique         2.84, 4.87 A)
 &rst
  ixpk= 2, nxpk= 20, iat=   2,   6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3        1 ALA  HA          6.00    (#      3:20  Single Ambig)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  24,  25,  24,  25,
 &end
#
#    0 AMB  20-2:7        1 ALA  HA          6.00    (#      7:20  Single Ambig)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  48,  49,  48,  49,
 &end
#
#    0 AMB  20-2:8        1 ALA  HA          2.20    (#      8:20  Single Ambig)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr1=   8,   9,  10,  45,  46,
 &end
#
#    2 ARG  HN            1 ALA  MB          2.60    (#      9:20  Unique         2.27, 3.18 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=   8,   9,  10,
 &end
#
#    1 ALA  HN            1 ALA  MB          2.20    (#     12:20  Unique         1.46, 4.07 A)
 &rst
  ixpk= 12, nxpk= 20, iat=   2,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2=   8,   9,  10,
 &end
#
#    1 ALA  HA            1 ALA  MB          2.20    (#     15:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 15, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:17       1 ALA  MB          6.00    (#     17:20  Single Ambig)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  51,  52,  51,  52,
 igr2=   8,   9,  10,
 &end
#
#    2 ARG  HB+           1 ALA  MB          6.00    (#     20:20  Unique         3.77, 5.45 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  18,  19,
 igr2=   8,   9,  10,
 &end
#
#    3 LYS  HB+           1 ALA  MB          6.00    (#     22:20  Unique         4.77, 6.88 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  42,  43,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:23       1 ALA  MB          3.50    (#     23:20  Single Ambig)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  48,  49,  48,  49,
 igr2=   8,   9,  10,
 &end
#
#    3 LYS  HN            2 ARG  HA          2.60    (#     24:20  Unique         2.25, 2.54 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  38,  16, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:25       2 ARG  HA          3.50    (#     25:20  Single Ambig)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  24,  25,  24,  25,
 &end
#
#    2 ARG  HB+           2 ARG  HA          2.60    (#     26:20  Unique         2.60, 2.85 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  18,  19,
 &end
#
#    2 ARG  HG-           2 ARG  HA          2.60    (#     27:20  Unique         2.43, 3.12 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  21,  22,
 &end
#
#    0 AMB  20-2:28       2 ARG  HA          4.50    (#     28:20  Single Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  42,  43,
 &end
#
#    3 LYS  HG-           2 ARG  HA          6.00    (#     29:20  Unique         3.01, 5.57 A)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  45,  46,
 &end
#
#    0 AMB  20-2:30       2 ARG  HA          6.00    (#     30:20  Single Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=  45,  46,   8,   9,  10,
 &end
#
#    2 ARG  HG+           2 ARG  HA          2.60    (#     31:20  Unique         2.43, 3.12 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  21,  22,
 &end
#
#    2 ARG  HN            2 ARG  HB+         3.50    (#     32:20  Unique         1.98, 2.90 A)
 &rst
  ixpk= 32, nxpk= 20, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#    2 ARG  HN            2 ARG  HB-         3.50    (#     33:20  Unique         1.98, 2.90 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#    2 ARG  HA            2 ARG  HB+         3.50    (#     37:20  Unique         2.60, 2.85 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#    2 ARG  HA            2 ARG  HB-         2.60    (#     40:20  Unique         2.60, 2.85 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:44       0 AMB  20-1:44     3.50    (#     44:20  Double Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  24,  25,  24,  25,
 igr2=  18,  19,  18,  19,
 &end
#
#    0 AMB  20-2:45       2 ARG  HB-         3.50    (#     45:20  Single Ambig)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  24,  25,  24,  25,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:47       0 AMB  20-1:47     6.00    (#     47:20  Double Ambig)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=   8,   9,  10,
 igr2=  18,  19,
 &end
#
#    2 ARG  HN            2 ARG  HG-         3.50    (#     49:20  Unique         2.39, 3.59 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  21,  22,
 &end
#
#    2 ARG  HN            2 ARG  HG+         3.50    (#     50:20  Unique         2.39, 3.59 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  21,  22,
 &end
#
#    2 ARG  HE            2 ARG  HG-         6.00    (#     51:20  Unique)
 &rst
  ixpk= 51, nxpk= 20, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  21,  22,
 &end
#
#    2 ARG  HE            2 ARG  HG+         6.00    (#     52:20  Unique)
 &rst
  ixpk= 52, nxpk= 20, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  21,  22,
 &end
#
#    2 ARG  HA            2 ARG  HG+         3.50    (#     53:20  Unique         2.43, 3.12 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  21,  22,
 &end
#
#    2 ARG  HA            2 ARG  HG-         3.50    (#     54:20  Unique         2.43, 3.12 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:57       2 ARG  HG-         2.60    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  24,  25,  24,  25,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:58       0 AMB  20-1:58     3.50    (#     58:20  Double Ambig)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  24,  25,  24,  25,
 igr2=  21,  22,  21,  22,
 &end
#
#    2 ARG  HB+           2 ARG  HG-         2.20    (#     59:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  18,  19,
 igr2=  21,  22,
 &end
#
#    2 ARG  HB+           2 ARG  HG+         2.20    (#     60:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  18,  19,
 igr2=  21,  22,
 &end
#
#    1 ALA  MB            2 ARG  HG+         6.00    (#     62:20  Unique         3.24, 6.47 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=   8,   9,  10,
 igr2=  21,  22,
 &end
#
#    2 ARG  HN            0 AMB  20-1:63     3.50    (#     63:20  Single Ambig)
 &rst
  ixpk= 63, nxpk= 20, iat=  14,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  24,  25,  24,  25,
 &end
#
#    2 ARG  HE            0 AMB  20-1:65     3.50    (#     65:20  Single Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  24,  25,  24,  25,
 &end
#
#    2 ARG  HA            0 AMB  20-1:72     2.60    (#     72:20  Single Ambig)
 &rst
  ixpk= 72, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=  24,  25,  24,  25,
 &end
#
#    0 AMB  20-2:75       0 AMB  20-1:75     2.60    (#     75:20  Double Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  21,  22,  21,  22,
 igr2=  24,  25,  24,  25,
 &end
#
#    2 ARG  HG-           0 AMB  20-1:76     2.20    (#     76:20  Single Ambig)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  21,  22,
 igr2=  24,  25,  24,  25,
 &end
#
#    0 AMB  20-2:77       0 AMB  20-1:77     2.60    (#     77:20  Double Ambig)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  18,  19,  18,  19,
 igr2=  24,  25,  24,  25,
 &end
#
#    3 LYS  HN            3 LYS  HA          3.50    (#     82:20  Unique         2.77, 2.88 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  38,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 VAL  HN            3 LYS  HA          2.20    (#     83:20  Unique         2.04, 2.11 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  60,  40, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  20-2:84       3 LYS  HA          6.00    (#     84:20  Single Ambig)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 742, 743, 742, 743,  62,
 &end
#
#    0 AMB  20-2:85       3 LYS  HA          6.00    (#     85:20  Single Ambig)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  51,  52,  51,  52,
 &end
#
#    3 LYS  HB+           3 LYS  HA          2.60    (#     87:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  42,  43,
 &end
#
#    0 AMB  20-2:89       3 LYS  HA          3.50    (#     89:20  Single Ambig)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  42,  43,  48,  49,  48,  49,
 &end
#
#    0 AMB  20-2:90       3 LYS  HA          4.50    (#     90:20  Single Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  64,  40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 LYS  HG-           3 LYS  HA          2.60    (#     91:20  Unique         2.43, 2.82 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  45,  46,
 &end
#
#    3 LYS  HG+           3 LYS  HA          2.60    (#     92:20  Unique         2.43, 2.82 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  45,  46,
 &end
#
#    4 VAL  MGY           3 LYS  HA          3.50    (#     93:20  Unique         3.69, 5.65 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:94       3 LYS  HA          3.50    (#     94:20  Single Ambig)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  66,  67,  68,  70,  71,  72, 711, 712, 713, 715,
       716, 717,
 &end
#
#    3 LYS  HN            3 LYS  HB+         3.50    (#     96:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  42,  43,
 &end
#
#    3 LYS  HN            3 LYS  HB-         2.60    (#     97:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  42,  43,
 &end
#
#    0 AMB  20-2:98       0 AMB  20-1:98     6.00    (#     98:20  Double Ambig)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 721,  76,
 igr2=  42,  43,  42,  43,
 &end
#
#    0 AMB  20-2:99       3 LYS  HB-         6.00    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 721,  76,
 igr2=  42,  43,
 &end
#
#    0 AMB  20-2:100      0 AMB  20-1:100    3.50    (#    100:20  Double Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  60,   2,
 igr2=  42,  43,  42,  43,
 &end
#
#    0 AMB  20-2:101      3 LYS  HB-         3.50    (#    101:20  Single Ambig)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  60,   2,
 igr2=  42,  43,
 &end
#
#    8 LYS  HN            8 LYS  HB+         3.50    (#    102:20  Unique         2.59, 2.87 A)
 &rst
  ixpk= 102, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 140, 141,
 &end
#
#    8 LYS  HA            8 LYS  HB+         3.50    (#    103:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 103, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 140, 141,
 &end
#
#    3 LYS  HA            3 LYS  HB+         2.60    (#    104:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  42,  43,
 &end
#
#    3 LYS  HA            3 LYS  HB-         2.60    (#    105:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  42,  43,
 &end
#
#    2 ARG  HA            3 LYS  HB-         6.00    (#    106:20  Unique         4.40, 5.32 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  42,  43,
 &end
#
#    0 AMB  20-2:107      0 AMB  20-1:107    3.50    (#    107:20  Double Ambig)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  51,  52,  51,  52,
 igr2=  42,  43,  42,  43,  42,  43,
 &end
#
#    0 AMB  20-2:108      3 LYS  HB-         3.50    (#    108:20  Single Ambig)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  51,  52,  51,  52,
 igr2=  42,  43,
 &end
#
#    0 AMB  20-2:109      0 AMB  20-1:109    6.00    (#    109:20  Double Ambig)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 149, 150, 149, 150,
 igr2= 140, 141, 140, 141,
 &end
#
#    3 LYS  HG+           3 LYS  HB+         2.20    (#    110:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  45,  46,
 igr2=  42,  43,
 &end
#
#    3 LYS  HG+           3 LYS  HB-         2.20    (#    111:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  45,  46,
 igr2=  42,  43,
 &end
#
#    8 LYS  HG+           8 LYS  HB+         2.60    (#    112:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 143, 144,
 igr2= 140, 141,
 &end
#
#    0 AMB  20-2:113      0 AMB  20-1:113    2.60    (#    113:20  Double Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 143, 144, 711, 712, 713, 715, 716, 717,
 igr2= 140, 141,  42,  43,
 &end
#
#    0 AMB  20-2:114      0 AMB  20-1:114    2.20    (#    114:20  Double Ambig)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 246, 247, 248, 250, 251, 252, 246, 247, 248, 250,
       251, 252,
 igr2= 140, 141, 140, 141,
 &end
#
#    3 LYS  HN            3 LYS  HG-         3.50    (#    115:20  Unique         2.57, 3.26 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  45,  46,
 &end
#
#    3 LYS  HN            3 LYS  HG+         3.50    (#    116:20  Unique         2.57, 3.26 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  45,  46,
 &end
#
#    1 ALA  HN            3 LYS  HG+         3.50    (#    117:20  Unique         1.08, 2.29 A)
 &rst
  ixpk= 117, nxpk= 20, iat=   2,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  45,  46,
 &end
#
#    1 ALA  HN            3 LYS  HG-         3.50    (#    118:20  Unique         1.08, 2.29 A)
 &rst
  ixpk= 118, nxpk= 20, iat=   2,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  45,  46,
 &end
#
#    2 ARG  HA            3 LYS  HG-         6.00    (#    119:20  Unique         3.01, 5.57 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  45,  46,
 &end
#
#    2 ARG  HA            3 LYS  HG+         6.00    (#    120:20  Unique         3.01, 5.57 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  45,  46,
 &end
#
#    3 LYS  HA            3 LYS  HG+         2.60    (#    121:20  Unique         2.43, 2.82 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  45,  46,
 &end
#
#    3 LYS  HA            3 LYS  HG-         2.60    (#    122:20  Unique         2.43, 2.82 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=  45,  46,
 &end
#
#    0 AMB  20-2:125      0 AMB  20-1:125    2.60    (#    125:20  Double Ambig)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  51,  52,  51,  52,
 igr2=  45,  46,  45,  46,
 &end
#
#    0 AMB  20-2:126      3 LYS  HG-         2.60    (#    126:20  Single Ambig)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  51,  52,  51,  52,
 igr2=  45,  46,
 &end
#
#    3 LYS  HB+           3 LYS  HG-         2.20    (#    127:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  42,  43,
 igr2=  45,  46,
 &end
#
#    3 LYS  HB+           3 LYS  HG+         2.20    (#    128:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  42,  43,
 igr2=  45,  46,
 &end
#
#   44 LEU  MDX           3 LYS  HG+         2.60    (#    129:20  Unique         2.22, 5.14 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 711, 712, 713, 715, 716, 717,
 igr2=  45,  46,
 &end
#
#   44 LEU  MDY           3 LYS  HG-         6.00    (#    130:20  Unique         2.22, 5.14 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 711, 712, 713, 715, 716, 717,
 igr2=  45,  46,
 &end
#
#   24 LYS  HN            0 AMB  20-1:131    6.00    (#    131:20  Single Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 382, 383, 382, 383,
 &end
#
#    3 LYS  HN            0 AMB  20-1:132    3.50    (#    132:20  Single Ambig)
 &rst
  ixpk= 132, nxpk= 20, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  48,  49,  48,  49,
 &end
#
#    1 ALA  HN            0 AMB  20-1:134    3.50    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=   2,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  48,  49,  48,  49,
 &end
#
#    0 AMB  20-2:136      0 AMB  20-1:136    2.20    (#    136:20  Double Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 440, 441,  51,  52,  51,  52,  51,  52, 385, 386,
       385, 386, 385, 386,
 igr2= 437, 438,  48,  49,  48,  49,  48,  49, 382, 383,
       382, 383, 382, 383,
 &end
#
#    0 AMB  20-2:139      0 AMB  20-1:139    3.50    (#    139:20  Double Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 382, 383, 382, 383,
 &end
#
#    0 AMB  20-2:140      0 AMB  20-1:140    2.60    (#    140:20  Double Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 379, 380,
 igr2= 382, 383, 382, 383,
 &end
#
#   44 LEU  MDX           0 AMB  20-1:141    2.60    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 711, 712, 713, 715, 716, 717,
 igr2=  48,  49,  48,  49,
 &end
#
#    3 LYS  HN            0 AMB  20-1:143    6.00    (#    143:20  Single Ambig)
 &rst
  ixpk= 143, nxpk= 20, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  51,  52,  51,  52,
 &end
#
#    4 VAL  HN            0 AMB  20-1:144    6.00    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  51,  52,  51,  52,
 &end
#
#    0 AMB  20-2:147      0 AMB  20-1:147    6.00    (#    147:20  Double Ambig)
 &rst
  ixpk= 147, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  20-2:148      0 AMB  20-1:148    2.20    (#    148:20  Double Ambig)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  48,  49,  48,  49,  48,  49, 382, 383, 382, 383,
       382, 383,
 igr2=  51,  52,  51,  52,  51,  52, 385, 386, 385, 386,
       385, 386,
 &end
#
#    0 AMB  20-2:149      0 AMB  20-1:149    2.60    (#    149:20  Double Ambig)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 376, 377, 376, 377,
 igr2= 385, 386, 385, 386,
 &end
#
#    3 LYS  HG-           0 AMB  20-1:150    2.20    (#    150:20  Single Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  45,  46,
 igr2=  51,  52,  51,  52,
 &end
#
#    0 AMB  20-2:151      0 AMB  20-1:151    3.00    (#    151:20  Double Ambig)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 311, 312, 311, 312,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  20-2:152      0 AMB  20-1:152    2.20    (#    152:20  Double Ambig)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  45,  46,
 igr2=  51,  52,  51,  52,
 &end
#
#    0 AMB  20-2:153      0 AMB  20-1:153    4.50    (#    153:20  Double Ambig)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=  66,  67,  68,  70,  71,  72, 711, 712, 713, 715,
       716, 717,
 igr2= 317, 318, 317, 318,
 &end
#
#    4 VAL  MGY           0 AMB  20-1:154    2.60    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 317, 318, 317, 318,
 &end
#
#   18 THR  HN            4 VAL  HA          6.00    (#    155:20  Unique         4.29, 4.40 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 290,  62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 LYS  HN            4 VAL  HA          2.60    (#    156:20  Unique         2.12, 2.19 A)
 &rst
  ixpk= 156, nxpk= 20, iat=  76,  62, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    4 VAL  HN            4 VAL  HA          3.50    (#    157:20  Unique         2.83, 2.92 A)
 &rst
  ixpk= 157, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 LYS  HA            4 VAL  HA          6.00    (#    159:20  Unique         4.38, 4.45 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  40,  62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:160      4 VAL  HA          6.00    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 317, 318, 317, 318,
 &end
#
#    4 VAL  HB            4 VAL  HA          3.50    (#    161:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:162      4 VAL  HA          4.30    (#    162:20  Single Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  80,  81,
 &end
#
#   19 LYS  HG+           4 VAL  HA          3.50    (#    163:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 311, 312,
 &end
#
#   19 LYS  HG-           4 VAL  HA          3.50    (#    164:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 311, 312,
 &end
#
#    0 AMB  20-2:165      4 VAL  HA          6.00    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=  83,  84, 296, 297, 298,
 &end
#
#    4 VAL  MGY           4 VAL  HA          2.60    (#    166:20  Unique         2.43, 3.17 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  MGX           4 VAL  HA          2.60    (#    167:20  Unique         2.43, 3.17 A)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    6 GLN  HN            4 VAL  HB          6.00    (#    168:20  Unique         5.19, 5.38 A)
 &rst
  ixpk= 168, nxpk= 20, iat=  98,  64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:169      4 VAL  HB          3.50    (#    169:20  Single Ambig)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 721,  76,
 &end
#
#    4 VAL  HN            4 VAL  HB          2.60    (#    170:20  Unique         2.54, 2.61 A)
 &rst
  ixpk= 170, nxpk= 20, iat=  60,  64, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    3 LYS  HA            4 VAL  HB          6.00    (#    171:20  Unique         4.51, 4.65 A)
 &rst
  ixpk= 171, nxpk= 20, iat=  40,  64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 VAL  HA            4 VAL  HB          3.50    (#    172:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  HB-           4 VAL  HB          2.60    (#    174:20  Unique         2.04, 2.87 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 725, 726,
 &end
#
#    4 VAL  MGY           4 VAL  HB          2.20    (#    175:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#   45 LEU  MDX           4 VAL  HB          6.00    (#    176:20  Unique         2.36, 4.79 A)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#    4 VAL  MGX           4 VAL  HB          2.20    (#    177:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#   18 THR  HN            4 VAL  MGX         2.60    (#    178:20  Unique         2.79, 4.69 A)
 &rst
  ixpk= 178, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    6 GLN  HN            4 VAL  MGX         6.00    (#    179:20  Unique         3.82, 6.39 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:180      4 VAL  MGX         2.60    (#    180:20  Single Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  76, 721,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HN            4 VAL  MGX         6.00    (#    181:20  Unique         1.90, 3.82 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HN            4 VAL  MGY         2.20    (#    182:20  Unique         1.90, 3.82 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:183      4 VAL  MGY         6.00    (#    183:20  Single Ambig)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  76, 721,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   17 GLU  HA            4 VAL  MGX         3.50    (#    184:20  Unique         3.18, 5.20 A)
 &rst
  ixpk= 184, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   17 GLU  HA            4 VAL  MGY         6.00    (#    185:20  Unique         3.18, 5.20 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   18 THR  HA            4 VAL  MGY         3.50    (#    186:20  Unique         3.48, 5.38 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   18 THR  HA            4 VAL  MGX         6.00    (#    187:20  Unique         3.48, 5.38 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   47 HIS  HA            4 VAL  MGY         6.00    (#    188:20  Unique         4.49, 7.39 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    3 LYS  HA            4 VAL  MGX         6.00    (#    189:20  Unique         3.69, 5.65 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    3 LYS  HA            4 VAL  MGY         3.50    (#    190:20  Unique         3.69, 5.65 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HA            4 VAL  MGY         2.60    (#    192:20  Unique         2.43, 3.17 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HA            4 VAL  MGX         2.60    (#    193:20  Unique         2.43, 3.17 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:194      4 VAL  MGX         6.00    (#    194:20  Single Ambig)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 317, 318, 317, 318,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:195      4 VAL  MGY         2.60    (#    195:20  Single Ambig)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 317, 318, 317, 318,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   17 GLU  HG+           4 VAL  MGX         2.60    (#    197:20  Unique         2.70, 5.38 A)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 282, 283,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   17 GLU  HG+           4 VAL  MGY         6.00    (#    198:20  Unique         2.70, 5.38 A)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 282, 283,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:199      4 VAL  MGX         2.60    (#    199:20  Single Ambig)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 282, 283, 102, 103,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HB            4 VAL  MGY         2.20    (#    200:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:201      4 VAL  MGY         6.00    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 282, 283, 102, 103,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  HB            4 VAL  MGX         2.20    (#    202:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 202, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:203      4 VAL  MGY         3.50    (#    203:20  Single Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 314, 315, 314, 315,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:204      4 VAL  MGX         2.60    (#    204:20  Single Ambig)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 728, 725, 726,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    0 AMB  20-2:205      4 VAL  MGY         2.20    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 728, 725, 726,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   19 LYS  HG-           4 VAL  MGY         3.50    (#    206:20  Unique         2.23, 4.10 A)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 311, 312,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   19 LYS  HG-           4 VAL  MGX         3.50    (#    207:20  Unique         2.23, 4.10 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 311, 312,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#    6 GLN  HA            4 VAL  MGX         6.00    (#    210:20  Unique         3.71, 6.18 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   18 THR  HN            4 VAL  MGY         6.00    (#    212:20  Unique         2.79, 4.69 A)
 &rst
  ixpk= 212, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  66,  67,  68,  70,  71,  72,
 &end
#
#   18 THR  HN            5 LYS  HB+         6.00    (#    213:20  Unique         4.00, 4.30 A)
 &rst
  ixpk= 213, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#   18 THR  HN            5 LYS  HB-         6.00    (#    214:20  Unique         4.00, 4.30 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#    6 GLN  HN            5 LYS  HB-         3.50    (#    215:20  Unique         3.31, 3.94 A)
 &rst
  ixpk= 215, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  80,  81,
 &end
#
#    6 GLN  HN            5 LYS  HB+         3.50    (#    216:20  Unique         3.31, 3.94 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  80,  81,
 &end
#
#    5 LYS  HN            5 LYS  HB-         3.50    (#    219:20  Unique         2.41, 3.02 A)
 &rst
  ixpk= 219, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  80,  81,
 &end
#
#    5 LYS  HN            5 LYS  HB+         3.50    (#    220:20  Unique         2.41, 3.02 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  80,  81,
 &end
#
#    7 TYR  HD            5 LYS  HB+         6.00    (#    221:20  Unique         3.54, 5.10 A)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 132,
 igr2=  80,  81,
 &end
#
#    7 TYR  HD            5 LYS  HB-         6.00    (#    222:20  Unique         3.54, 5.10 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 132,
 igr2=  80,  81,
 &end
#
#    7 TYR  HE            5 LYS  HB-         3.50    (#    223:20  Unique         2.60, 4.00 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 125, 130,
 igr2=  80,  81,
 &end
#
#    7 TYR  HE            5 LYS  HB+         3.50    (#    224:20  Unique         2.60, 4.00 A)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 125, 130,
 igr2=  80,  81,
 &end
#
#   44 LEU  HA            5 LYS  HB+         6.00    (#    225:20  Unique         5.05, 5.34 A)
 &rst
  ixpk= 225, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#   44 LEU  HA            5 LYS  HB-         6.00    (#    226:20  Unique         5.05, 5.34 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#    4 VAL  HA            5 LYS  HB+         6.00    (#    227:20  Unique         4.35, 5.04 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#    0 AMB  20-2:228      5 LYS  HB-         3.50    (#    228:20  Single Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  89,  90,  89,  90,
 igr2=  80,  81,
 &end
#
#    0 AMB  20-2:229      0 AMB  20-1:229    3.50    (#    229:20  Double Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  89,  90,  89,  90,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 LYS  HD+           5 LYS  HB+         2.60    (#    230:20  Unique         2.35, 2.79 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  86,  87,
 igr2=  80,  81,
 &end
#
#    5 LYS  HD+           5 LYS  HB-         2.60    (#    231:20  Unique         2.35, 2.79 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  86,  87,
 igr2=  80,  81,
 &end
#
#    5 LYS  HG-           5 LYS  HB+         2.60    (#    232:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#   42 ALA  MB            5 LYS  HB+         3.50    (#    233:20  Unique         2.73, 4.49 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 682, 683, 684,
 igr2=  80,  81,
 &end
#
#   42 ALA  MB            5 LYS  HB-         2.60    (#    234:20  Unique         2.73, 4.49 A)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 682, 683, 684,
 igr2=  80,  81,
 &end
#
#    5 LYS  HG-           5 LYS  HB-         2.60    (#    235:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    4 VAL  MGY           5 LYS  HB+         6.00    (#    236:20  Unique         4.81, 6.86 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2=  80,  81,
 &end
#
#    4 VAL  MGY           5 LYS  HB-         6.00    (#    237:20  Unique         4.81, 6.86 A)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2=  80,  81,
 &end
#
#   18 THR  HN            5 LYS  HG-         6.00    (#    238:20  Unique         6.17, 6.33 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#   18 THR  HN            5 LYS  HG+         6.00    (#    239:20  Unique         6.17, 6.33 A)
 &rst
  ixpk= 239, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#    6 GLN  HN            5 LYS  HG+         6.00    (#    240:20  Unique         3.54, 4.10 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#    6 GLN  HN            5 LYS  HG-         3.50    (#    241:20  Unique         3.54, 4.10 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:242      5 LYS  HG-         3.50    (#    242:20  Single Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  76, 721,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:243      0 AMB  20-1:243    3.50    (#    243:20  Double Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  76, 721,
 igr2=  83,  84,  83,  84,
 &end
#
#    7 TYR  HE            5 LYS  HG-         6.00    (#    244:20  Unique         4.93, 5.84 A)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2=  83,  84,
 &end
#
#    7 TYR  HE            5 LYS  HG+         6.00    (#    245:20  Unique         4.93, 5.84 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2=  83,  84,
 &end
#
#   44 LEU  HA            5 LYS  HG+         6.00    (#    246:20  Unique         3.24, 3.51 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#   44 LEU  HA            5 LYS  HG-         3.50    (#    247:20  Unique         3.24, 3.51 A)
 &rst
  ixpk= 247, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:248      0 AMB  20-1:248    3.50    (#    248:20  Double Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  89,  90,  89,  90,
 igr2=  83,  84,  83,  84,
 &end
#
#    0 AMB  20-2:249      5 LYS  HG-         3.50    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  89,  90,  89,  90,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:250      0 AMB  20-1:250    3.50    (#    250:20  Double Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
 igr2=  83,  84,  83,  84,
 &end
#
#    0 AMB  20-2:251      5 LYS  HG-         3.50    (#    251:20  Single Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 682, 683, 684, 711, 712, 713, 715, 716, 717,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:252      5 LYS  HG-         2.60    (#    252:20  Single Ambig)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=  86,  87, 709, 706, 707,
 igr2=  83,  84,
 &end
#
#    5 LYS  HD-           5 LYS  HG-         2.60    (#    253:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  86,  87,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:254      5 LYS  HG-         6.00    (#    254:20  Single Ambig)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  64, 105, 106,
 igr2=  83,  84,
 &end
#
#   30 LYS  HN           30 LYS  HD-         6.00    (#    255:20  Unique         4.27, 5.32 A)
 &rst
  ixpk= 255, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 498, 499,
 &end
#
#    6 GLN  HN            5 LYS  HD-         6.00    (#    256:20  Unique         5.25, 5.79 A)
 &rst
  ixpk= 256, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  86,  87,
 &end
#
#    6 GLN  HN            5 LYS  HD+         6.00    (#    257:20  Unique         5.25, 5.79 A)
 &rst
  ixpk= 257, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  86,  87,
 &end
#
#    0 AMB  20-2:258      0 AMB  20-1:258    6.00    (#    258:20  Double Ambig)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  76, 721,
 igr2=  86,  87,  86,  87,
 &end
#
#    0 AMB  20-2:259      5 LYS  HD-         6.00    (#    259:20  Single Ambig)
 &rst
  ixpk= 259, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  86,  87,
 &end
#
#    7 TYR  HD            5 LYS  HD-         6.00    (#    260:20  Unique         5.16, 6.23 A)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 132,
 igr2=  86,  87,
 &end
#
#    7 TYR  HD            5 LYS  HD+         6.00    (#    261:20  Unique         5.16, 6.23 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 132,
 igr2=  86,  87,
 &end
#
#    7 TYR  HE            5 LYS  HD-         6.00    (#    262:20  Unique         3.60, 4.51 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2=  86,  87,
 &end
#
#    7 TYR  HE            5 LYS  HD+         6.00    (#    263:20  Unique         3.60, 4.51 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2=  86,  87,
 &end
#
#    4 VAL  HA            5 LYS  HD+         6.00    (#    264:20  Unique         6.16, 6.72 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  86,  87,
 &end
#
#    0 AMB  20-2:265      0 AMB  20-1:265    2.60    (#    265:20  Double Ambig)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  89,  90,  89,  90,
 igr2=  86,  87,  86,  87,
 &end
#
#    0 AMB  20-2:266      5 LYS  HD-         2.60    (#    266:20  Single Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  89,  90,  89,  90,
 igr2=  86,  87,
 &end
#
#   30 LYS  HE-          30 LYS  HD-         3.50    (#    267:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
#    5 LYS  HG+           5 LYS  HD+         2.20    (#    268:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  83,  84,
 igr2=  86,  87,
 &end
#
#    5 LYS  HB-           5 LYS  HD-         2.20    (#    269:20  Unique         2.35, 2.79 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  80,  81,
 igr2=  86,  87,
 &end
#
#    0 AMB  20-2:270      0 AMB  20-1:270    2.60    (#    270:20  Double Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 495, 496,  83,  84,
 igr2= 498, 499,  86,  87,
 &end
#
#    5 LYS  HG-           5 LYS  HD+         2.60    (#    271:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=  83,  84,
 igr2=  86,  87,
 &end
#
#   42 ALA  MB            5 LYS  HD+         2.60    (#    272:20  Unique         2.36, 3.95 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 682, 683, 684,
 igr2=  86,  87,
 &end
#
#   42 ALA  MB            5 LYS  HD-         2.60    (#    273:20  Unique         2.36, 3.95 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 682, 683, 684,
 igr2=  86,  87,
 &end
#
#   26 LEU  MDY           0 AMB  20-1:274    6.00    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 498, 499,  86,  87,
 &end
#
#   38 VAL  MGX          30 LYS  HD-         6.00    (#    275:20  Unique         4.57, 6.16 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:276      0 AMB  20-1:276    6.00    (#    276:20  Double Ambig)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 688,  98,
 igr2=  89,  90,  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:277      0 AMB  20-1:277    6.00    (#    277:20  Double Ambig)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  76, 721,
 igr2=  89,  90,  89,  90,  89,  90,
 &end
#
#    7 TYR  HD            0 AMB  20-1:278    6.00    (#    278:20  Single Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 123, 132,
 igr2=  89,  90,  89,  90,
 &end
#
#    7 TYR  HE            0 AMB  20-1:279    3.50    (#    279:20  Single Ambig)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 125, 130,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:280      0 AMB  20-1:280    6.00    (#    280:20  Double Ambig)
 &rst
  ixpk= 280, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:281      0 AMB  20-1:281    6.00    (#    281:20  Double Ambig)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 630, 690,
 igr2=  89,  90,  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:282      0 AMB  20-1:282    2.20    (#    282:20  Double Ambig)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=  86,  87,  86,  87, 706, 707, 706, 707,
 igr2=  89,  90,  89,  90,  89,  90,
 &end
#
#    5 LYS  HD-           0 AMB  20-1:283    2.20    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  86,  87,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:284      0 AMB  20-1:284    2.20    (#    284:20  Double Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1=  83,  84,  83,  84,  80,  81,
 igr2=  89,  90,  89,  90,
 &end
#
#    5 LYS  HG-           0 AMB  20-1:285    2.60    (#    285:20  Single Ambig)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  83,  84,
 igr2=  89,  90,  89,  90,
 &end
#
#   42 ALA  MB            0 AMB  20-1:286    2.20    (#    286:20  Single Ambig)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 682, 683, 684,
 igr2=  89,  90,  89,  90,
 &end
#
#    7 TYR  HN            6 GLN  HA          2.60    (#    288:20  Unique         2.15, 2.22 A)
 &rst
  ixpk= 288, nxpk= 20, iat= 115, 100, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   18 THR  HN            6 GLN  HA          3.50    (#    289:20  Unique         3.51, 3.56 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 290, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HN            6 GLN  HA          3.50    (#    290:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  HN            6 GLN  HA          6.00    (#    291:20  Unique         4.42, 4.48 A)
 &rst
  ixpk= 291, nxpk= 20, iat= 275, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 GLN  HE2+          6 GLN  HA          6.00    (#    292:20  Unique         4.15, 5.06 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 110, 111,
 &end
#
#    7 TYR  HD            6 GLN  HA          6.00    (#    293:20  Unique         3.28, 5.03 A)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#   17 GLU  HA            6 GLN  HA          2.20    (#    294:20  Unique         2.06, 2.11 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 277, 100, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    7 TYR  HA            6 GLN  HA          6.00    (#    295:20  Unique         4.47, 4.51 A)
 &rst
  ixpk= 295, nxpk= 20, iat= 117, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:296      6 GLN  HA          3.50    (#    296:20  Single Ambig)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 282, 283, 105, 106,
 &end
#
#    0 AMB  20-2:297      6 GLN  HA          2.60    (#    297:20  Single Ambig)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 102, 103, 282, 283,
 &end
#
#    6 GLN  HG-           6 GLN  HA          3.50    (#    298:20  Unique         3.03, 3.38 A)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 105, 106,
 &end
#
#    6 GLN  HB-           6 GLN  HA          2.60    (#    299:20  Unique         2.21, 2.61 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 102, 103,
 &end
#
#    0 AMB  20-2:300      6 GLN  HA          6.00    (#    300:20  Single Ambig)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 728, 260,
 &end
#
#    5 LYS  HB-           6 GLN  HA          6.00    (#    301:20  Unique         4.46, 5.01 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  80,  81,
 &end
#
#    0 AMB  20-2:302      6 GLN  HA          6.00    (#    302:20  Single Ambig)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 266, 267, 694, 695, 696,
 &end
#
#    0 AMB  20-2:303      6 GLN  HA          6.00    (#    303:20  Single Ambig)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 296, 297, 298,  83,  84,
 &end
#
#   45 LEU  MDY           6 GLN  HA          3.50    (#    304:20  Unique         3.30, 5.18 A)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#   15 VAL  MGX           6 GLN  HA          6.00    (#    305:20  Unique         4.50, 6.63 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    7 TYR  HB-           6 GLN  HA          6.00    (#    306:20  Unique         4.31, 5.04 A)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    7 TYR  HB+           6 GLN  HA          6.00    (#    307:20  Unique         4.31, 5.04 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    7 TYR  HN            6 GLN  HB+         6.00    (#    308:20  Unique         3.54, 3.94 A)
 &rst
  ixpk= 308, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    7 TYR  HN            6 GLN  HB-         6.00    (#    309:20  Unique         3.54, 3.94 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    6 GLN  HN            6 GLN  HB-         2.60    (#    310:20  Unique         2.19, 2.81 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 102, 103,
 &end
#
#    6 GLN  HN            6 GLN  HB+         2.60    (#    311:20  Unique         2.19, 2.81 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 102, 103,
 &end
#
#   24 LYS  HN           24 LYS  HB+         3.50    (#    312:20  Unique         2.19, 2.59 A)
 &rst
  ixpk= 312, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   25 THR  HN           24 LYS  HB+         3.50    (#    313:20  Unique         2.40, 3.19 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:314      0 AMB  20-1:314    4.30    (#    314:20  Double Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 721,  76,
 igr2= 102, 103, 102, 103,
 &end
#
#    6 GLN  HE2+          6 GLN  HB-         3.50    (#    315:20  Unique         2.47, 3.54 A)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 102, 103,
 &end
#
#    6 GLN  HE2+          6 GLN  HB+         3.50    (#    316:20  Unique         2.47, 3.54 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 102, 103,
 &end
#
#    6 GLN  HE2-          6 GLN  HB+         6.00    (#    317:20  Unique         2.47, 3.54 A)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 102, 103,
 &end
#
#    6 GLN  HE2-          6 GLN  HB-         6.00    (#    318:20  Unique         2.47, 3.54 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 102, 103,
 &end
#
#    6 GLN  HA            6 GLN  HB+         3.50    (#    319:20  Unique         2.21, 2.61 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#    6 GLN  HA            6 GLN  HB-         3.50    (#    320:20  Unique         2.21, 2.61 A)
 &rst
  ixpk= 320, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#   43 THR  HB            6 GLN  HB+         2.60    (#    321:20  Unique         2.21, 3.17 A)
 &rst
  ixpk= 321, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 102, 103,
 &end
#
#   24 LYS  HA           24 LYS  HB+         2.60    (#    322:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 376, 377,
 &end
#
#   14 GLU  HA           14 GLU  HB-         3.50    (#    323:20  Unique         2.50, 2.78 A)
 &rst
  ixpk= 323, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#    0 AMB  20-2:325      6 GLN  HB-         2.20    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 105, 106, 282, 283,
 igr2= 102, 103,
 &end
#
#    6 GLN  HG-           6 GLN  HB+         2.20    (#    326:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 105, 106,
 igr2= 102, 103,
 &end
#
#   43 THR  MG2           6 GLN  HB+         3.50    (#    327:20  Unique         3.60, 5.17 A)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 694, 695, 696,
 igr2= 102, 103,
 &end
#
#   43 THR  MG2           6 GLN  HB-         6.00    (#    328:20  Unique         3.60, 5.17 A)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 694, 695, 696,
 igr2= 102, 103,
 &end
#
#   45 LEU  MDY           6 GLN  HB+         2.60    (#    329:20  Unique         2.13, 3.55 A)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 102, 103,
 &end
#
#   15 VAL  MGX           6 GLN  HB+         3.50    (#    330:20  Unique         4.13, 6.45 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 102, 103,
 &end
#
#   45 LEU  MDY           6 GLN  HB-         2.20    (#    331:20  Unique         2.13, 3.55 A)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:332      6 GLN  HB-         3.50    (#    332:20  Single Ambig)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 246, 247, 248, 250, 251, 252,  66,  67,  68,  70,
        71,  72,
 igr2= 102, 103,
 &end
#
#   25 THR  MG2          14 GLU  HB-         6.00    (#    334:20  Unique         3.27, 4.50 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 229, 230,
 &end
#
#    7 TYR  HN            6 GLN  HG+         3.50    (#    335:20  Unique         2.47, 3.06 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 105, 106,
 &end
#
#    7 TYR  HN            6 GLN  HG-         3.50    (#    336:20  Unique         2.47, 3.06 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 105, 106,
 &end
#
#    6 GLN  HN            6 GLN  HG-         3.50    (#    337:20  Unique         3.71, 4.11 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 105, 106,
 &end
#
#    6 GLN  HN            6 GLN  HG+         3.50    (#    338:20  Unique         3.71, 4.11 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2+          6 GLN  HG+         2.60    (#    339:20  Unique         2.51, 3.49 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2+          6 GLN  HG-         3.50    (#    340:20  Unique         2.51, 3.49 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2-          6 GLN  HG+         3.50    (#    341:20  Unique         2.51, 3.49 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    6 GLN  HE2-          6 GLN  HG-         3.50    (#    342:20  Unique         2.51, 3.49 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 105, 106,
 &end
#
#    0 AMB  20-2:343      0 AMB  20-1:343    3.50    (#    343:20  Double Ambig)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 242, 277,
 igr2= 105, 106, 105, 106,
 &end
#
#    0 AMB  20-2:344      6 GLN  HG-         4.30    (#    344:20  Single Ambig)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 242, 277,
 igr2= 105, 106,
 &end
#
#    6 GLN  HA            6 GLN  HG+         3.50    (#    345:20  Unique         3.03, 3.38 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 105, 106,
 &end
#
#    6 GLN  HA            6 GLN  HG-         3.50    (#    346:20  Unique         3.03, 3.38 A)
 &rst
  ixpk= 346, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 105, 106,
 &end
#
#    6 GLN  HB+           6 GLN  HG+         2.20    (#    347:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 102, 103,
 igr2= 105, 106,
 &end
#
#    6 GLN  HB+           6 GLN  HG-         2.20    (#    348:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 102, 103,
 igr2= 105, 106,
 &end
#
#    6 GLN  HB-           6 GLN  HG-         2.20    (#    349:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 102, 103,
 igr2= 105, 106,
 &end
#
#    6 GLN  HB-           6 GLN  HG+         2.20    (#    350:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 102, 103,
 igr2= 105, 106,
 &end
#
#    0 AMB  20-2:351      6 GLN  HG-         6.00    (#    351:20  Single Ambig)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 146, 147, 146, 147, 728, 260,
 igr2= 105, 106,
 &end
#
#    0 AMB  20-2:352      0 AMB  20-1:352    3.50    (#    352:20  Double Ambig)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 146, 147, 146, 147, 728, 260,
 igr2= 105, 106, 105, 106, 105, 106, 105, 106,
 &end
#
#   15 VAL  MGX           6 GLN  HG+         3.50    (#    353:20  Unique         2.38, 4.78 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 105, 106,
 &end
#
#   45 LEU  MDY           6 GLN  HG+         3.50    (#    354:20  Unique         3.97, 5.56 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 105, 106,
 &end
#
#   15 VAL  MGX           6 GLN  HG-         2.60    (#    355:20  Unique         2.38, 4.78 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 105, 106,
 &end
#
#   45 LEU  MDY           6 GLN  HG-         3.50    (#    356:20  Unique         3.97, 5.56 A)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 105, 106,
 &end
#
#    0 AMB  20-2:357      0 AMB  20-1:357    6.00    (#    357:20  Double Ambig)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 702, 275,
 igr2= 105, 106, 105, 106,
 &end
#
#    0 AMB  20-2:358      6 GLN  HG-         6.00    (#    358:20  Single Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 702, 275,
 igr2= 105, 106,
 &end
#
#    7 TYR  HN            7 TYR  HB-         6.00    (#    359:20  Unique         2.48, 3.19 A)
 &rst
  ixpk= 359, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 119, 120,
 &end
#
#    7 TYR  HN            7 TYR  HB+         6.00    (#    360:20  Unique         2.48, 3.19 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 119, 120,
 &end
#
#    0 AMB  20-2:361      0 AMB  20-1:361    3.50    (#    361:20  Double Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 123, 132, 479,
 igr2= 119, 120, 119, 120,
 &end
#
#    0 AMB  20-2:362      7 TYR  HB-         3.50    (#    362:20  Single Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 132, 479,
 igr2= 119, 120,
 &end
#
#    7 TYR  HA            7 TYR  HB+         6.00    (#    363:20  Unique         2.51, 2.78 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 119, 120,
 &end
#
#    7 TYR  HA            7 TYR  HB-         6.00    (#    364:20  Unique         2.51, 2.78 A)
 &rst
  ixpk= 364, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 119, 120,
 &end
#
#   16 ILE  HG1+          7 TYR  HB+         6.00    (#    365:20  Unique         2.31, 3.63 A)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 266, 267,
 igr2= 119, 120,
 &end
#
#   16 ILE  HG1-          7 TYR  HB+         6.00    (#    366:20  Unique         2.31, 3.63 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 266, 267,
 igr2= 119, 120,
 &end
#
#   16 ILE  HB            7 TYR  HB+         6.00    (#    367:20  Unique         2.42, 3.43 A)
 &rst
  ixpk= 367, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 119, 120,
 &end
#
#    0 AMB  20-2:368      0 AMB  20-1:368    6.00    (#    368:20  Double Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 616,  80,  81, 140, 141,
 igr2= 119, 120, 119, 120, 119, 120,
 &end
#
#    8 LYS  HN            7 TYR  HB+         6.00    (#    369:20  Unique         3.30, 3.89 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 119, 120,
 &end
#
#    8 LYS  HN            7 TYR  HB-         6.00    (#    370:20  Unique         3.30, 3.89 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 119, 120,
 &end
#
#   16 ILE  MD1           7 TYR  HB+         6.00    (#    371:20  Unique         2.36, 3.62 A)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 269, 270, 271,
 igr2= 119, 120,
 &end
#
#    9 ASN  HN            8 LYS  HB-         6.00    (#    372:20  Unique         4.11, 4.34 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 140, 141,
 &end
#
#    8 LYS  HN            8 LYS  HB-         3.50    (#    373:20  Unique         2.59, 2.87 A)
 &rst
  ixpk= 373, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 140, 141,
 &end
#
#   15 VAL  HA            8 LYS  HB+         6.00    (#    374:20  Unique         3.71, 4.45 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 140, 141,
 &end
#
#   15 VAL  HA            8 LYS  HB-         6.00    (#    375:20  Unique         3.71, 4.45 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 140, 141,
 &end
#
#    8 LYS  HA            8 LYS  HB-         3.50    (#    376:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 376, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 140, 141,
 &end
#
#    0 AMB  20-2:377      8 LYS  HB-         6.00    (#    377:20  Single Ambig)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 149, 150, 149, 150,
 igr2= 140, 141,
 &end
#
#    0 AMB  20-2:378      8 LYS  HB-         2.60    (#    378:20  Single Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 143, 144, 246, 247, 248, 250, 251, 252,
 igr2= 140, 141,
 &end
#
#    8 LYS  HG+           8 LYS  HB-         2.60    (#    379:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 143, 144,
 igr2= 140, 141,
 &end
#
#    9 ASN  HN            8 LYS  HG+         6.00    (#    380:20  Unique         2.49, 3.39 A)
 &rst
  ixpk= 380, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 143, 144,
 &end
#
#    9 ASN  HN            8 LYS  HG-         6.00    (#    381:20  Unique         2.49, 3.39 A)
 &rst
  ixpk= 381, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 143, 144,
 &end
#
#    8 LYS  HN            0 AMB  20-1:382    6.00    (#    382:20  Single Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 143, 144, 176, 177,
 &end
#
#    8 LYS  HN            8 LYS  HG-         6.00    (#    383:20  Unique         4.43, 4.56 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 143, 144,
 &end
#
#   15 VAL  HA            8 LYS  HG+         6.00    (#    384:20  Unique         3.61, 4.56 A)
 &rst
  ixpk= 384, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 143, 144,
 &end
#
#    8 LYS  HA            8 LYS  HG+         3.50    (#    385:20  Unique         2.39, 2.92 A)
 &rst
  ixpk= 385, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 143, 144,
 &end
#
#    8 LYS  HA            8 LYS  HG-         3.50    (#    386:20  Unique         2.39, 2.92 A)
 &rst
  ixpk= 386, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 143, 144,
 &end
#
#   44 LEU  HA           44 LEU  MDY         6.00    (#    387:20  Unique         2.46, 3.97 A)
 &rst
  ixpk= 387, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:388      0 AMB  20-1:388    3.50    (#    388:20  Double Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 149, 150, 149, 150,
 igr2= 143, 144, 143, 144,
 &end
#
#    0 AMB  20-2:389      8 LYS  HG-         2.60    (#    389:20  Single Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 149, 150, 149, 150,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:390      0 AMB  20-1:390    3.50    (#    390:20  Double Ambig)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 173, 174, 173, 174,
 igr2= 176, 177, 143, 144,
 &end
#
#    0 AMB  20-2:391      0 AMB  20-1:391    3.50    (#    391:20  Double Ambig)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 173, 174, 105, 106,  64,
 igr2= 143, 144, 711, 712, 713, 715, 716, 717,
 &end
#
#    8 LYS  HB+           8 LYS  HG+         2.60    (#    392:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 140, 141,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:393      0 AMB  20-1:393    2.60    (#    393:20  Double Ambig)
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=  48,  49,  48,  49, 140, 141,  42,  43,
 igr2= 711, 712, 713, 715, 716, 717, 143, 144,
 &end
#
#    0 AMB  20-2:394      0 AMB  20-1:394    2.20    (#    394:20  Double Ambig)
 &rst
  ixpk= 394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 146, 147, 146, 147,
 igr2= 143, 144, 143, 144,
 &end
#
#    0 AMB  20-2:395      8 LYS  HG-         2.20    (#    395:20  Single Ambig)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 146, 147, 146, 147,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:396      0 AMB  20-1:396    2.20    (#    396:20  Double Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 140, 141, 179, 180,
 igr2= 143, 144, 176, 177,
 &end
#
#    0 AMB  20-2:397      0 AMB  20-1:397    2.20    (#    397:20  Double Ambig)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 709, 140, 141, 706, 707, 706, 707,
 igr2= 711, 712, 713, 715, 716, 717, 143, 144,
 &end
#
#   16 ILE  HN            0 AMB  20-1:398    6.00    (#    398:20  Single Ambig)
 &rst
  ixpk= 398, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 146, 147, 146, 147,
 &end
#
#    9 ASN  HN            0 AMB  20-1:399    6.00    (#    399:20  Single Ambig)
 &rst
  ixpk= 399, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 146, 147, 146, 147,
 &end
#
#    8 LYS  HN            0 AMB  20-1:400    6.00    (#    400:20  Single Ambig)
 &rst
  ixpk= 400, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 146, 147, 146, 147,
 &end
#
#   15 VAL  HA            0 AMB  20-1:401    6.00    (#    401:20  Single Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 146, 147, 146, 147,
 &end
#
#    8 LYS  HA            0 AMB  20-1:402    3.50    (#    402:20  Single Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:403      0 AMB  20-1:403    2.20    (#    403:20  Double Ambig)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 149, 150, 149, 150, 149, 150,
 igr2= 146, 147, 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:404      0 AMB  20-1:404    2.20    (#    404:20  Double Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 140, 141, 140, 141,
 igr2= 146, 147, 146, 147,
 &end
#
#    8 LYS  HB-           0 AMB  20-1:405    2.20    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 140, 141,
 igr2= 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:406      0 AMB  20-1:406    2.60    (#    406:20  Double Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 143, 144, 143, 144,
 igr2= 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:407      0 AMB  20-1:407    2.60    (#    407:20  Double Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 143, 144, 246, 247, 248, 250, 251, 252,
 igr2= 146, 147, 146, 147, 146, 147,
 &end
#
#   15 VAL  MGY           0 AMB  20-1:408    2.20    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 146, 147, 146, 147,
 &end
#
#    8 LYS  HN            0 AMB  20-1:409    6.00    (#    409:20  Single Ambig)
 &rst
  ixpk= 409, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 149, 150, 149, 150,
 &end
#
#    8 LYS  HA            0 AMB  20-1:410    6.00    (#    410:20  Single Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 149, 150, 149, 150,
 &end
#
#   13 GLY  HA-           0 AMB  20-1:411    3.50    (#    411:20  Single Ambig)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 220, 221,
 igr2= 149, 150, 149, 150,
 &end
#
#    0 AMB  20-2:412      0 AMB  20-1:412    6.00    (#    412:20  Double Ambig)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 244, 105, 106,
 igr2= 149, 150, 149, 150, 149, 150,
 &end
#
#    0 AMB  20-2:414      0 AMB  20-1:414    2.20    (#    414:20  Double Ambig)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 146, 147, 146, 147, 146, 147,
 igr2= 149, 150, 149, 150, 149, 150,
 &end
#
#    0 AMB  20-2:415      0 AMB  20-1:415    2.60    (#    415:20  Double Ambig)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 143, 144, 143, 144,
 igr2= 149, 150, 149, 150,
 &end
#
#    0 AMB  20-2:416      0 AMB  20-1:416    2.20    (#    416:20  Double Ambig)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 246, 247, 248, 250, 251, 252, 143, 144,
 igr2= 149, 150, 149, 150, 149, 150,
 &end
#
#    9 ASN  HN            9 ASN  HA          3.50    (#    417:20  Unique         2.91, 2.95 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:418      9 ASN  HA          6.00    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 186,
 &end
#
#   11 HIS  HD2           9 ASN  HA          6.00    (#    419:20  Unique )
 &rst
  ixpk= 419, nxpk= 20, iat= 200, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:420      9 ASN  HA          6.00    (#    420:20  Single Ambig)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 479, 667,
 &end
#
#    8 LYS  HA            9 ASN  HA          6.00    (#    422:20  Unique         4.36, 4.39 A)
 &rst
  ixpk= 422, nxpk= 20, iat= 138, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASN  HB+           9 ASN  HA          3.50    (#    423:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 162, 163,
 &end
#
#   10 PRO  HD+           9 ASN  HA          2.60    (#    424:20  Unique         1.99, 2.36 A)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 173, 174,
 &end
#
#    0 AMB  20-2:425      9 ASN  HA          6.00    (#    425:20  Single Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 179, 180, 140, 141,
 &end
#
#   10 PRO  HB-           9 ASN  HA          6.00    (#    426:20  Unique         4.87, 5.34 A)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 &end
#
#    0 AMB  20-2:427      9 ASN  HA          4.30    (#    427:20  Single Ambig)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 176, 177,
 &end
#
#    9 ASN  HB-           9 ASN  HA          3.50    (#    428:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 162, 163,
 &end
#
#   10 PRO  HD-           9 ASN  HA          3.50    (#    429:20  Unique         1.99, 2.36 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 173, 174,
 &end
#
#   10 PRO  HG-           9 ASN  HA          6.00    (#    430:20  Unique         4.12, 4.37 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 176, 177,
 &end
#
#    9 ASN  HN            9 ASN  HB+         3.50    (#    431:20  Unique         2.43, 2.57 A)
 &rst
  ixpk= 431, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 163,
 &end
#
#    9 ASN  HN            9 ASN  HB-         3.50    (#    432:20  Unique         2.43, 2.57 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:433      9 ASN  HB-         6.00    (#    433:20  Single Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 225, 673, 186,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:434      0 AMB  20-1:434    3.50    (#    434:20  Double Ambig)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 225, 673, 186,
 igr2= 162, 163, 162, 163, 162, 163,
 &end
#
#   29 TRP  HH2           9 ASN  HB+         6.00    (#    435:20  Unique         3.23, 3.59 A)
 &rst
  ixpk= 435, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:436      9 ASN  HB-         6.00    (#    436:20  Single Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 557, 667,
 igr2= 162, 163,
 &end
#
#   29 TRP  HZ2           9 ASN  HB+         6.00    (#    437:20  Unique         3.36, 3.59 A)
 &rst
  ixpk= 437, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:438      0 AMB  20-1:438    6.00    (#    438:20  Double Ambig)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 138, 466,
 igr2= 162, 163, 162, 163,
 &end
#
#    9 ASN  HA            9 ASN  HB+         6.00    (#    439:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 439, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#    9 ASN  HA            9 ASN  HB-         6.00    (#    440:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 440, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:441      0 AMB  20-1:441    6.00    (#    441:20  Double Ambig)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 210, 211, 212, 143, 144,
 igr2= 162, 163, 162, 163,
 &end
#
#   13 GLY  HN           10 PRO  HA          6.00    (#    442:20  Unique         3.93, 4.07 A)
 &rst
  ixpk= 442, nxpk= 20, iat= 218, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:443     10 PRO  HA          6.00    (#    443:20  Single Ambig)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 186, 225,
 &end
#
#   12 THR  HN           10 PRO  HA          6.00    (#    444:20  Unique         3.94, 4.05 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 204, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:445     10 PRO  HA          6.00    (#    445:20  Single Ambig)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 149, 150, 149, 150,
 &end
#
#   10 PRO  HD+          10 PRO  HA          3.50    (#    446:20  Unique         3.33, 3.73 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 173, 174,
 &end
#
#   10 PRO  HB+          10 PRO  HA          2.60    (#    447:20  Unique         2.26, 2.56 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 179, 180,
 &end
#
#   10 PRO  HB-          10 PRO  HA          2.60    (#    448:20  Unique         2.26, 2.56 A)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 179, 180,
 &end
#
#    0 AMB  20-2:449     10 PRO  HA          3.50    (#    449:20  Single Ambig)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177, 143, 144,
 &end
#
#   10 PRO  HD-          10 PRO  HA          6.00    (#    450:20  Unique         3.33, 3.73 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#   10 PRO  HG-          10 PRO  HA          6.00    (#    451:20  Unique         2.86, 3.83 A)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 176, 177,
 &end
#
#   11 HIS  HN           10 PRO  HB+         6.00    (#    452:20  Unique         2.96, 4.02 A)
 &rst
  ixpk= 452, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   11 HIS  HN           10 PRO  HB-         6.00    (#    453:20  Unique         2.96, 4.02 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   10 PRO  HA           10 PRO  HB+         2.60    (#    454:20  Unique         2.26, 2.56 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 179, 180,
 &end
#
#   10 PRO  HA           10 PRO  HB-         2.60    (#    455:20  Unique         2.26, 2.56 A)
 &rst
  ixpk= 455, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD+          10 PRO  HB-         3.50    (#    456:20  Unique         2.77, 3.66 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG+          10 PRO  HB-         3.50    (#    457:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG+          10 PRO  HB+         3.50    (#    458:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD-          10 PRO  HB-         6.00    (#    459:20  Unique         2.77, 3.66 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   10 PRO  HD-          10 PRO  HB+         6.00    (#    460:20  Unique         2.77, 3.66 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG-          10 PRO  HB+         3.50    (#    461:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   10 PRO  HG-          10 PRO  HB-         3.50    (#    462:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   41 TRP  HE1          10 PRO  HG-         6.00    (#    463:20  Unique         3.19, 3.93 A)
 &rst
  ixpk= 463, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   41 TRP  HE1          10 PRO  HG+         6.00    (#    464:20  Unique         3.19, 3.93 A)
 &rst
  ixpk= 464, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   11 HIS  HN           10 PRO  HG+         6.00    (#    465:20  Unique         2.89, 3.96 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   11 HIS  HN           10 PRO  HG-         6.00    (#    466:20  Unique         2.89, 3.96 A)
 &rst
  ixpk= 466, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   10 PRO  HA           10 PRO  HG-         6.00    (#    467:20  Unique         2.86, 3.83 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   10 PRO  HA           10 PRO  HG+         3.50    (#    468:20  Unique         2.86, 3.83 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 176, 177,
 &end
#
#    9 ASN  HA           10 PRO  HG-         6.00    (#    469:20  Unique         4.12, 4.37 A)
 &rst
  ixpk= 469, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#    9 ASN  HA           10 PRO  HG+         6.00    (#    470:20  Unique         4.12, 4.37 A)
 &rst
  ixpk= 470, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 176, 177,
 &end
#
#   10 PRO  HD+          10 PRO  HG-         3.50    (#    471:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   10 PRO  HD+          10 PRO  HG+         3.50    (#    472:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   10 PRO  HB+          10 PRO  HG-         3.50    (#    473:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#    0 AMB  20-2:474      0 AMB  20-1:474    2.20    (#    474:20  Double Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 140, 141, 179, 180,
 igr2= 143, 144, 176, 177,
 &end
#
#   10 PRO  HB-          10 PRO  HG+         2.60    (#    475:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#   10 PRO  HB-          10 PRO  HG-         3.50    (#    476:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#   10 PRO  HD-          10 PRO  HG-         2.60    (#    477:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   10 PRO  HD-          10 PRO  HG+         6.00    (#    478:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   41 TRP  HE1          10 PRO  HD+         6.00    (#    479:20  Unique         3.98, 4.58 A)
 &rst
  ixpk= 479, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:480      0 AMB  20-1:480    6.00    (#    480:20  Double Ambig)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 186, 673,
 igr2= 173, 174, 173, 174,
 &end
#
#    0 AMB  20-2:481     10 PRO  HD-         6.00    (#    481:20  Single Ambig)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 186, 673,
 igr2= 173, 174,
 &end
#
#   11 HIS  HD2          10 PRO  HD-         6.00    (#    482:20  Unique)
 &rst
  ixpk= 482, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#   11 HIS  HD2          10 PRO  HD+         6.00    (#    483:20  Unique)
 &rst
  ixpk= 483, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#   29 TRP  HH2          10 PRO  HD-         6.00    (#    484:20  Unique         6.33, 6.75 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:485      0 AMB  20-1:485    6.00    (#    485:20  Double Ambig)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 667, 479,
 igr2= 173, 174, 173, 174,
 &end
#
#   10 PRO  HA           10 PRO  HD+         6.00    (#    486:20  Unique         3.33, 3.73 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 173, 174,
 &end
#
#    9 ASN  HA           10 PRO  HD+         3.50    (#    487:20  Unique         1.99, 2.36 A)
 &rst
  ixpk= 487, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 173, 174,
 &end
#
#    9 ASN  HA           10 PRO  HD-         3.50    (#    488:20  Unique         1.99, 2.36 A)
 &rst
  ixpk= 488, nxpk= 20, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:489     10 PRO  HD-         6.00    (#    489:20  Single Ambig)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 179, 180, 140, 141,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:490      0 AMB  20-1:490    6.00    (#    490:20  Double Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 179, 180, 140, 141,
 igr2= 173, 174, 173, 174,
 &end
#
#   10 PRO  HB-          10 PRO  HD+         6.00    (#    491:20  Unique         2.77, 3.66 A)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#   10 PRO  HB-          10 PRO  HD-         6.00    (#    492:20  Unique         2.77, 3.66 A)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#   10 PRO  HG+          10 PRO  HD-         3.50    (#    493:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#   10 PRO  HG+          10 PRO  HD+         3.50    (#    494:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:495     10 PRO  HD-         6.00    (#    495:20  Single Ambig)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 143, 144, 162, 163,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:496      0 AMB  20-1:496    6.00    (#    496:20  Double Ambig)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 143, 144, 162, 163,
 igr2= 173, 174, 173, 174,
 &end
#
#   10 PRO  HG-          10 PRO  HD+         3.50    (#    497:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#   10 PRO  HG-          10 PRO  HD-         6.00    (#    498:20  Unique         2.27, 2.59 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#    0 AMB  20-2:499     11 HIS  HA          4.30    (#    499:20  Single Ambig)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 210, 211, 212,
 &end
#
#   11 HIS  HB-          11 HIS  HA          3.50    (#    500:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 190, 191,
 &end
#
#   11 HIS  HB+          11 HIS  HA          2.60    (#    501:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 190, 191,
 &end
#
#   12 THR  HN           11 HIS  HA          3.50    (#    503:20  Unique         3.43, 3.45 A)
 &rst
  ixpk= 503, nxpk= 20, iat= 204, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 HIS  HN           11 HIS  HA          3.50    (#    504:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 186, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 HIS  HN           11 HIS  HB+         3.50    (#    505:20  Unique         2.36, 3.02 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 190, 191,
 &end
#
#   11 HIS  HN           11 HIS  HB-         6.00    (#    506:20  Unique         2.36, 3.02 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 190, 191,
 &end
#
#   33 TRP  HZ2          11 HIS  HB+         6.00    (#    507:20  Unique         2.73, 2.99 A)
 &rst
  ixpk= 507, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 190, 191,
 &end
#
#   12 THR  HN           11 HIS  HB+         6.00    (#    508:20  Unique         3.15, 3.72 A)
 &rst
  ixpk= 508, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 190, 191,
 &end
#
#   12 THR  HN           11 HIS  HB-         6.00    (#    509:20  Unique         3.15, 3.72 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 190, 191,
 &end
#
#   11 HIS  HA           11 HIS  HB+         3.50    (#    512:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 190, 191,
 &end
#
#   11 HIS  HA           11 HIS  HB-         3.50    (#    513:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 190, 191,
 &end
#
#    0 AMB  20-2:514      0 AMB  20-1:514    3.50    (#    514:20  Double Ambig)
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 210, 211, 212,
 igr2= 190, 191,
 &end
#
#    0 AMB  20-2:515     11 HIS  HB-         3.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 210, 211, 212,
 igr2= 190, 191,
 &end
#
#   13 GLY  HN           12 THR  HA          6.00    (#    516:20  Unique         3.49, 3.50 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 218, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:517     12 THR  HA          6.00    (#    517:20  Single Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 225, 186,
 &end
#
#   12 THR  HN           12 THR  HA          3.50    (#    518:20  Unique         3.01, 3.02 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 204, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HB           12 THR  HA          2.60    (#    519:20  Unique         2.38, 2.40 A)
 &rst
  ixpk= 519, nxpk= 20, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:520     12 THR  HA          6.00    (#    520:20  Single Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 232, 233, 232, 233,
 &end
#
#   12 THR  MG2          12 THR  HA          2.60    (#    521:20  Unique         2.60, 3.26 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 210, 211, 212,
 &end
#
#   13 GLY  HN           12 THR  HB          6.00    (#    522:20  Unique         3.77, 3.82 A)
 &rst
  ixpk= 522, nxpk= 20, iat= 218, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HN           12 THR  HB          6.00    (#    523:20  Unique         3.21, 3.36 A)
 &rst
  ixpk= 523, nxpk= 20, iat= 225, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HN           12 THR  HB          6.00    (#    524:20  Unique         3.82, 3.84 A)
 &rst
  ixpk= 524, nxpk= 20, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HA           12 THR  HB          2.60    (#    525:20  Unique         2.38, 2.40 A)
 &rst
  ixpk= 525, nxpk= 20, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:526     12 THR  HB          3.50    (#    526:20  Single Ambig)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 232, 233, 232, 233,
 &end
#
#   14 GLU  HB-          12 THR  HB          6.00    (#    527:20  Unique         3.62, 4.65 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#   12 THR  MG2          12 THR  HB          2.20    (#    528:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 210, 211, 212,
 &end
#
#   14 GLU  HB+          12 THR  HB          6.00    (#    529:20  Unique         3.62, 4.65 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#   29 TRP  HE1          12 THR  MG2         6.00    (#    530:20  Unique         3.75, 5.17 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 210, 211, 212,
 &end
#
#   13 GLY  HN           12 THR  MG2         4.30    (#    531:20  Unique         3.93, 4.55 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 210, 211, 212,
 &end
#
#   29 TRP  HZ2          12 THR  MG2         6.00    (#    532:20  Unique         5.25, 6.37 A)
 &rst
  ixpk= 532, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 210, 211, 212,
 &end
#
#    0 AMB  20-2:533     12 THR  MG2         3.50    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 186, 225,
 igr2= 210, 211, 212,
 &end
#
#   33 TRP  HZ2          12 THR  MG2         6.00    (#    534:20  Unique         3.37, 3.84 A)
 &rst
  ixpk= 534, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 210, 211, 212,
 &end
#
#   33 TRP  HH2          12 THR  MG2         3.50    (#    535:20  Unique         2.33, 2.78 A)
 &rst
  ixpk= 535, nxpk= 20, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 210, 211, 212,
 &end
#
#   33 TRP  HZ3          12 THR  MG2         6.00    (#    536:20  Unique         3.83, 4.62 A)
 &rst
  ixpk= 536, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HN           12 THR  MG2         2.60    (#    537:20  Unique         2.67, 3.51 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HA           12 THR  MG2         2.60    (#    539:20  Unique         2.60, 3.26 A)
 &rst
  ixpk= 539, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HB           12 THR  MG2         2.20    (#    540:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 540, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 210, 211, 212,
 &end
#
#   11 HIS  HB+          12 THR  MG2         3.50    (#    541:20  Unique         2.49, 3.91 A)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 190, 191,
 igr2= 210, 211, 212,
 &end
#
#   11 HIS  HB-          12 THR  MG2         3.50    (#    542:20  Unique         2.49, 3.91 A)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 190, 191,
 igr2= 210, 211, 212,
 &end
#
#   14 GLU  HB+          12 THR  MG2         6.00    (#    543:20  Unique         4.21, 5.75 A)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 229, 230,
 igr2= 210, 211, 212,
 &end
#
#    0 AMB  20-2:544     12 THR  MG2         3.50    (#    544:20  Single Ambig)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 232, 233, 232, 233,
 igr2= 210, 211, 212,
 &end
#
#   14 GLU  HA           12 THR  MG2         6.00    (#    545:20  Unique         6.66, 7.24 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 210, 211, 212,
 &end
#
#   13 GLY  HN           13 GLY  HA+         2.60    (#    546:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 546, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 220, 221,
 &end
#
#   13 GLY  HN           13 GLY  HA-         2.60    (#    547:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 547, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 220, 221,
 &end
#
#   14 GLU  HN           13 GLY  HA-         3.50    (#    548:20  Unique         3.21, 3.34 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 220, 221,
 &end
#
#   14 GLU  HN           13 GLY  HA+         3.50    (#    549:20  Unique         3.21, 3.34 A)
 &rst
  ixpk= 549, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 220, 221,
 &end
#
#   12 THR  HN           13 GLY  HA+         6.00    (#    550:20  Unique         4.08, 4.39 A)
 &rst
  ixpk= 550, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 220, 221,
 &end
#
#   12 THR  HN           13 GLY  HA-         6.00    (#    551:20  Unique         4.08, 4.39 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:552      0 AMB  20-1:552    6.00    (#    552:20  Double Ambig)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 149, 150, 149, 150,
 igr2= 220, 221, 220, 221,
 &end
#
#    0 AMB  20-2:553     13 GLY  HA-         6.00    (#    553:20  Single Ambig)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 149, 150, 149, 150,
 igr2= 220, 221,
 &end
#
#    9 ASN  HB+          13 GLY  HA+         6.00    (#    554:20  Unique         4.56, 6.03 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 162, 163,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:555      0 AMB  20-1:555    6.00    (#    555:20  Double Ambig)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 146, 147, 146, 147,
 igr2= 220, 221, 220, 221,
 &end
#
#    0 AMB  20-2:556     13 GLY  HA-         6.00    (#    556:20  Single Ambig)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 146, 147, 146, 147,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:557     13 GLY  HA-         6.00    (#    557:20  Single Ambig)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 143, 144, 210, 211, 212,
 igr2= 220, 221,
 &end
#
#    0 AMB  20-2:558      0 AMB  20-1:558    6.00    (#    558:20  Double Ambig)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 143, 144, 210, 211, 212,
 igr2= 220, 221, 220, 221,
 &end
#
#    0 AMB  20-2:559      0 AMB  20-1:559    6.00    (#    559:20  Double Ambig)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
 igr1= 143, 144, 162, 163, 246, 247, 248, 250, 251, 252,
      
 igr2= 220, 221, 220, 221, 220, 221,
 &end
#
#    0 AMB  20-2:560     13 GLY  HA-         6.00    (#    560:20  Single Ambig)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 143, 144, 162, 163, 246, 247, 248, 250, 251, 252,
      
 igr2= 220, 221,
 &end
#
#    9 ASN  HN           14 GLU  HA          6.00    (#    562:20  Unique         4.91, 5.02 A)
 &rst
  ixpk= 562, nxpk= 20, iat= 158, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HN           14 GLU  HA          2.20    (#    564:20  Unique         2.22, 2.24 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 240, 227, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   13 GLY  HN           14 GLU  HA          6.00    (#    565:20  Unique         5.06, 5.09 A)
 &rst
  ixpk= 565, nxpk= 20, iat= 218, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HN           14 GLU  HA          3.50    (#    566:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 TRP  HZ2          14 GLU  HA          6.00    (#    567:20  Unique         4.20, 4.33 A)
 &rst
  ixpk= 567, nxpk= 20, iat= 477, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HH2          14 GLU  HA          6.00    (#    568:20  Unique         5.04, 5.12 A)
 &rst
  ixpk= 568, nxpk= 20, iat= 479, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HA           14 GLU  HA          6.00    (#    569:20  Unique         4.47, 4.49 A)
 &rst
  ixpk= 569, nxpk= 20, iat= 242, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:570     14 GLU  HA          2.60    (#    570:20  Single Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 232, 233, 232, 233,
 &end
#
#   14 GLU  HB+          14 GLU  HA          2.60    (#    571:20  Unique         2.50, 2.78 A)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 229, 230,
 &end
#
#   14 GLU  HB-          14 GLU  HA          3.50    (#    573:20  Unique         2.50, 2.78 A)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 229, 230,
 &end
#
#   15 VAL  HB           14 GLU  HA          6.00    (#    574:20  Unique         4.48, 4.53 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 244, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  MGY          14 GLU  HA          3.50    (#    575:20  Unique         3.34, 5.45 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   29 TRP  HE1          14 GLU  HB-         6.00    (#    576:20  Unique         3.10, 3.66 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 229, 230,
 &end
#
#   15 VAL  HN           14 GLU  HB-         3.50    (#    577:20  Unique         2.68, 3.37 A)
 &rst
  ixpk= 577, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   15 VAL  HN           14 GLU  HB+         3.50    (#    578:20  Unique         2.68, 3.37 A)
 &rst
  ixpk= 578, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   14 GLU  HN           14 GLU  HB-         3.50    (#    579:20  Unique         2.29, 2.96 A)
 &rst
  ixpk= 579, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   14 GLU  HN           14 GLU  HB+         3.50    (#    580:20  Unique         2.29, 2.96 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   29 TRP  HZ2          14 GLU  HB+         3.50    (#    581:20  Unique         2.12, 2.23 A)
 &rst
  ixpk= 581, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   29 TRP  HZ2          14 GLU  HB-         3.50    (#    582:20  Unique         2.12, 2.23 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   29 TRP  HH2          14 GLU  HB-         3.50    (#    583:20  Unique         3.86, 3.97 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   29 TRP  HH2          14 GLU  HB+         3.50    (#    584:20  Unique         3.86, 3.97 A)
 &rst
  ixpk= 584, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 229, 230,
 &end
#
#   14 GLU  HA           14 GLU  HB-         2.60    (#    586:20  Unique         2.50, 2.78 A)
 &rst
  ixpk= 586, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 229, 230,
 &end
#
#   14 GLU  HA           14 GLU  HB+         2.60    (#    587:20  Unique         2.50, 2.78 A)
 &rst
  ixpk= 587, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 229, 230,
 &end
#
#    0 AMB  20-2:588      0 AMB  20-1:588    2.20    (#    588:20  Double Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 232, 233, 232, 233,
 igr2= 229, 230, 229, 230,
 &end
#
#    0 AMB  20-2:589      0 AMB  20-1:589    6.00    (#    589:20  Double Ambig)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 210, 211, 212, 143, 144,
 igr2= 229, 230, 229, 230,
 &end
#
#    0 AMB  20-2:590      0 AMB  20-1:590    6.00    (#    590:20  Double Ambig)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 266, 267, 246, 247, 248, 250, 251, 252,
 igr2= 229, 230, 229, 230,
 &end
#
#   25 THR  MG2          14 GLU  HB+         6.00    (#    591:20  Unique         3.27, 4.50 A)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 229, 230,
 &end
#
#   25 THR  MG2          14 GLU  HB-         6.00    (#    592:20  Unique         3.27, 4.50 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 229, 230,
 &end
#
#   15 VAL  MGX          14 GLU  HB-         6.00    (#    593:20  Unique         4.97, 6.65 A)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 229, 230,
 &end
#
#   36 GLU  HN           36 GLU  HG+         3.50    (#    594:20  Unique         1.82, 2.30 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 594, 595,
 &end
#
#   37 ALA  HN           36 GLU  HG+         3.50    (#    595:20  Unique         3.70, 4.16 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 594, 595,
 &end
#
#   14 GLU  HN            0 AMB  20-1:596    2.60    (#    596:20  Single Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 232, 233, 232, 233,
 &end
#
#   29 TRP  HZ2           0 AMB  20-1:597    3.50    (#    597:20  Single Ambig)
 &rst
  ixpk= 597, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 232, 233, 232, 233,
 &end
#
#   29 TRP  HH2           0 AMB  20-1:598    6.00    (#    598:20  Single Ambig)
 &rst
  ixpk= 598, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 232, 233, 232, 233,
 &end
#
#   12 THR  HA            0 AMB  20-1:600    6.00    (#    600:20  Single Ambig)
 &rst
  ixpk= 600, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 232, 233, 232, 233,
 &end
#
#   14 GLU  HA            0 AMB  20-1:601    2.20    (#    601:20  Single Ambig)
 &rst
  ixpk= 601, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr2= 232, 233, 232, 233,
 &end
#
#   12 THR  HB            0 AMB  20-1:602    3.50    (#    602:20  Single Ambig)
 &rst
  ixpk= 602, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 232, 233, 232, 233,
 &end
#
#    0 AMB  20-2:603      0 AMB  20-1:603    2.20    (#    603:20  Double Ambig)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 229, 230, 591, 592, 577, 578,
 igr2= 232, 233, 232, 233, 594, 595, 594, 595,
 &end
#
#   12 THR  MG2           0 AMB  20-1:604    3.50    (#    604:20  Single Ambig)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 210, 211, 212,
 igr2= 232, 233, 232, 233,
 &end
#
#   25 THR  MG2           0 AMB  20-1:606    3.50    (#    606:20  Single Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 400, 401, 402,
 igr2= 232, 233, 232, 233,
 &end
#
#    7 TYR  HN           15 VAL  HA          6.00    (#    607:20  Unique         4.42, 4.50 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 115, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  HN           15 VAL  HA          2.60    (#    608:20  Unique         2.19, 2.21 A)
 &rst
  ixpk= 608, nxpk= 20, iat= 256, 242, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    9 ASN  HN           15 VAL  HA          3.50    (#    609:20  Unique         3.38, 3.50 A)
 &rst
  ixpk= 609, nxpk= 20, iat= 158, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 VAL  HN           15 VAL  HA          3.50    (#    611:20  Unique         2.95, 2.96 A)
 &rst
  ixpk= 611, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 TRP  HH2          15 VAL  HA          6.00    (#    612:20  Unique         2.22, 2.31 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 479, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 LYS  HA           15 VAL  HA          2.60    (#    613:20  Unique         2.27, 2.35 A)
 &rst
  ixpk= 613, nxpk= 20, iat= 138, 242, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:614     15 VAL  HA          6.00    (#    614:20  Single Ambig)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 229, 230, 105, 106,
 &end
#
#    0 AMB  20-2:615     15 VAL  HA          6.00    (#    615:20  Single Ambig)
 &rst
  ixpk= 615, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 232, 233, 232, 233,
 &end
#
#    0 AMB  20-2:616     15 VAL  HA          3.50    (#    616:20  Single Ambig)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 244, 105, 106,
 &end
#
#    8 LYS  HB+          15 VAL  HA          6.00    (#    617:20  Unique         3.71, 4.45 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 140, 141,
 &end
#
#    0 AMB  20-2:618     15 VAL  HA          4.30    (#    618:20  Single Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 146, 147, 146, 147, 260,
 &end
#
#   16 ILE  HG1-         15 VAL  HA          6.00    (#    619:20  Unique         3.18, 3.60 A)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 266, 267,
 &end
#
#    8 LYS  HG+          15 VAL  HA          6.00    (#    620:20  Unique         3.61, 4.56 A)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 143, 144,
 &end
#
#    0 AMB  20-2:621     15 VAL  HA          2.60    (#    621:20  Single Ambig)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267,
 &end
#
#    0 AMB  20-2:622     15 VAL  HA          2.20    (#    622:20  Single Ambig)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 246, 247, 248, 250, 251, 252, 143, 144,
 &end
#
#    0 AMB  20-2:623     15 VAL  HA          6.00    (#    623:20  Single Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 262, 263, 264, 400, 401, 402,
 &end
#
#   16 ILE  HN           15 VAL  HB          3.50    (#    624:20  Unique         3.61, 3.64 A)
 &rst
  ixpk= 624, nxpk= 20, iat= 256, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 VAL  HN           15 VAL  HB          2.60    (#    625:20  Unique         2.67, 2.68 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   15 VAL  HA           15 VAL  HB          3.50    (#    626:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LYS  HA           15 VAL  HB          6.00    (#    627:20  Unique         4.79, 4.87 A)
 &rst
  ixpk= 627, nxpk= 20, iat= 138, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HA           15 VAL  HB          6.00    (#    628:20  Unique         4.48, 4.53 A)
 &rst
  ixpk= 628, nxpk= 20, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:629     15 VAL  HB          6.00    (#    629:20  Single Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 105, 106, 229, 230, 282, 283,
 &end
#
#    0 AMB  20-2:630     15 VAL  HB          6.00    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 146, 147, 146, 147, 260,
 &end
#
#    8 LYS  HB-          15 VAL  HB          6.00    (#    631:20  Unique         5.02, 6.02 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 140, 141,
 &end
#
#    8 LYS  HB+          15 VAL  HB          6.00    (#    632:20  Unique         5.02, 6.02 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 140, 141,
 &end
#
#    8 LYS  HG+          15 VAL  HB          6.00    (#    633:20  Unique         4.31, 5.91 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 143, 144,
 &end
#
#   16 ILE  HG1-         15 VAL  HB          6.00    (#    634:20  Unique         5.55, 5.66 A)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 266, 267,
 &end
#
#   15 VAL  MGX          15 VAL  HB          2.20    (#    635:20  Unique         2.34, 2.66 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  MGY          15 VAL  HB          2.20    (#    636:20  Unique         2.34, 2.66 A)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    7 TYR  HN           15 VAL  MGX         3.50    (#    637:20  Unique         3.54, 5.47 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    7 TYR  HN           15 VAL  MGY         6.00    (#    638:20  Unique         3.54, 5.47 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   16 ILE  HN           15 VAL  MGX         2.60    (#    639:20  Unique         2.27, 3.82 A)
 &rst
  ixpk= 639, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   16 ILE  HN           15 VAL  MGY         6.00    (#    640:20  Unique         2.27, 3.82 A)
 &rst
  ixpk= 640, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    9 ASN  HN           15 VAL  MGY         3.50    (#    643:20  Unique         3.74, 5.35 A)
 &rst
  ixpk= 643, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    9 ASN  HN           15 VAL  MGX         6.00    (#    644:20  Unique         3.74, 5.35 A)
 &rst
  ixpk= 644, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   17 GLU  HN           15 VAL  MGX         6.00    (#    646:20  Unique         5.17, 7.42 A)
 &rst
  ixpk= 646, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HN           15 VAL  MGX         6.00    (#    647:20  Unique         2.75, 4.17 A)
 &rst
  ixpk= 647, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HN           15 VAL  MGY         3.50    (#    648:20  Unique         2.75, 4.17 A)
 &rst
  ixpk= 648, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    6 GLN  HE2+         15 VAL  MGX         3.50    (#    649:20  Unique         2.57, 4.60 A)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 110, 111,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    6 GLN  HE2+         15 VAL  MGY         6.00    (#    650:20  Unique         2.57, 4.60 A)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 110, 111,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    8 LYS  HN           15 VAL  MGY         6.00    (#    651:20  Unique         4.52, 6.07 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    8 LYS  HN           15 VAL  MGX         6.00    (#    652:20  Unique         4.52, 6.07 A)
 &rst
  ixpk= 652, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   14 GLU  HN           15 VAL  MGX         6.00    (#    653:20  Unique         4.95, 6.82 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   14 GLU  HN           15 VAL  MGY         6.00    (#    654:20  Unique         4.95, 6.82 A)
 &rst
  ixpk= 654, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   29 TRP  HH2          15 VAL  MGX         6.00    (#    655:20  Unique         4.22, 5.16 A)
 &rst
  ixpk= 655, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   29 TRP  HH2          15 VAL  MGY         6.00    (#    657:20  Unique         4.22, 5.16 A)
 &rst
  ixpk= 657, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    6 GLN  HE2-         15 VAL  MGY         6.00    (#    658:20  Unique         2.57, 4.60 A)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 110, 111,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    6 GLN  HE2-         15 VAL  MGX         3.50    (#    659:20  Unique         2.57, 4.60 A)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 110, 111,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HA           15 VAL  MGX         2.20    (#    660:20  Unique         2.48, 3.17 A)
 &rst
  ixpk= 660, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   15 VAL  HA           15 VAL  MGY         2.60    (#    661:20  Unique         2.48, 3.17 A)
 &rst
  ixpk= 661, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    8 LYS  HA           15 VAL  MGX         3.50    (#    662:20  Unique         2.63, 3.98 A)
 &rst
  ixpk= 662, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    8 LYS  HA           15 VAL  MGY         2.60    (#    663:20  Unique         2.63, 3.98 A)
 &rst
  ixpk= 663, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   14 GLU  HA           15 VAL  MGY         3.50    (#    664:20  Unique         3.34, 5.45 A)
 &rst
  ixpk= 664, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   43 THR  HB           15 VAL  MGX         6.00    (#    665:20  Unique         6.09, 7.74 A)
 &rst
  ixpk= 665, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:666     15 VAL  MGY         2.60    (#    666:20  Single Ambig)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 149, 150, 149, 150,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:667     15 VAL  MGX         3.50    (#    667:20  Single Ambig)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 149, 150, 149, 150,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:668     15 VAL  MGY         3.50    (#    668:20  Single Ambig)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 105, 106, 282, 283,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    9 ASN  HB+          15 VAL  MGX         6.00    (#    669:20  Unique         5.70, 7.50 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 162, 163,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:670     15 VAL  MGX         2.20    (#    670:20  Single Ambig)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 105, 106, 282, 283,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    9 ASN  HB+          15 VAL  MGY         6.00    (#    671:20  Unique         5.70, 7.50 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 162, 163,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:674     15 VAL  MGY         2.20    (#    674:20  Single Ambig)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 146, 147, 146, 147,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:675     15 VAL  MGX         2.60    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 146, 147, 146, 147,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    8 LYS  HB+          15 VAL  MGY         2.60    (#    676:20  Unique         2.45, 4.53 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 140, 141,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    8 LYS  HB+          15 VAL  MGX         2.60    (#    677:20  Unique         2.45, 4.53 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 140, 141,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:678     15 VAL  MGY         3.50    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 244, 105, 106,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  20-2:679     15 VAL  MGX         2.20    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 244, 105, 106,
 igr2= 246, 247, 248, 250, 251, 252,
 &end
#
#   17 GLU  HN           16 ILE  HA          3.50    (#    680:20  Unique         2.37, 2.38 A)
 &rst
  ixpk= 680, nxpk= 20, iat= 275, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 ILE  MG2          16 ILE  HA          6.00    (#    681:20  Unique         2.33, 2.90 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#    7 TYR  HN           16 ILE  HB          6.00    (#    682:20  Unique         3.18, 3.34 A)
 &rst
  ixpk= 682, nxpk= 20, iat= 115, 260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  HN           16 ILE  HB          3.50    (#    683:20  Unique         3.25, 3.30 A)
 &rst
  ixpk= 683, nxpk= 20, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HN            0 AMB  20-1:684    6.00    (#    684:20  Single Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 725, 726, 260,
 &end
#
#   17 GLU  HN           16 ILE  HB          2.60    (#    685:20  Unique         2.66, 2.67 A)
 &rst
  ixpk= 685, nxpk= 20, iat= 275, 260, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   29 TRP  HH2          16 ILE  HB          6.00    (#    687:20  Unique         4.82, 4.94 A)
 &rst
  ixpk= 687, nxpk= 20, iat= 479, 260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:688      0 AMB  20-1:688    6.00    (#    688:20  Double Ambig)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 277, 242,
 igr2= 260, 725, 726,
 &end
#
#   44 LEU  HA           45 LEU  HB-         6.00    (#    689:20  Unique         4.59, 5.23 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 725, 726,
 &end
#
#   45 LEU  HA           45 LEU  HB-         2.60    (#    690:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 690, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:691      0 AMB  20-1:691    6.00    (#    691:20  Double Ambig)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 282, 283, 282, 283, 105, 106, 105, 106,
 igr2= 725, 726, 260,
 &end
#
#   16 ILE  HG1-         16 ILE  HB          2.60    (#    692:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 266, 267,
 &end
#
#    0 AMB  20-2:693      0 AMB  20-1:693    2.20    (#    693:20  Double Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 266, 267,  66,  67,  68,  70,  71,  72,
 igr2= 260, 725, 726,
 &end
#
#   45 LEU  MDY          45 LEU  HB-         2.20    (#    694:20  Unique         2.23, 3.36 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 725, 726,
 &end
#
#   16 ILE  MG2          16 ILE  HB          2.60    (#    695:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 262, 263, 264,
 &end
#
#   16 ILE  MD1          16 ILE  HB          2.60    (#    696:20  Unique         2.38, 3.05 A)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 269, 270, 271,
 &end
#
#    7 TYR  HN           16 ILE  HG1+        6.00    (#    697:20  Unique         3.55, 4.40 A)
 &rst
  ixpk= 697, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#    7 TYR  HN           16 ILE  HG1-        6.00    (#    698:20  Unique         3.55, 4.40 A)
 &rst
  ixpk= 698, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#   16 ILE  HN           16 ILE  HG1-        3.50    (#    699:20  Unique         2.52, 2.99 A)
 &rst
  ixpk= 699, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#   16 ILE  HN           16 ILE  HG1+        3.50    (#    700:20  Unique         2.52, 2.99 A)
 &rst
  ixpk= 700, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:701      0 AMB  20-1:701    6.00    (#    701:20  Double Ambig)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 275, 394,
 igr2= 266, 267, 266, 267,
 &end
#
#    0 AMB  20-2:702      0 AMB  20-1:702    6.00    (#    702:20  Double Ambig)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 275, 394,
 igr2= 266, 267, 415,
 &end
#
#   29 TRP  HZ2          16 ILE  HG1+        6.00    (#    705:20  Unique         2.98, 3.43 A)
 &rst
  ixpk= 705, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#   29 TRP  HZ2          16 ILE  HG1-        6.00    (#    706:20  Unique         2.98, 3.43 A)
 &rst
  ixpk= 706, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:707      0 AMB  20-1:707    3.50    (#    707:20  Double Ambig)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 479, 123, 132,
 igr2= 266, 267, 415,
 &end
#
#   29 TRP  HH2          16 ILE  HG1+        3.50    (#    708:20  Unique         2.45, 2.90 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#   15 VAL  HA           16 ILE  HG1-        6.00    (#    709:20  Unique         3.18, 3.60 A)
 &rst
  ixpk= 709, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#   15 VAL  HA           16 ILE  HG1+        6.00    (#    710:20  Unique         3.18, 3.60 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 266, 267,
 &end
#
#   16 ILE  HA           16 ILE  HG1+        3.50    (#    712:20  Unique         3.26, 3.49 A)
 &rst
  ixpk= 712, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#    7 TYR  HB+          16 ILE  HG1-        6.00    (#    713:20  Unique         2.31, 3.63 A)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 266, 267,
 &end
#
#    7 TYR  HB+          16 ILE  HG1+        6.00    (#    714:20  Unique         2.31, 3.63 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 266, 267,
 &end
#
#    7 TYR  HB-          16 ILE  HG1+        6.00    (#    715:20  Unique         2.31, 3.63 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 119, 120,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:716      0 AMB  20-1:716    3.50    (#    716:20  Double Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 119, 120, 501, 502,
 igr2= 266, 267, 415,
 &end
#
#   26 LEU  HA            0 AMB  20-1:717    3.50    (#    717:20  Single Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 415, 266, 267,
 &end
#
#    0 AMB  20-2:718      0 AMB  20-1:718    6.00    (#    718:20  Double Ambig)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 105, 106, 244, 279, 280,
 igr2= 266, 267, 266, 267, 266, 267,
 &end
#
#    0 AMB  20-2:719      0 AMB  20-1:719    6.00    (#    719:20  Double Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 495, 496, 105, 106, 244,
 igr2= 415, 266, 267,
 &end
#
#   16 ILE  HB           16 ILE  HG1+        3.50    (#    720:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 720, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#   16 ILE  HB           16 ILE  HG1-        2.60    (#    721:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 721, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:722      0 AMB  20-1:722    2.60    (#    722:20  Double Ambig)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 262, 263, 264, 400, 401, 402,
 igr2= 266, 267, 266, 267,
 &end
#
#    0 AMB  20-2:723      0 AMB  20-1:723    2.60    (#    723:20  Double Ambig)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 262, 263, 264, 400, 401, 402, 618, 619, 620, 622,
       623, 624,
 igr2= 266, 267, 415,
 &end
#
#   26 LEU  MDX          16 ILE  HG1+        6.00    (#    724:20  Unique         4.19, 6.53 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 266, 267,
 &end
#
#   26 LEU  MDX          26 LEU  HG          2.60    (#    725:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDY          16 ILE  HG1+        6.00    (#    726:20  Unique         4.19, 6.53 A)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 266, 267,
 &end
#
#   26 LEU  MDY          26 LEU  HG          2.60    (#    727:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1           0 AMB  20-1:728    2.60    (#    728:20  Single Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 269, 270, 271,
 igr2= 266, 267, 415,
 &end
#
#   16 ILE  MD1          16 ILE  HG1+        2.60    (#    729:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 269, 270, 271,
 igr2= 266, 267,
 &end
#
#   29 TRP  HE1          16 ILE  MG2         6.00    (#    730:20  Unique         6.66, 7.51 A)
 &rst
  ixpk= 730, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#    7 TYR  HN           16 ILE  MG2         6.00    (#    731:20  Unique         5.39, 5.75 A)
 &rst
  ixpk= 731, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   18 THR  HN           16 ILE  MG2         6.00    (#    732:20  Unique         5.47, 6.12 A)
 &rst
  ixpk= 732, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  HN           16 ILE  MG2         6.00    (#    733:20  Unique         4.68, 4.88 A)
 &rst
  ixpk= 733, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   15 VAL  HN           16 ILE  MG2         6.00    (#    735:20  Unique         5.92, 6.87 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   17 GLU  HN           16 ILE  MG2         2.60    (#    736:20  Unique         1.85, 2.90 A)
 &rst
  ixpk= 736, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 262, 263, 264,
 &end
#
#   26 LEU  HN           16 ILE  MG2         6.00    (#    737:20  Unique         3.35, 4.43 A)
 &rst
  ixpk= 737, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   23 HIS  HD2          16 ILE  MG2         4.30    (#    738:20  Unique)
 &rst
  ixpk= 738, nxpk= 20, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 262, 263, 264,
 &end
#
#   29 TRP  HZ2          16 ILE  MG2         6.00    (#    739:20  Unique         5.20, 6.16 A)
 &rst
  ixpk= 739, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   29 TRP  HH2          16 ILE  MG2         6.00    (#    741:20  Unique         5.56, 6.17 A)
 &rst
  ixpk= 741, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#    7 TYR  HD           16 ILE  MG2         6.00    (#    742:20  Unique         4.68, 6.83 A)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 123, 132,
 igr2= 262, 263, 264,
 &end
#
#    0 AMB  20-2:744     16 ILE  MG2         6.00    (#    744:20  Single Ambig)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 277, 242,
 igr2= 262, 263, 264,
 &end
#
#   18 THR  HB           16 ILE  MG2         6.00    (#    746:20  Unique         4.79, 5.89 A)
 &rst
  ixpk= 746, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   25 THR  HA           16 ILE  MG2         6.00    (#    747:20  Unique         5.59, 6.45 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#   25 THR  HB           16 ILE  MG2         3.50    (#    748:20  Unique         2.58, 3.52 A)
 &rst
  ixpk= 748, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 262, 263, 264,
 &end
#
#   26 LEU  HA           16 ILE  MG2         6.00    (#    749:20  Unique         4.61, 5.77 A)
 &rst
  ixpk= 749, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 262, 263, 264,
 &end
#
#    7 TYR  HB+          16 ILE  MG2         6.00    (#    750:20  Unique         4.36, 5.68 A)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119, 120,
 igr2= 262, 263, 264,
 &end
#
#    7 TYR  HB-          16 ILE  MG2         6.00    (#    751:20  Unique         4.36, 5.68 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119, 120,
 igr2= 262, 263, 264,
 &end
#
#    0 AMB  20-2:753     16 ILE  MG2         6.00    (#    753:20  Single Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 282, 283, 229, 230,
 igr2= 262, 263, 264,
 &end
#
#    0 AMB  20-2:754     16 ILE  MG2         6.00    (#    754:20  Single Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 282, 283, 229, 230,
 igr2= 262, 263, 264,
 &end
#
#    0 AMB  20-2:755     16 ILE  MG2         6.00    (#    755:20  Single Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 279, 280, 244,
 igr2= 262, 263, 264,
 &end
#
#    0 AMB  20-2:756     16 ILE  MG2         6.00    (#    756:20  Single Ambig)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 279, 280,
 igr2= 262, 263, 264,
 &end
#
#   26 LEU  HB+          16 ILE  MG2         6.00    (#    757:20  Unique         2.76, 4.91 A)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 412, 413,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  HB           16 ILE  MG2         2.20    (#    758:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  HG1-         16 ILE  MG2         2.60    (#    759:20  Unique         2.46, 3.56 A)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 266, 267,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  HG1+         16 ILE  MG2         2.60    (#    760:20  Unique         2.46, 3.56 A)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 266, 267,
 igr2= 262, 263, 264,
 &end
#
#   18 THR  MG2          16 ILE  MG2         2.60    (#    761:20  Unique         2.88, 4.41 A)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 296, 297, 298,
 igr2= 262, 263, 264,
 &end
#
#   26 LEU  MDY          16 ILE  MG2         6.00    (#    762:20  Unique         4.37, 6.84 A)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 262, 263, 264,
 &end
#
#   16 ILE  MD1          16 ILE  MG2         2.20    (#    763:20  Unique         2.28, 3.62 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr1= 269, 270, 271,
 igr2= 262, 263, 264,
 &end
#
#   29 TRP  HE1          16 ILE  MD1         6.00    (#    764:20  Unique         4.31, 5.48 A)
 &rst
  ixpk= 764, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#    7 TYR  HN           16 ILE  MD1         6.00    (#    765:20  Unique         4.53, 5.44 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#   29 TRP  HN           16 ILE  MD1         6.00    (#    766:20  Unique         4.90, 5.62 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:767     16 ILE  MD1         6.00    (#    767:20  Single Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 256, 488,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:768     16 ILE  MD1         4.30    (#    768:20  Single Ambig)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 275, 394,
 igr2= 269, 270, 271,
 &end
#
#   27 LYS  HN           16 ILE  MD1         6.00    (#    769:20  Unique         4.87, 5.57 A)
 &rst
  ixpk= 769, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  HN           16 ILE  MD1         3.50    (#    771:20  Unique         2.59, 3.47 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:772     16 ILE  MD1         6.00    (#    772:20  Single Ambig)
 &rst
  ixpk= 772, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#   23 HIS  HD2          16 ILE  MD1         4.30    (#    773:20  Unique)
 &rst
  ixpk= 773, nxpk= 20, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 269, 270, 271,
 &end
#
#   29 TRP  HZ2          16 ILE  MD1         6.00    (#    774:20  Unique         3.30, 4.53 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#    7 TYR  HD           16 ILE  MD1         3.50    (#    776:20  Unique         3.77, 5.24 A)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 132,
 igr2= 269, 270, 271,
 &end
#
#   29 TRP  HH2          16 ILE  MD1         3.50    (#    777:20  Unique         3.50, 4.39 A)
 &rst
  ixpk= 777, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#    7 TYR  HE           16 ILE  MD1         6.00    (#    778:20  Unique         5.45, 6.89 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 125, 130,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:779     16 ILE  MD1         6.00    (#    779:20  Single Ambig)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 242, 277,
 igr2= 269, 270, 271,
 &end
#
#   18 THR  HB           16 ILE  MD1         6.00    (#    781:20  Unique         6.01, 7.03 A)
 &rst
  ixpk= 781, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:782     16 ILE  MD1         6.00    (#    782:20  Single Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 269, 270, 271,
 &end
#
#   25 THR  HB           16 ILE  MD1         3.50    (#    783:20  Unique         2.33, 3.49 A)
 &rst
  ixpk= 783, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  HA           16 ILE  MD1         3.50    (#    784:20  Unique         2.66, 2.96 A)
 &rst
  ixpk= 784, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#    7 TYR  HB+          16 ILE  MD1         6.00    (#    785:20  Unique         2.36, 3.62 A)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119, 120,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:786     16 ILE  MD1         6.00    (#    786:20  Single Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 358, 359, 358, 359,
 igr2= 269, 270, 271,
 &end
#
#    7 TYR  HB-          16 ILE  MD1         6.00    (#    787:20  Unique         2.36, 3.62 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119, 120,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:788     16 ILE  MD1         6.00    (#    788:20  Single Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 614, 244,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  HB+          16 ILE  MD1         3.50    (#    789:20  Unique         2.24, 3.51 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 412, 413,
 igr2= 269, 270, 271,
 &end
#
#   16 ILE  HB           16 ILE  MD1         2.60    (#    790:20  Unique         2.38, 3.05 A)
 &rst
  ixpk= 790, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  HB-          16 ILE  MD1         2.60    (#    791:20  Unique         2.24, 3.51 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 412, 413,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:792     16 ILE  MD1         2.20    (#    792:20  Single Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr1= 266, 267, 415,
 igr2= 269, 270, 271,
 &end
#
#   16 ILE  HG1+         16 ILE  MD1         2.60    (#    793:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 266, 267,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  20-2:794     16 ILE  MD1         2.20    (#    794:20  Single Ambig)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 262, 263, 264, 400, 401, 402,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  MDX          16 ILE  MD1         6.00    (#    795:20  Unique         2.28, 4.69 A)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 269, 270, 271,
 &end
#
#   26 LEU  MDY          16 ILE  MD1         2.60    (#    796:20  Unique         2.28, 4.69 A)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 269, 270, 271,
 &end
#
#    7 TYR  HN           17 GLU  HA          3.50    (#    797:20  Unique         3.33, 3.47 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 115, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 THR  HN           17 GLU  HA          2.60    (#    798:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 798, nxpk= 20, iat= 290, 277, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   17 GLU  HN           17 GLU  HA          3.50    (#    799:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 799, nxpk= 20, iat= 275, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:800     17 GLU  HA          6.00    (#    800:20  Single Ambig)
 &rst
  ixpk= 800, nxpk= 20, iat=  76, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HD           17 GLU  HA          6.00    (#    801:20  Unique         3.35, 5.53 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#    6 GLN  HA           17 GLU  HA          2.60    (#    802:20  Unique         2.06, 2.11 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 100, 277, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   18 THR  HA           17 GLU  HA          6.00    (#    803:20  Unique         4.46, 4.48 A)
 &rst
  ixpk= 803, nxpk= 20, iat= 292, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 GLU  HG+          17 GLU  HA          2.60    (#    804:20  Unique         2.40, 2.62 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 282, 283,
 &end
#
#    0 AMB  20-2:805     17 GLU  HA          2.60    (#    805:20  Single Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 282, 283, 102, 103,
 &end
#
#   17 GLU  HB+          17 GLU  HA          2.60    (#    806:20  Unique         2.62, 2.82 A)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 279, 280,
 &end
#
#   17 GLU  HB-          17 GLU  HA          2.60    (#    807:20  Unique         2.62, 2.82 A)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 279, 280,
 &end
#
#   16 ILE  HG1-         17 GLU  HA          6.00    (#    808:20  Unique         5.67, 6.20 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 266, 267,
 &end
#
#   18 THR  MG2          17 GLU  HA          3.50    (#    809:20  Unique         3.56, 4.42 A)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 296, 297, 298,
 &end
#
#    4 VAL  MGY          17 GLU  HA          3.50    (#    810:20  Unique         3.18, 5.20 A)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  MGX          17 GLU  HA          3.50    (#    811:20  Unique         3.18, 5.20 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#   16 ILE  MG2          17 GLU  HA          6.00    (#    812:20  Unique         4.61, 5.42 A)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#   18 THR  HN           17 GLU  HB+         3.50    (#    813:20  Unique         3.29, 3.91 A)
 &rst
  ixpk= 813, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 279, 280,
 &end
#
#   18 THR  HN           17 GLU  HB-         3.50    (#    814:20  Unique         3.29, 3.91 A)
 &rst
  ixpk= 814, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 279, 280,
 &end
#
#   17 GLU  HN           17 GLU  HB+         2.60    (#    815:20  Unique         2.68, 3.22 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 279, 280,
 &end
#
#    0 AMB  20-2:816      0 AMB  20-1:816    2.60    (#    816:20  Double Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 279, 280,
 &end
#
#    6 GLN  HA           17 GLU  HB+         6.00    (#    817:20  Unique         4.24, 4.48 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 279, 280,
 &end
#
#    6 GLN  HA           17 GLU  HB-         6.00    (#    818:20  Unique         4.24, 4.48 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 279, 280,
 &end
#
#   17 GLU  HA           17 GLU  HB+         2.60    (#    819:20  Unique         2.62, 2.82 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 279, 280,
 &end
#
#   17 GLU  HA           17 GLU  HB-         2.60    (#    820:20  Unique         2.62, 2.82 A)
 &rst
  ixpk= 820, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 279, 280,
 &end
#
#   17 GLU  HG-          17 GLU  HB-         2.20    (#    821:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 282, 283,
 igr2= 279, 280,
 &end
#
#    0 AMB  20-2:822      0 AMB  20-1:822    2.20    (#    822:20  Double Ambig)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 282, 283, 577, 578,
 igr2= 279, 280, 492, 493,
 &end
#
#   17 GLU  HG+          17 GLU  HB-         2.20    (#    823:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 282, 283,
 igr2= 279, 280,
 &end
#
#   17 GLU  HG+          17 GLU  HB+         2.20    (#    824:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 282, 283,
 igr2= 279, 280,
 &end
#
#    4 VAL  MGX          17 GLU  HB-         2.20    (#    825:20  Unique         2.33, 4.81 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 279, 280,
 &end
#
#    4 VAL  MGX          17 GLU  HB+         2.60    (#    826:20  Unique         2.33, 4.81 A)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 279, 280,
 &end
#
#    7 TYR  HN           17 GLU  HG+         6.00    (#    827:20  Unique         4.08, 4.42 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#    7 TYR  HN           17 GLU  HG-         6.00    (#    828:20  Unique         4.08, 4.42 A)
 &rst
  ixpk= 828, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#    6 GLN  HN           17 GLU  HG+         6.00    (#    829:20  Unique         4.29, 4.96 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#   18 THR  HN           17 GLU  HG+         6.00    (#    830:20  Unique         3.96, 4.44 A)
 &rst
  ixpk= 830, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#   18 THR  HN           17 GLU  HG-         6.00    (#    832:20  Unique         3.96, 4.44 A)
 &rst
  ixpk= 832, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#   17 GLU  HN           17 GLU  HG+         3.50    (#    833:20  Unique         3.67, 4.12 A)
 &rst
  ixpk= 833, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#   17 GLU  HN           17 GLU  HG-         3.50    (#    834:20  Unique         3.67, 4.12 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#    6 GLN  HE2+         17 GLU  HG-         6.00    (#    835:20  Unique         2.94, 4.55 A)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 282, 283,
 &end
#
#    6 GLN  HE2+         17 GLU  HG+         3.50    (#    836:20  Unique         2.94, 4.55 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111,
 igr2= 282, 283,
 &end
#
#    6 GLN  HE2-         17 GLU  HG+         6.00    (#    837:20  Unique         2.94, 4.55 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 282, 283,
 &end
#
#    6 GLN  HE2-         17 GLU  HG-         6.00    (#    838:20  Unique         2.94, 4.55 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 110, 111,
 igr2= 282, 283,
 &end
#
#    6 GLN  HA           17 GLU  HG+         3.50    (#    839:20  Unique         2.70, 2.93 A)
 &rst
  ixpk= 839, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#   17 GLU  HA           17 GLU  HG+         3.50    (#    840:20  Unique         2.40, 2.62 A)
 &rst
  ixpk= 840, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#    6 GLN  HA           17 GLU  HG-         3.50    (#    841:20  Unique         2.70, 2.93 A)
 &rst
  ixpk= 841, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#   17 GLU  HA           17 GLU  HG-         2.60    (#    842:20  Unique         2.40, 2.62 A)
 &rst
  ixpk= 842, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 282, 283,
 &end
#
#   17 GLU  HB+          17 GLU  HG+         2.20    (#    843:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 279, 280,
 igr2= 282, 283,
 &end
#
#   17 GLU  HB-          17 GLU  HG-         2.20    (#    844:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 279, 280,
 igr2= 282, 283,
 &end
#
#   17 GLU  HB+          17 GLU  HG-         2.20    (#    845:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 279, 280,
 igr2= 282, 283,
 &end
#
#   17 GLU  HB-          17 GLU  HG+         2.60    (#    846:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 279, 280,
 igr2= 282, 283,
 &end
#
#    0 AMB  20-2:847      0 AMB  20-1:847    3.50    (#    847:20  Double Ambig)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 728, 260,
 igr2= 282, 283, 282, 283,
 &end
#
#    0 AMB  20-2:848     17 GLU  HG-         6.00    (#    848:20  Single Ambig)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 728, 725, 726, 260,
 igr2= 282, 283,
 &end
#
#   15 VAL  MGX          17 GLU  HG-         3.50    (#    849:20  Unique         3.64, 6.79 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 282, 283,
 &end
#
#   45 LEU  MDY          17 GLU  HG-         2.60    (#    850:20  Unique         2.24, 4.62 A)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 282, 283,
 &end
#
#   45 LEU  MDY          17 GLU  HG+         2.60    (#    851:20  Unique         2.24, 4.62 A)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 282, 283,
 &end
#
#   15 VAL  MGX          17 GLU  HG+         3.50    (#    852:20  Unique         3.64, 6.79 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 282, 283,
 &end
#
#   19 LYS  HN           18 THR  HB          3.50    (#    853:20  Unique         2.59, 2.86 A)
 &rst
  ixpk= 853, nxpk= 20, iat= 304, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 THR  HN           18 THR  HB          6.00    (#    854:20  Unique         3.94, 3.98 A)
 &rst
  ixpk= 854, nxpk= 20, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 GLU  HN           18 THR  HB          6.00    (#    855:20  Unique         5.13, 5.43 A)
 &rst
  ixpk= 855, nxpk= 20, iat= 275, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 GLY  HN           18 THR  HB          5.50    (#    856:20  Unique         3.71, 4.12 A)
 &rst
  ixpk= 856, nxpk= 20, iat= 326, 294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 TYR  HE           18 THR  HB          6.00    (#    858:20  Unique         4.34, 6.48 A)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#   18 THR  HA           18 THR  HB          2.60    (#    859:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:860     18 THR  HB          6.00    (#    860:20  Single Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359, 358, 359,
 &end
#
#   18 THR  MG2          18 THR  HB          2.60    (#    861:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 296, 297, 298,
 &end
#
#   16 ILE  MG2          18 THR  HB          6.00    (#    862:20  Unique         4.79, 5.89 A)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#   16 ILE  MD1          18 THR  HB          6.00    (#    863:20  Unique         6.01, 7.03 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   26 LEU  MDY          18 THR  HB          6.00    (#    864:20  Unique         4.19, 6.28 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:865     18 THR  HB          6.00    (#    865:20  Single Ambig)
 &rst
  ixpk= 865, nxpk= 20, iat= 260, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HN           18 THR  MG2         6.00    (#    866:20  Unique         4.45, 5.62 A)
 &rst
  ixpk= 866, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 296, 297, 298,
 &end
#
#   19 LYS  HN           18 THR  MG2         6.00    (#    867:20  Unique         4.67, 4.94 A)
 &rst
  ixpk= 867, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 296, 297, 298,
 &end
#
#   18 THR  HN           18 THR  MG2         2.60    (#    868:20  Unique         2.72, 3.49 A)
 &rst
  ixpk= 868, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 296, 297, 298,
 &end
#
#   16 ILE  HN           18 THR  MG2         6.00    (#    869:20  Unique         6.04, 6.75 A)
 &rst
  ixpk= 869, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 296, 297, 298,
 &end
#
#   20 GLY  HN           18 THR  MG2         5.50    (#    870:20  Unique)
 &rst
  ixpk= 870, nxpk= 20, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 296, 297, 298,
 &end
#
#   17 GLU  HN           18 THR  MG2         3.50    (#    871:20  Unique         3.28, 4.21 A)
 &rst
  ixpk= 871, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 296, 297, 298,
 &end
#
#   26 LEU  HN           18 THR  MG2         6.00    (#    872:20  Unique         4.74, 5.50 A)
 &rst
  ixpk= 872, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 296, 297, 298,
 &end
#
#    7 TYR  HD           18 THR  MG2         2.60    (#    874:20  Unique         2.25, 4.96 A)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 123, 132,
 igr2= 296, 297, 298,
 &end
#
#    7 TYR  HE           18 THR  MG2         2.60    (#    875:20  Unique         2.35, 5.16 A)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 125, 130,
 igr2= 296, 297, 298,
 &end
#
#    6 GLN  HA           18 THR  MG2         6.00    (#    876:20  Unique         4.58, 5.67 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 296, 297, 298,
 &end
#
#   17 GLU  HA           18 THR  MG2         3.50    (#    877:20  Unique         3.56, 4.42 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 296, 297, 298,
 &end
#
#   18 THR  HA           18 THR  MG2         3.50    (#    878:20  Unique         3.05, 3.68 A)
 &rst
  ixpk= 878, nxpk= 20, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 296, 297, 298,
 &end
#
#   18 THR  HB           18 THR  MG2         2.60    (#    881:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 881, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 296, 297, 298,
 &end
#
#    4 VAL  HA           18 THR  MG2         6.00    (#    882:20  Unique         6.57, 7.35 A)
 &rst
  ixpk= 882, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 296, 297, 298,
 &end
#
#    0 AMB  20-2:883     18 THR  MG2         3.50    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 358, 359, 358, 359,
 igr2= 296, 297, 298,
 &end
#
#    7 TYR  HB-          18 THR  MG2         6.00    (#    884:20  Unique         4.02, 5.37 A)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119, 120,
 igr2= 296, 297, 298,
 &end
#
#    0 AMB  20-2:885     18 THR  MG2         6.00    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 279, 280,
 igr2= 296, 297, 298,
 &end
#
#   26 LEU  HB+          18 THR  MG2         3.50    (#    886:20  Unique         2.57, 4.08 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 412, 413,
 igr2= 296, 297, 298,
 &end
#
#   16 ILE  HB           18 THR  MG2         3.50    (#    887:20  Unique         3.09, 3.67 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 296, 297, 298,
 &end
#
#    5 LYS  HB-          18 THR  MG2         6.00    (#    888:20  Unique         4.67, 5.93 A)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  80,  81,
 igr2= 296, 297, 298,
 &end
#
#   16 ILE  MG2          18 THR  MG2         2.60    (#    889:20  Unique         2.88, 4.41 A)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 262, 263, 264,
 igr2= 296, 297, 298,
 &end
#
#   26 LEU  MDX          18 THR  MG2         2.60    (#    890:20  Unique         2.33, 4.79 A)
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 296, 297, 298,
 &end
#
#   26 LEU  MDY          18 THR  MG2         3.50    (#    891:20  Unique         2.33, 4.79 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 296, 297, 298,
 &end
#
#   16 ILE  MD1          18 THR  MG2         6.00    (#    892:20  Unique         3.69, 4.94 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 269, 270, 271,
 igr2= 296, 297, 298,
 &end
#
#   19 LYS  HN           19 LYS  HB+         6.00    (#    894:20  Unique         2.41, 3.22 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 308, 309,
 &end
#
#   19 LYS  HN           19 LYS  HB-         6.00    (#    895:20  Unique         2.41, 3.22 A)
 &rst
  ixpk= 895, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 308, 309,
 &end
#
#    0 AMB  20-2:900      0 AMB  20-1:900    6.00    (#    900:20  Double Ambig)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 317, 318, 317, 318,
 igr2= 308, 309, 308, 309,
 &end
#
#    0 AMB  20-2:901     19 LYS  HB-         5.50    (#    901:20  Single Ambig)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 317, 318, 317, 318,
 igr2= 308, 309,
 &end
#
#    0 AMB  20-2:902      0 AMB  20-1:902    4.50    (#    902:20  Double Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 314, 315, 314, 315,
 igr2= 308, 309, 308, 309,
 &end
#
#   19 LYS  HG-          19 LYS  HB+         3.50    (#    903:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 311, 312,
 igr2= 308, 309,
 &end
#
#   19 LYS  HG+          19 LYS  HB+         3.50    (#    904:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 311, 312,
 igr2= 308, 309,
 &end
#
#   19 LYS  HG+          19 LYS  HB-         2.60    (#    905:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 311, 312,
 igr2= 308, 309,
 &end
#
#   19 LYS  HG-          19 LYS  HB-         2.60    (#    906:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 311, 312,
 igr2= 308, 309,
 &end
#
#    0 AMB  20-2:907     19 LYS  HB-         2.60    (#    907:20  Single Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 314, 315, 314, 315,
 igr2= 308, 309,
 &end
#
#   19 LYS  HN           19 LYS  HG+         6.00    (#    908:20  Unique         2.71, 3.49 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 311, 312,
 &end
#
#   19 LYS  HN           19 LYS  HG-         6.00    (#    909:20  Unique         2.71, 3.49 A)
 &rst
  ixpk= 909, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 311, 312,
 &end
#
#    5 LYS  HN           19 LYS  HG+         6.00    (#    910:20  Unique         3.71, 4.42 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 311, 312,
 &end
#
#    0 AMB  20-2:911      0 AMB  20-1:911    6.00    (#    911:20  Double Ambig)
 &rst
  ixpk= 911, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  45,  46,
 &end
#
#    4 VAL  HA           19 LYS  HG+         3.50    (#    914:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 914, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 311, 312,
 &end
#
#    4 VAL  HA           19 LYS  HG-         3.50    (#    915:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 915, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 311, 312,
 &end
#
#    0 AMB  20-2:916      0 AMB  20-1:916    2.60    (#    916:20  Double Ambig)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  51,  52,  51,  52,
 igr2=  45,  46,
 &end
#
#    0 AMB  20-2:917      0 AMB  20-1:917    2.60    (#    917:20  Double Ambig)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  51,  52,  51,  52,
 igr2=  45,  46,  45,  46,
 &end
#
#   19 LYS  HB+          19 LYS  HG-         2.60    (#    918:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 308, 309,
 igr2= 311, 312,
 &end
#
#   19 LYS  HB+          19 LYS  HG+         2.60    (#    919:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 308, 309,
 igr2= 311, 312,
 &end
#
#    0 AMB  20-2:920      0 AMB  20-1:920    2.60    (#    920:20  Double Ambig)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 314, 315, 314, 315,
 igr2= 311, 312, 311, 312,
 &end
#
#    0 AMB  20-2:921     19 LYS  HG-         2.60    (#    921:20  Single Ambig)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 314, 315, 314, 315,
 igr2= 311, 312,
 &end
#
#    4 VAL  MGY          19 LYS  HG-         3.50    (#    922:20  Unique         2.23, 4.10 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 311, 312,
 &end
#
#    4 VAL  MGY          19 LYS  HG+         3.50    (#    923:20  Unique         2.23, 4.10 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  66,  67,  68,  70,  71,  72,
 igr2= 311, 312,
 &end
#
#   19 LYS  HN            0 AMB  20-1:925    6.00    (#    925:20  Single Ambig)
 &rst
  ixpk= 925, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 314, 315, 314, 315,
 &end
#
#    0 AMB  20-2:931     27 LYS  HD-         3.50    (#    931:20  Single Ambig)
 &rst
  ixpk= 931, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 437, 438,
 &end
#
#    0 AMB  20-2:932      0 AMB  20-1:932    2.60    (#    932:20  Double Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 440, 441, 317, 318, 317, 318, 317, 318,
 igr2= 437, 438, 314, 315, 314, 315, 314, 315,
 &end
#
#    0 AMB  20-2:933      0 AMB  20-1:933    2.60    (#    933:20  Double Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 311, 312,
 igr2= 314, 315, 314, 315,
 &end
#
#    0 AMB  20-2:934      0 AMB  20-1:934    2.60    (#    934:20  Double Ambig)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 311, 312, 311, 312, 434, 435,
 igr2= 314, 315, 314, 315, 437, 438,
 &end
#
#   19 LYS  HN            0 AMB  20-1:937    6.00    (#    937:20  Single Ambig)
 &rst
  ixpk= 937, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 328, 329, 328, 329,
 &end
#
#   21 GLY  HN            0 AMB  20-1:938    3.50    (#    938:20  Single Ambig)
 &rst
  ixpk= 938, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 328, 329, 328, 329,
 &end
#
#   20 GLY  HN            0 AMB  20-1:939    3.50    (#    939:20  Single Ambig)
 &rst
  ixpk= 939, nxpk= 20, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 328, 329, 328, 329,
 &end
#
#   22 ASN  HN           21 GLY  HA+         4.30    (#    948:20  Unique         2.25, 2.54 A)
 &rst
  ixpk= 948, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 335, 336,
 &end
#
#   22 ASN  HN           21 GLY  HA-         5.50    (#    949:20  Unique         2.25, 2.54 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 335, 336,
 &end
#
#   21 GLY  HN           21 GLY  HA-         5.50    (#    950:20  Unique         2.58, 2.81 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 335, 336,
 &end
#
#   21 GLY  HN           21 GLY  HA+         5.50    (#    951:20  Unique         2.58, 2.81 A)
 &rst
  ixpk= 951, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 335, 336,
 &end
#
#   26 LEU  MDX          21 GLY  HA-         6.00    (#    956:20  Unique)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 335, 336,
 &end
#
#   26 LEU  MDX          21 GLY  HA+         5.50    (#    957:20  Unique)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 335, 336,
 &end
#
#   22 ASN  HN           22 ASN  HB+         4.50    (#    958:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 958, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 344, 345,
 &end
#
#   22 ASN  HN           22 ASN  HB-         4.50    (#    959:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 959, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 344, 345,
 &end
#
#   22 ASN  HD2+         22 ASN  HB+         3.50    (#    960:20  Unique         2.24, 3.18 A)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 349, 350,
 igr2= 344, 345,
 &end
#
#   22 ASN  HD2+         22 ASN  HB-         3.50    (#    961:20  Unique         2.24, 3.18 A)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 349, 350,
 igr2= 344, 345,
 &end
#
#   22 ASN  HD2-         22 ASN  HB+         3.50    (#    966:20  Unique         2.24, 3.18 A)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 349, 350,
 igr2= 344, 345,
 &end
#
#   22 ASN  HD2-         22 ASN  HB-         5.50    (#    967:20  Unique         2.24, 3.18 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 349, 350,
 igr2= 344, 345,
 &end
#
#   24 LYS  HN           23 HIS  HA          6.00    (#    976:20  Unique         2.21, 2.26 A)
 &rst
  ixpk= 976, nxpk= 20, iat= 372, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 THR  HB           23 HIS  HA          6.00    (#    977:20  Unique         5.28, 5.59 A)
 &rst
  ixpk= 977, nxpk= 20, iat= 294, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:978     23 HIS  HA          6.00    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359, 358, 359,
 &end
#
#   24 LYS  HN            0 AMB  20-1:979    6.00    (#    979:20  Single Ambig)
 &rst
  ixpk= 979, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 358, 359, 358, 359,
 &end
#
#    0 AMB  20-2:980      0 AMB  20-1:980    3.50    (#    980:20  Double Ambig)
 &rst
  ixpk= 980, nxpk= 20, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 358, 359, 358, 359,
 &end
#
#   23 HIS  HA            0 AMB  20-1:982    3.50    (#    982:20  Single Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 358, 359, 358, 359,
 &end
#
#   26 LEU  MDY           0 AMB  20-1:985    6.00    (#    985:20  Single Ambig)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 358, 359, 358, 359,
 &end
#
#   26 LEU  MDX           0 AMB  20-1:986    3.50    (#    986:20  Single Ambig)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 358, 359, 358, 359,
 &end
#
#    0 AMB  20-2:987      0 AMB  20-1:987    3.50    (#    987:20  Double Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 296, 297, 298, 412, 413,
 igr2= 358, 359, 358, 359, 358, 359,
 &end
#
#    0 AMB  20-2:988      0 AMB  20-1:988    3.50    (#    988:20  Double Ambig)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 415, 266, 267,
 igr2= 358, 359, 358, 359, 358, 359,
 &end
#
#    0 AMB  20-2:989      0 AMB  20-1:989    6.00    (#    989:20  Double Ambig)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 412, 413, 412, 413,
 igr2= 358, 359, 358, 359,
 &end
#
#   24 LYS  HN           24 LYS  HA          3.50    (#    992:20  Unique         2.70, 2.78 A)
 &rst
  ixpk= 992, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 THR  HN           24 LYS  HA          6.00    (#    993:20  Unique         3.61, 3.62 A)
 &rst
  ixpk= 993, nxpk= 20, iat= 394, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HN            0 AMB  20-1:994    3.50    (#    994:20  Single Ambig)
 &rst
  ixpk= 994, nxpk= 20, iat= 449, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HN            0 AMB  20-1:995    3.50    (#    995:20  Single Ambig)
 &rst
  ixpk= 995, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 429, 374,
 &end
#
#   23 HIS  HA            0 AMB  20-1:996    6.00    (#    996:20  Single Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat= 356, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:999     24 LYS  HA          3.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 385, 386, 385, 386,
 &end
#
#    0 AMB  20-2:1000     0 AMB  20-1:1000   6.00    (#   1000:20  Double Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 440, 441,
 &end
#
#   24 LYS  HG-          24 LYS  HA          3.50    (#   1001:20  Unique         2.16, 2.85 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 379, 380,
 &end
#
#    0 AMB  20-2:1002     0 AMB  20-1:1002   2.60    (#   1002:20  Double Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 379, 380, 434, 435,
 igr2= 374, 429,
 &end
#
#    0 AMB  20-2:1003    24 LYS  HA          3.50    (#   1003:20  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 382, 383, 382, 383,
 &end
#
#    0 AMB  20-2:1004     0 AMB  20-1:1004   2.60    (#   1004:20  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 376, 377, 376, 377,
 &end
#
#    0 AMB  20-2:1005     0 AMB  20-1:1005   2.20    (#   1005:20  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:1006    27 LYS  HA          6.00    (#   1006:20  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496, 412, 413,
 &end
#
#   26 LEU  HG           27 LYS  HA          6.00    (#   1007:20  Unique         4.13, 4.70 A)
 &rst
  ixpk= 1007, nxpk= 20, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1008     0 AMB  20-1:1008   6.00    (#   1008:20  Double Ambig)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 618, 619, 620, 622, 623, 624, 400, 401, 402,
 igr2= 429, 374,
 &end
#
#   24 LYS  HN           24 LYS  HB+         3.50    (#   1010:20  Unique         2.19, 2.59 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   24 LYS  HN           24 LYS  HB-         2.60    (#   1011:20  Unique         2.19, 2.59 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 376, 377,
 &end
#
#   25 THR  HN           24 LYS  HB+         3.50    (#   1012:20  Unique         2.40, 3.19 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   25 THR  HN           24 LYS  HB-         3.50    (#   1013:20  Unique         2.40, 3.19 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   23 HIS  HA           24 LYS  HB+         6.00    (#   1015:20  Unique         4.35, 4.78 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 376, 377,
 &end
#
#   23 HIS  HA           24 LYS  HB-         6.00    (#   1016:20  Unique         4.35, 4.78 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 376, 377,
 &end
#
#   24 LYS  HA           24 LYS  HB-         2.60    (#   1023:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 376, 377,
 &end
#
#   24 LYS  HA           24 LYS  HB+         2.60    (#   1024:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 1024, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:1025    24 LYS  HB-         3.50    (#   1025:20  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 385, 386, 385, 386,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:1026     0 AMB  20-1:1026   3.50    (#   1026:20  Double Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 385, 386, 385, 386,
 igr2= 376, 377, 376, 377,
 &end
#
#   24 LYS  HG-          24 LYS  HB-         2.60    (#   1028:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#   24 LYS  HG+          24 LYS  HB+         2.20    (#   1029:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#   24 LYS  HG-          24 LYS  HB+         2.60    (#   1030:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#   24 LYS  HG+          24 LYS  HB-         2.20    (#   1031:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 379, 380,
 igr2= 376, 377,
 &end
#
#   24 LYS  HN           24 LYS  HG+         6.00    (#   1032:20  Unique         2.37, 4.16 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 379, 380,
 &end
#
#   24 LYS  HN           24 LYS  HG-         6.00    (#   1033:20  Unique         2.37, 4.16 A)
 &rst
  ixpk= 1033, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 379, 380,
 &end
#
#   25 THR  HN           24 LYS  HG+         6.00    (#   1034:20  Unique         3.64, 4.51 A)
 &rst
  ixpk= 1034, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 379, 380,
 &end
#
#   25 THR  HN           24 LYS  HG-         6.00    (#   1035:20  Unique         3.64, 4.51 A)
 &rst
  ixpk= 1035, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 379, 380,
 &end
#
#   24 LYS  HA           24 LYS  HG+         2.60    (#   1036:20  Unique         2.16, 2.85 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 379, 380,
 &end
#
#   24 LYS  HA           24 LYS  HG-         3.50    (#   1037:20  Unique         2.16, 2.85 A)
 &rst
  ixpk= 1037, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 379, 380,
 &end
#
#    0 AMB  20-2:1040     0 AMB  20-1:1040   2.60    (#   1040:20  Double Ambig)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 385, 386, 385, 386,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  20-2:1041    24 LYS  HG-         2.60    (#   1041:20  Single Ambig)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 385, 386, 385, 386,
 igr2= 379, 380,
 &end
#
#    0 AMB  20-2:1042    24 LYS  HG-         2.60    (#   1042:20  Single Ambig)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 382, 383, 382, 383,
 igr2= 379, 380,
 &end
#
#    0 AMB  20-2:1043     0 AMB  20-1:1043   2.60    (#   1043:20  Double Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 382, 383, 382, 383,
 igr2= 379, 380, 379, 380,
 &end
#
#   24 LYS  HB+          24 LYS  HG+         2.60    (#   1044:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 376, 377,
 igr2= 379, 380,
 &end
#
#   24 LYS  HB+          24 LYS  HG-         2.20    (#   1045:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 376, 377,
 igr2= 379, 380,
 &end
#
#   29 TRP  HN           25 THR  HA          6.00    (#   1046:20  Unique         3.92, 4.04 A)
 &rst
  ixpk= 1046, nxpk= 20, iat= 464, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  HN           25 THR  HA          3.50    (#   1047:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1047, nxpk= 20, iat= 394, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HN           25 THR  HA          6.00    (#   1048:20  Unique         4.31, 4.40 A)
 &rst
  ixpk= 1048, nxpk= 20, iat= 427, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           25 THR  HA          6.00    (#   1049:20  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1049, nxpk= 20, iat= 408, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HN           25 THR  HA          3.50    (#   1050:20  Unique         3.11, 3.18 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 449, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 HIS  HD2          25 THR  HA          6.00    (#   1051:20  Unique)
 &rst
  ixpk= 1051, nxpk= 20, iat= 368, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HA           25 THR  HA          6.00    (#   1052:20  Unique         5.12, 5.20 A)
 &rst
  ixpk= 1052, nxpk= 20, iat= 451, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  HB           25 THR  HA          3.50    (#   1053:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1053, nxpk= 20, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 GLU  HG+          25 THR  HA          6.00    (#   1055:20  Unique         3.38, 3.83 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 457,
 &end
#
#   28 GLU  HB+          25 THR  HA          3.50    (#   1056:20  Unique         2.40, 3.36 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 453, 454,
 &end
#
#    0 AMB  20-2:1057    25 THR  HA          3.50    (#   1057:20  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 453, 454, 456, 457,
 &end
#
#    0 AMB  20-2:1058    25 THR  HA          6.00    (#   1058:20  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 376, 377,
 &end
#
#    0 AMB  20-2:1059    25 THR  HA          6.00    (#   1059:20  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 431, 432, 431, 432,
 &end
#
#   24 LYS  HG-          25 THR  HA          6.00    (#   1060:20  Unique         3.92, 5.26 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   25 THR  MG2          25 THR  HA          2.60    (#   1061:20  Unique         2.30, 3.02 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 400, 401, 402,
 &end
#
#   16 ILE  MD1          25 THR  HA          6.00    (#   1062:20  Unique         4.58, 5.45 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   25 THR  HN           25 THR  HB          3.50    (#   1063:20  Unique         2.59, 2.66 A)
 &rst
  ixpk= 1063, nxpk= 20, iat= 394, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 LEU  HN           25 THR  HB          3.50    (#   1064:20  Unique         2.71, 2.78 A)
 &rst
  ixpk= 1064, nxpk= 20, iat= 408, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 HIS  HD2          25 THR  HB          3.50    (#   1065:20  Unique)
 &rst
  ixpk= 1065, nxpk= 20, iat= 368, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 GLU  HN           25 THR  HB          6.00    (#   1066:20  Unique         5.35, 5.39 A)
 &rst
  ixpk= 1066, nxpk= 20, iat= 449, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  HA           25 THR  HB          3.50    (#   1067:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1067, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1068    25 THR  HB          6.00    (#   1068:20  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 412, 413, 376, 377,
 &end
#
#   16 ILE  HG1-         25 THR  HB          6.00    (#   1069:20  Unique         3.28, 4.11 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 266, 267,
 &end
#
#    0 AMB  20-2:1070    25 THR  HB          2.60    (#   1070:20  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 400, 401, 402, 262, 263, 264,
 &end
#
#   16 ILE  MD1          25 THR  HB          3.50    (#   1071:20  Unique         2.33, 3.49 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  20-2:1072    25 THR  HB          6.00    (#   1072:20  Single Ambig)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 453, 454, 456, 457,
 &end
#
#   29 TRP  HE1          25 THR  MG2         2.60    (#   1073:20  Unique         2.47, 2.82 A)
 &rst
  ixpk= 1073, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 400, 401, 402,
 &end
#
#   29 TRP  HN           25 THR  MG2         6.00    (#   1074:20  Unique         4.40, 5.01 A)
 &rst
  ixpk= 1074, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:1075    25 THR  MG2         6.00    (#   1075:20  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 256, 488,
 igr2= 400, 401, 402,
 &end
#
#    9 ASN  HN           25 THR  MG2         6.00    (#   1076:20  Unique         6.64, 7.29 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#   25 THR  HN           25 THR  MG2         6.00    (#   1077:20  Unique         4.41, 4.57 A)
 &rst
  ixpk= 1077, nxpk= 20, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#   26 LEU  HN           25 THR  MG2         6.00    (#   1078:20  Unique         3.85, 4.58 A)
 &rst
  ixpk= 1078, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:1079    25 THR  MG2         6.00    (#   1079:20  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#   14 GLU  HN           25 THR  MG2         6.00    (#   1080:20  Unique         6.58, 7.08 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:1081    25 THR  MG2         2.60    (#   1081:20  Single Ambig)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 477, 472,
 igr2= 400, 401, 402,
 &end
#
#   29 TRP  HH2          25 THR  MG2         6.00    (#   1082:20  Unique         4.62, 5.41 A)
 &rst
  ixpk= 1082, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#   28 GLU  HA           25 THR  MG2         6.00    (#   1083:20  Unique         6.46, 7.35 A)
 &rst
  ixpk= 1083, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#   25 THR  HA           25 THR  MG2         2.20    (#   1084:20  Unique         2.30, 3.02 A)
 &rst
  ixpk= 1084, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 400, 401, 402,
 &end
#
#   25 THR  HB           25 THR  MG2         2.60    (#   1085:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 1085, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 400, 401, 402,
 &end
#
#   26 LEU  HA           25 THR  MG2         6.00    (#   1086:20  Unique         3.84, 4.94 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:1087    25 THR  MG2         6.00    (#   1087:20  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 453, 454, 162, 163,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:1088    25 THR  MG2         3.50    (#   1088:20  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 229, 230, 453, 454, 456, 457,
 igr2= 400, 401, 402,
 &end
#
#    0 AMB  20-2:1089    25 THR  MG2         6.00    (#   1089:20  Single Ambig)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 412, 413, 376, 377,
 igr2= 400, 401, 402,
 &end
#
#   16 ILE  HG1-         25 THR  MG2         3.50    (#   1090:20  Unique         3.02, 4.43 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 266, 267,
 igr2= 400, 401, 402,
 &end
#
#   16 ILE  MD1          25 THR  MG2         2.60    (#   1093:20  Unique         2.60, 4.34 A)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 269, 270, 271,
 igr2= 400, 401, 402,
 &end
#
#   29 TRP  HA           25 THR  MG2         6.00    (#   1094:20  Unique         6.05, 6.62 A)
 &rst
  ixpk= 1094, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 400, 401, 402,
 &end
#
#   29 TRP  HN           26 LEU  HA          6.00    (#   1095:20  Unique         3.23, 3.37 A)
 &rst
  ixpk= 1095, nxpk= 20, iat= 464, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HN           26 LEU  HA          6.00    (#   1096:20  Unique         3.84, 3.98 A)
 &rst
  ixpk= 1096, nxpk= 20, iat= 488, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1097    26 LEU  HA          6.00    (#   1097:20  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 394, 275,
 &end
#
#   27 LYS  HN           26 LEU  HA          6.00    (#   1098:20  Unique         3.54, 3.56 A)
 &rst
  ixpk= 1098, nxpk= 20, iat= 427, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           26 LEU  HA          3.50    (#   1099:20  Unique         2.87, 2.88 A)
 &rst
  ixpk= 1099, nxpk= 20, iat= 408, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1100    26 LEU  HA          6.00    (#   1100:20  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 20, iat= 449, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1102    26 LEU  HA          6.00    (#   1102:20  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 396, 429,
 &end
#
#   29 TRP  HB+          26 LEU  HA          3.50    (#   1103:20  Unique         2.61, 3.63 A)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 468, 469,
 &end
#
#   29 TRP  HB-          26 LEU  HA          6.00    (#   1104:20  Unique         2.61, 3.63 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 468, 469,
 &end
#
#    0 AMB  20-2:1106    26 LEU  HA          6.00    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 358, 359, 358, 359, 501, 502,
 &end
#
#    0 AMB  20-2:1107    26 LEU  HA          6.00    (#   1107:20  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 495, 496, 431, 432, 431, 432,
 &end
#
#   26 LEU  HB+          26 LEU  HA          3.50    (#   1108:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 412, 413,
 &end
#
#    0 AMB  20-2:1109    26 LEU  HA          6.00    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 260, 434, 435,
 &end
#
#   26 LEU  HB-          26 LEU  HA          2.60    (#   1110:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 412, 413,
 &end
#
#    0 AMB  20-2:1111    26 LEU  HA          3.50    (#   1111:20  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 415, 266, 267,
 &end
#
#    0 AMB  20-2:1112    26 LEU  HA          6.00    (#   1112:20  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 618, 619, 620, 622, 623, 624, 162, 163,
 &end
#
#    0 AMB  20-2:1113    26 LEU  HA          3.50    (#   1113:20  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 400, 401, 402, 618, 619, 620, 622, 623, 624, 262,
       263, 264,
 &end
#
#   26 LEU  MDX          26 LEU  HA          3.50    (#   1114:20  Unique         2.22, 3.72 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDY          26 LEU  HA          2.60    (#   1115:20  Unique         2.22, 3.72 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1          26 LEU  HA          3.50    (#   1116:20  Unique         2.66, 2.96 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  20-2:1117    26 LEU  HB-         6.00    (#   1117:20  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 394, 275,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:1118     0 AMB  20-1:1118   6.00    (#   1118:20  Double Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 394, 275,
 igr2= 412, 413, 412, 413,
 &end
#
#   27 LYS  HN           26 LEU  HB+         3.50    (#   1119:20  Unique         2.53, 3.32 A)
 &rst
  ixpk= 1119, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#   26 LEU  HN           26 LEU  HB+         3.50    (#   1120:20  Unique         2.38, 2.50 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#   27 LYS  HN           26 LEU  HB-         3.50    (#   1121:20  Unique         2.53, 3.32 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#   26 LEU  HN           26 LEU  HB-         3.50    (#   1122:20  Unique         2.38, 2.50 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#   23 HIS  HN           26 LEU  HB-         6.00    (#   1123:20  Unique         2.36, 3.54 A)
 &rst
  ixpk= 1123, nxpk= 20, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 412, 413,
 &end
#
#   23 HIS  HN           26 LEU  HB+         6.00    (#   1124:20  Unique         2.36, 3.54 A)
 &rst
  ixpk= 1124, nxpk= 20, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:1125     0 AMB  20-1:1125   6.00    (#   1125:20  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:1126    26 LEU  HB-         6.00    (#   1126:20  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 398, 468, 469,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:1127    26 LEU  HB-         6.00    (#   1127:20  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 429, 374, 396,
 igr2= 412, 413,
 &end
#
#   26 LEU  HA           26 LEU  HB+         3.50    (#   1128:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#   26 LEU  HA           26 LEU  HB-         3.50    (#   1129:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1129, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:1132     0 AMB  20-1:1132   3.50    (#   1132:20  Double Ambig)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 358, 359, 358, 359,
 igr2= 412, 413, 412, 413,
 &end
#
#    0 AMB  20-2:1133    26 LEU  HB-         3.50    (#   1133:20  Single Ambig)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 358, 359, 358, 359,
 igr2= 412, 413,
 &end
#
#    0 AMB  20-2:1134     0 AMB  20-1:1134   6.00    (#   1134:20  Double Ambig)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 431, 432, 431, 432,
 igr2= 412, 413, 412, 413,
 &end
#
#    0 AMB  20-2:1135    26 LEU  HB-         6.00    (#   1135:20  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 431, 432, 431, 432, 495, 496,
 igr2= 412, 413,
 &end
#
#   26 LEU  HG           26 LEU  HB+         2.60    (#   1136:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1136, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 412, 413,
 &end
#
#   26 LEU  HG           26 LEU  HB-         2.60    (#   1137:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1137, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 412, 413,
 &end
#
#   16 ILE  MG2          26 LEU  HB-         6.00    (#   1138:20  Unique         2.76, 4.91 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 262, 263, 264,
 igr2= 412, 413,
 &end
#
#   16 ILE  MG2          26 LEU  HB+         6.00    (#   1139:20  Unique         2.76, 4.91 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 262, 263, 264,
 igr2= 412, 413,
 &end
#
#   38 VAL  MGY          26 LEU  HB-         6.00    (#   1140:20  Unique         5.41, 7.15 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 412, 413,
 &end
#
#   38 VAL  MGY          26 LEU  HB+         6.00    (#   1141:20  Unique         5.41, 7.15 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDX          26 LEU  HB+         2.60    (#   1142:20  Unique         2.37, 3.41 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDX          26 LEU  HB-         2.60    (#   1143:20  Unique         2.37, 3.41 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDY          26 LEU  HB-         3.50    (#   1144:20  Unique         2.37, 3.41 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   26 LEU  MDY          26 LEU  HB+         3.50    (#   1145:20  Unique         2.37, 3.41 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 412, 413,
 &end
#
#   16 ILE  MD1          26 LEU  HB+         6.00    (#   1146:20  Unique         2.24, 3.51 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 269, 270, 271,
 igr2= 412, 413,
 &end
#
#   16 ILE  MD1          26 LEU  HB-         3.50    (#   1147:20  Unique         2.24, 3.51 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 269, 270, 271,
 igr2= 412, 413,
 &end
#
#   26 LEU  HN            0 AMB  20-1:1148   6.00    (#   1148:20  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 415, 266, 267,
 &end
#
#   27 LYS  HN           26 LEU  HG          6.00    (#   1149:20  Unique         3.92, 4.24 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 427, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HE-          26 LEU  HG          6.00    (#   1150:20  Unique         2.62, 4.20 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#    0 AMB  20-2:1151    16 ILE  HG1-        6.00    (#   1151:20  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 229, 230, 105, 106,
 igr2= 266, 267,
 &end
#
#    0 AMB  20-2:1152    26 LEU  HG          2.60    (#   1152:20  Single Ambig)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 412, 413, 492, 493,
 &end
#
#   29 TRP  HN           26 LEU  MDX         6.00    (#   1154:20  Unique         4.57, 6.50 A)
 &rst
  ixpk= 1154, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1155    26 LEU  MDX         6.00    (#   1155:20  Single Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 275, 394,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HN           26 LEU  MDX         6.00    (#   1156:20  Unique         3.64, 5.77 A)
 &rst
  ixpk= 1156, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   27 LYS  HN           26 LEU  MDX         6.00    (#   1157:20  Unique         3.63, 5.45 A)
 &rst
  ixpk= 1157, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HN           26 LEU  MDX         6.00    (#   1158:20  Unique         4.63, 5.20 A)
 &rst
  ixpk= 1158, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1160    26 LEU  MDX         6.00    (#   1160:20  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 20, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HD           26 LEU  MDX         6.00    (#   1161:20  Unique         3.01, 4.70 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 123, 132,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HE           26 LEU  MDX         3.50    (#   1162:20  Unique         3.07, 4.71 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 125, 130,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   39 GLU  HA           26 LEU  MDX         6.00    (#   1163:20  Unique         4.80, 6.39 A)
 &rst
  ixpk= 1163, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   21 GLY  HA+          26 LEU  MDX         5.50    (#   1164:20  Unique)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 335, 336,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   18 THR  HB           26 LEU  MDX         6.00    (#   1165:20  Unique         4.19, 6.28 A)
 &rst
  ixpk= 1165, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   21 GLY  HA-          26 LEU  MDX         6.00    (#   1166:20  Unique         3.41, 6.01 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 335, 336,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   29 TRP  HB+          26 LEU  MDX         6.00    (#   1167:20  Unique         2.82, 5.84 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 468, 469,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HA           26 LEU  MDX         3.50    (#   1168:20  Unique         2.22, 3.72 A)
 &rst
  ixpk= 1168, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HE+          26 LEU  MDX         3.50    (#   1169:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 501, 502,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HE-          26 LEU  MDX         3.50    (#   1171:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 501, 502,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1172    26 LEU  MDX         6.00    (#   1172:20  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 495, 496, 431, 432, 431, 432,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1173    26 LEU  MDX         2.60    (#   1173:20  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 412, 413, 492, 493,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  HB           26 LEU  MDX         6.00    (#   1174:20  Unique         3.91, 5.77 A)
 &rst
  ixpk= 1174, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HG           26 LEU  MDX         2.20    (#   1175:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1175, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1176    26 LEU  MDX         2.60    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 296, 297, 298, 412, 413,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   38 VAL  MGY          26 LEU  MDX         3.50    (#   1177:20  Unique         2.28, 5.43 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1          26 LEU  MDX         6.00    (#   1179:20  Unique         2.28, 4.69 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 269, 270, 271,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   29 TRP  HN           26 LEU  MDY         6.00    (#   1180:20  Unique         4.57, 6.50 A)
 &rst
  ixpk= 1180, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HN           26 LEU  MDY         6.00    (#   1181:20  Unique         3.64, 5.77 A)
 &rst
  ixpk= 1181, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1182    26 LEU  MDY         6.00    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 275, 394,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   27 LYS  HN           26 LEU  MDY         6.00    (#   1183:20  Unique         3.63, 5.45 A)
 &rst
  ixpk= 1183, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HN           26 LEU  MDY         6.00    (#   1184:20  Unique         4.63, 5.20 A)
 &rst
  ixpk= 1184, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   28 GLU  HN           26 LEU  MDY         6.00    (#   1185:20  Unique         5.67, 7.18 A)
 &rst
  ixpk= 1185, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   41 TRP  HE3          26 LEU  MDY         6.00    (#   1186:20  Unique         5.27, 7.36 A)
 &rst
  ixpk= 1186, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HD           26 LEU  MDY         3.50    (#   1189:20  Unique         3.01, 4.70 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 123, 132,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    7 TYR  HE           26 LEU  MDY         3.50    (#   1190:20  Unique         3.07, 4.71 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 125, 130,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   18 THR  HB           26 LEU  MDY         6.00    (#   1192:20  Unique         4.19, 6.28 A)
 &rst
  ixpk= 1192, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   27 LYS  HA           26 LEU  MDY         6.00    (#   1193:20  Unique         3.41, 6.01 A)
 &rst
  ixpk= 1193, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   29 TRP  HB+          26 LEU  MDY         3.50    (#   1194:20  Unique         2.82, 5.84 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 468, 469,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HA           26 LEU  MDY         2.60    (#   1195:20  Unique         2.22, 3.72 A)
 &rst
  ixpk= 1195, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HE+          26 LEU  MDY         3.50    (#   1197:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 501, 502,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HE-          26 LEU  MDY         3.50    (#   1198:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 501, 502,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1199    26 LEU  MDY         3.50    (#   1199:20  Single Ambig)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 495, 496, 431, 432, 431, 432, 614,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1200    26 LEU  MDY         3.50    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 412, 413, 492, 493,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  HB           26 LEU  MDY         6.00    (#   1201:20  Unique         3.91, 5.77 A)
 &rst
  ixpk= 1201, nxpk= 20, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  HG           26 LEU  MDY         2.20    (#   1202:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1202, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#    0 AMB  20-2:1203    26 LEU  MDY         2.60    (#   1203:20  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 296, 297, 298, 412, 413,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   38 VAL  MGY          26 LEU  MDY         2.60    (#   1204:20  Unique         2.28, 5.43 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1          26 LEU  MDY         2.60    (#   1206:20  Unique         2.28, 4.69 A)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 269, 270, 271,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   29 TRP  HB-          26 LEU  MDY         6.00    (#   1207:20  Unique         2.82, 5.84 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 468, 469,
 igr2= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HN           27 LYS  HA          6.00    (#   1208:20  Unique         3.31, 3.45 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 488, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HN            0 AMB  20-1:1209   6.00    (#   1209:20  Single Ambig)
 &rst
  ixpk= 1209, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 429, 374,
 &end
#
#   27 LYS  HN            0 AMB  20-1:1210   3.50    (#   1210:20  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 429, 374,
 &end
#
#   26 LEU  HN            0 AMB  20-1:1211   6.00    (#   1211:20  Single Ambig)
 &rst
  ixpk= 1211, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 374, 429,
 &end
#
#   31 ALA  HN           27 LYS  HA          6.00    (#   1212:20  Unique         3.95, 4.03 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 510, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HN            0 AMB  20-1:1213   3.50    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 429, 374,
 &end
#
#    0 AMB  20-2:1214     0 AMB  20-1:1214   6.00    (#   1214:20  Double Ambig)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#    0 AMB  20-2:1215     0 AMB  20-1:1215   6.00    (#   1215:20  Double Ambig)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 457,
 &end
#
#   27 LYS  HN            0 AMB  20-1:1216   2.60    (#   1216:20  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 431, 432, 431, 432,
 &end
#
#   26 LEU  HN            0 AMB  20-1:1217   6.00    (#   1217:20  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 431, 432, 431, 432,
 &end
#
#   28 GLU  HN            0 AMB  20-1:1218   2.60    (#   1218:20  Single Ambig)
 &rst
  ixpk= 1218, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:1219     0 AMB  20-1:1219   2.60    (#   1219:20  Double Ambig)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 374, 429,
 igr2= 431, 432, 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:1220     0 AMB  20-1:1220   3.50    (#   1220:20  Double Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 440, 441,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:1221     0 AMB  20-1:1221   3.50    (#   1221:20  Double Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 440, 441,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  20-2:1222     0 AMB  20-1:1222   3.50    (#   1222:20  Double Ambig)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 437, 438, 437, 438,
 igr2= 431, 432, 431, 432,
 &end
#
#   27 LYS  HG-           0 AMB  20-1:1223   2.20    (#   1223:20  Single Ambig)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 434, 435,
 igr2= 431, 432, 431, 432,
 &end
#
#   27 LYS  HN           27 LYS  HG-         4.30    (#   1224:20  Unique         4.44, 4.49 A)
 &rst
  ixpk= 1224, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 434, 435,
 &end
#
#   27 LYS  HN           27 LYS  HG+         4.30    (#   1225:20  Unique         4.44, 4.49 A)
 &rst
  ixpk= 1225, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 434, 435,
 &end
#
#   28 GLU  HN           27 LYS  HG+         6.00    (#   1226:20  Unique         4.24, 4.62 A)
 &rst
  ixpk= 1226, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:1227     0 AMB  20-1:1227   6.00    (#   1227:20  Double Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:1228     0 AMB  20-1:1228   6.00    (#   1228:20  Double Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 451, 512,
 igr2= 434, 435, 434, 435,
 &end
#
#    0 AMB  20-2:1230    27 LYS  HG-         3.50    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:1231     0 AMB  20-1:1231   3.50    (#   1231:20  Double Ambig)
 &rst
  ixpk= 1231, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:1232     0 AMB  20-1:1232   3.50    (#   1232:20  Double Ambig)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 440, 441,
 igr2= 434, 435,
 &end
#
#   27 LYS  HE+          27 LYS  HG+         3.50    (#   1233:20  Unique         2.37, 2.94 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 440, 441,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:1234    27 LYS  HG-         3.50    (#   1234:20  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 440, 441,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:1235     0 AMB  20-1:1235   2.20    (#   1235:20  Double Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 431, 432, 431, 432,
 igr2= 434, 435, 434, 435,
 &end
#
#    0 AMB  20-2:1236    27 LYS  HG-         2.20    (#   1236:20  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 431, 432, 431, 432,
 igr2= 434, 435,
 &end
#
#    0 AMB  20-2:1237     0 AMB  20-1:1237   2.60    (#   1237:20  Double Ambig)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 437, 438,
 igr2= 434, 435,
 &end
#
#   30 LYS  HN           27 LYS  HD-         6.00    (#   1238:20  Unique         5.57, 6.31 A)
 &rst
  ixpk= 1238, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 437, 438,
 &end
#
#   30 LYS  HN            0 AMB  20-1:1239   6.00    (#   1239:20  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 498, 499, 437, 438,
 &end
#
#   27 LYS  HN            0 AMB  20-1:1240   6.00    (#   1240:20  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 437, 438, 498, 499,
 &end
#
#   27 LYS  HN            0 AMB  20-1:1241   6.00    (#   1241:20  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 437, 438,
 &end
#
#    0 AMB  20-2:1242     0 AMB  20-1:1242   6.00    (#   1242:20  Double Ambig)
 &rst
  ixpk= 1242, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 437, 438,
 &end
#
#   28 GLU  HN           27 LYS  HD+         6.00    (#   1243:20  Unique         2.90, 3.35 A)
 &rst
  ixpk= 1243, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 437, 438,
 &end
#
#    0 AMB  20-2:1245     0 AMB  20-1:1245   2.60    (#   1245:20  Double Ambig)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 374, 429,
 igr2= 437, 438, 498, 499, 437, 438,
 &end
#
#   26 LEU  HA            0 AMB  20-1:1246   6.00    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 498, 499, 437, 438,
 &end
#
#    0 AMB  20-2:1247     0 AMB  20-1:1247   6.00    (#   1247:20  Double Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=  24,  25,  24,  25,  24,  25,
 igr2= 314, 315, 314, 315, 314, 315,
 &end
#
#   27 LYS  HE-          27 LYS  HD+         2.60    (#   1249:20  Unique         2.29, 2.72 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 440, 441,
 igr2= 437, 438,
 &end
#
#   27 LYS  HE-           0 AMB  20-1:1250   2.60    (#   1250:20  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 440, 441,
 igr2= 437, 438,
 &end
#
#   30 LYS  HG-          30 LYS  HD+         6.00    (#   1251:20  Unique         2.33, 2.64 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 498, 499,
 &end
#
#   24 LYS  HN            0 AMB  20-1:1253   6.00    (#   1253:20  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 385, 386, 385, 386,
 &end
#
#   27 LYS  HN            0 AMB  20-1:1254   6.00    (#   1254:20  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 440, 441,
 &end
#
#   27 LYS  HN           27 LYS  HE-         6.00    (#   1255:20  Unique         6.25, 6.40 A)
 &rst
  ixpk= 1255, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 440, 441,
 &end
#
#    0 AMB  20-2:1257     0 AMB  20-1:1257   3.50    (#   1257:20  Double Ambig)
 &rst
  ixpk= 1257, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 385, 386, 385, 386,
 &end
#
#    0 AMB  20-2:1258    27 LYS  HE-         4.30    (#   1258:20  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 440, 441,
 &end
#
#    0 AMB  20-2:1263    27 LYS  HE-         2.60    (#   1263:20  Single Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 431, 432, 431, 432,
 igr2= 440, 441,
 &end
#
#    0 AMB  20-2:1264    27 LYS  HE-         2.20    (#   1264:20  Single Ambig)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 437, 438, 434, 435,
 igr2= 440, 441,
 &end
#
#    0 AMB  20-2:1265    27 LYS  HE-         2.60    (#   1265:20  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 437, 438,
 igr2= 440, 441,
 &end
#
#   27 LYS  HG-          27 LYS  HE-         2.60    (#   1266:20  Unique         2.37, 2.94 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 434, 435,
 igr2= 440, 441,
 &end
#
#    0 AMB  20-2:1267     0 AMB  20-1:1267   2.60    (#   1267:20  Double Ambig)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 379, 380, 379, 380, 434, 435,
 igr2= 385, 386, 385, 386, 440, 441,
 &end
#
#    0 AMB  20-2:1268     0 AMB  20-1:1268   2.60    (#   1268:20  Double Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 437, 438,
 igr2= 440, 441,
 &end
#
#   24 LYS  HG-           0 AMB  20-1:1271   2.60    (#   1271:20  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 379, 380,
 igr2= 385, 386, 385, 386,
 &end
#
#    0 AMB  20-2:1273     0 AMB  20-1:1273   2.60    (#   1273:20  Double Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 431, 432, 431, 432,
 igr2= 440, 441,
 &end
#
#    0 AMB  20-2:1274     0 AMB  20-1:1274   2.60    (#   1274:20  Double Ambig)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 437, 438,
 igr2= 440, 441,
 &end
#
#    0 AMB  20-2:1275     0 AMB  20-1:1275   2.60    (#   1275:20  Double Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 376, 377, 437, 438, 434, 435,
 igr2= 385, 386, 385, 386, 440, 441, 440, 441,
 &end
#
#   29 TRP  HN           28 GLU  HA          3.50    (#   1276:20  Unique         3.54, 3.55 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 464, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HN           28 GLU  HA          6.00    (#   1277:20  Unique         4.38, 4.45 A)
 &rst
  ixpk= 1277, nxpk= 20, iat= 488, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HN           28 GLU  HA          3.50    (#   1278:20  Unique         3.13, 3.27 A)
 &rst
  ixpk= 1278, nxpk= 20, iat= 510, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HN           28 GLU  HA          6.00    (#   1279:20  Unique         5.20, 5.22 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 427, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HN           28 GLU  HA          2.80    (#   1280:20  Unique         2.80, 2.81 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 449, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 LYS  HN           28 GLU  HA          6.00    (#   1281:20  Unique         3.66, 3.69 A)
 &rst
  ixpk= 1281, nxpk= 20, iat= 520, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HG+          28 GLU  HA          2.80    (#   1282:20  Unique         2.38, 3.02 A)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 456, 457,
 &end
#
#    0 AMB  20-2:1283    28 GLU  HA          2.60    (#   1283:20  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 453, 454, 533, 534,
 &end
#
#    0 AMB  20-2:1284    28 GLU  HA          2.20    (#   1284:20  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 456, 457, 453, 454,
 &end
#
#    0 AMB  20-2:1285    28 GLU  HA          6.00    (#   1285:20  Single Ambig)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 431, 432, 431, 432, 495, 496,
 &end
#
#    0 AMB  20-2:1286    28 GLU  HA          6.00    (#   1286:20  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 437, 438, 434, 435,
 &end
#
#    0 AMB  20-2:1287    28 GLU  HA          6.00    (#   1287:20  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 524, 525,
 &end
#
#   31 ALA  MB           28 GLU  HA          2.60    (#   1288:20  Unique         2.51, 3.28 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 514, 515, 516,
 &end
#
#   25 THR  MG2          28 GLU  HA          6.00    (#   1289:20  Unique         6.46, 7.35 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 400, 401, 402,
 &end
#
#   29 TRP  HN           28 GLU  HB+         3.50    (#   1290:20  Unique         2.72, 3.21 A)
 &rst
  ixpk= 1290, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#   29 TRP  HN           28 GLU  HB-         3.50    (#   1291:20  Unique         2.72, 3.21 A)
 &rst
  ixpk= 1291, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#   30 LYS  HN           28 GLU  HB-         6.00    (#   1292:20  Unique         5.19, 5.46 A)
 &rst
  ixpk= 1292, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   27 LYS  HN           28 GLU  HB+         6.00    (#   1293:20  Unique         4.82, 5.56 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   31 ALA  HN           28 GLU  HB+         6.00    (#   1294:20  Unique         5.06, 5.34 A)
 &rst
  ixpk= 1294, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   31 ALA  HN           28 GLU  HB-         6.00    (#   1295:20  Unique         5.06, 5.34 A)
 &rst
  ixpk= 1295, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   27 LYS  HN           28 GLU  HB-         6.00    (#   1296:20  Unique         4.82, 5.56 A)
 &rst
  ixpk= 1296, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   28 GLU  HN           28 GLU  HB+         2.60    (#   1297:20  Unique         2.34, 2.99 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#   28 GLU  HN           28 GLU  HB-         2.60    (#   1298:20  Unique         2.34, 2.99 A)
 &rst
  ixpk= 1298, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#   32 LYS  HN           28 GLU  HB-         6.00    (#   1299:20  Unique         4.39, 5.05 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   32 LYS  HN           28 GLU  HB+         6.00    (#   1300:20  Unique         4.39, 5.05 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   29 TRP  HD1          28 GLU  HB+         6.00    (#   1301:20  Unique         3.04, 3.40 A)
 &rst
  ixpk= 1301, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   29 TRP  HD1          28 GLU  HB-         6.00    (#   1302:20  Unique         3.04, 3.40 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 453, 454,
 &end
#
#   28 GLU  HA           28 GLU  HB+         2.60    (#   1303:20  Unique         2.53, 2.78 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#   28 GLU  HA           28 GLU  HB-         2.60    (#   1304:20  Unique         2.53, 2.78 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 453, 454,
 &end
#
#   25 THR  HA           28 GLU  HB-         3.50    (#   1305:20  Unique         2.40, 3.36 A)
 &rst
  ixpk= 1305, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#   25 THR  HA           28 GLU  HB+         3.50    (#   1306:20  Unique         2.40, 3.36 A)
 &rst
  ixpk= 1306, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:1307     0 AMB  20-1:1307   6.00    (#   1307:20  Double Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 468, 469, 398,
 igr2= 453, 454, 453, 454,
 &end
#
#   28 GLU  HG+          28 GLU  HB+         2.60    (#   1308:20  Unique         2.35, 2.68 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 456, 457,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:1309    28 GLU  HB-         2.60    (#   1309:20  Single Ambig)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 533, 534, 456, 457,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:1310     0 AMB  20-1:1310   6.00    (#   1310:20  Double Ambig)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 431, 432, 431, 432,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  20-2:1311    28 GLU  HB-         6.00    (#   1311:20  Single Ambig)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 431, 432, 431, 432,
 igr2= 453, 454,
 &end
#
#   31 ALA  MB           28 GLU  HB-         6.00    (#   1312:20  Unique         4.05, 5.71 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 514, 515, 516,
 igr2= 453, 454,
 &end
#
#   31 ALA  MB           28 GLU  HB+         6.00    (#   1313:20  Unique         4.05, 5.71 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 514, 515, 516,
 igr2= 453, 454,
 &end
#
#   25 THR  MG2          28 GLU  HB+         6.00    (#   1314:20  Unique         3.50, 5.17 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 453, 454,
 &end
#
#   25 THR  MG2          28 GLU  HB-         6.00    (#   1315:20  Unique         3.50, 5.17 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 453, 454,
 &end
#
#   29 TRP  HN           28 GLU  HG+         3.50    (#   1316:20  Unique         4.59, 4.87 A)
 &rst
  ixpk= 1316, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 456, 457,
 &end
#
#   30 LYS  HN           28 GLU  HG+         6.00    (#   1317:20  Unique         6.23, 6.69 A)
 &rst
  ixpk= 1317, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   29 TRP  HN           28 GLU  HG-         3.50    (#   1318:20  Unique         4.59, 4.87 A)
 &rst
  ixpk= 1318, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 456, 457,
 &end
#
#   30 LYS  HN           28 GLU  HG-         6.00    (#   1319:20  Unique         6.23, 6.69 A)
 &rst
  ixpk= 1319, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   27 LYS  HN           28 GLU  HG+         6.00    (#   1321:20  Unique         4.77, 5.46 A)
 &rst
  ixpk= 1321, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   27 LYS  HN           28 GLU  HG-         6.00    (#   1322:20  Unique         4.77, 5.46 A)
 &rst
  ixpk= 1322, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   32 LYS  HN           28 GLU  HG+         6.00    (#   1323:20  Unique         5.51, 6.39 A)
 &rst
  ixpk= 1323, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   28 GLU  HN           28 GLU  HG-         2.60    (#   1324:20  Unique         2.54, 3.15 A)
 &rst
  ixpk= 1324, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 456, 457,
 &end
#
#   32 LYS  HN           28 GLU  HG-         6.00    (#   1325:20  Unique         5.51, 6.39 A)
 &rst
  ixpk= 1325, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   29 TRP  HD1          28 GLU  HG+         6.00    (#   1326:20  Unique         5.40, 5.66 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   28 GLU  HN           28 GLU  HG+         2.60    (#   1327:20  Unique         2.54, 3.15 A)
 &rst
  ixpk= 1327, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 456, 457,
 &end
#
#   29 TRP  HD1          28 GLU  HG-         6.00    (#   1328:20  Unique         5.40, 5.66 A)
 &rst
  ixpk= 1328, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457,
 &end
#
#   28 GLU  HA           28 GLU  HG+         2.80    (#   1329:20  Unique         2.38, 3.02 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 456, 457,
 &end
#
#   28 GLU  HA           28 GLU  HG-         2.80    (#   1330:20  Unique         2.38, 3.02 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:1332    28 GLU  HG-         3.50    (#   1332:20  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 396, 429,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:1333     0 AMB  20-1:1333   3.50    (#   1333:20  Double Ambig)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 396, 429,
 igr2= 456, 457, 456, 457,
 &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   6.00    (#   1334:20  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 398, 468, 469,
 igr2= 456, 457, 456, 457,
 &end
#
#   28 GLU  HB+          28 GLU  HG+         2.20    (#   1335:20  Unique         2.35, 2.68 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 453, 454,
 igr2= 456, 457,
 &end
#
#   28 GLU  HB+          28 GLU  HG-         2.20    (#   1336:20  Unique         2.35, 2.68 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 453, 454,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:1337     0 AMB  20-1:1337   6.00    (#   1337:20  Double Ambig)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 431, 432, 431, 432,
 igr2= 456, 457, 456, 457,
 &end
#
#    0 AMB  20-2:1339     0 AMB  20-1:1339   6.00    (#   1339:20  Double Ambig)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 376, 377,
 igr2= 456, 457,
 &end
#
#   24 LYS  HG-          28 GLU  HG+         6.00    (#   1340:20  Unique         2.85, 4.65 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 379, 380,
 igr2= 456, 457,
 &end
#
#    0 AMB  20-2:1341     0 AMB  20-1:1341   6.00    (#   1341:20  Double Ambig)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 379, 380, 434, 435,
 igr2= 456, 457, 456, 457,
 &end
#
#   31 ALA  MB           28 GLU  HG+         6.00    (#   1342:20  Unique         4.41, 5.91 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 514, 515, 516,
 igr2= 456, 457,
 &end
#
#   31 ALA  MB           28 GLU  HG-         6.00    (#   1343:20  Unique         4.41, 5.91 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 514, 515, 516,
 igr2= 456, 457,
 &end
#
#   25 THR  MG2          28 GLU  HG+         6.00    (#   1344:20  Unique         4.80, 6.43 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 456, 457,
 &end
#
#   25 THR  MG2          28 GLU  HG-         6.00    (#   1345:20  Unique         4.80, 6.43 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402,
 igr2= 456, 457,
 &end
#
#   29 TRP  HN           29 TRP  HA          6.00    (#   1347:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 1347, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 TRP  HE3          29 TRP  HA          6.00    (#   1349:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 1349, nxpk= 20, iat= 561, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HD1          29 TRP  HA          6.00    (#   1350:20  Unique         2.59, 2.66 A)
 &rst
  ixpk= 1350, nxpk= 20, iat= 472, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 TRP  HZ3          29 TRP  HA          6.00    (#   1351:20  Unique         2.21, 2.28 A)
 &rst
  ixpk= 1351, nxpk= 20, iat= 559, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HB+          29 TRP  HA          6.00    (#   1352:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 468, 469,
 &end
#
#   29 TRP  HB-          29 TRP  HA          6.00    (#   1353:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 468, 469,
 &end
#
#   29 TRP  HN           29 TRP  HB+         3.50    (#   1354:20  Unique         2.46, 3.05 A)
 &rst
  ixpk= 1354, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 468, 469,
 &end
#
#   29 TRP  HN           29 TRP  HB-         6.00    (#   1355:20  Unique         2.46, 3.05 A)
 &rst
  ixpk= 1355, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 468, 469,
 &end
#
#   30 LYS  HN           29 TRP  HB+         6.00    (#   1356:20  Unique         2.52, 3.11 A)
 &rst
  ixpk= 1356, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 468, 469,
 &end
#
#   30 LYS  HN           29 TRP  HB-         6.00    (#   1357:20  Unique         2.52, 3.11 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 468, 469,
 &end
#
#   41 TRP  HE3          29 TRP  HB-         6.00    (#   1358:20  Unique         3.62, 4.45 A)
 &rst
  ixpk= 1358, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 468, 469,
 &end
#
#   41 TRP  HE3          29 TRP  HB+         6.00    (#   1359:20  Unique         3.62, 4.45 A)
 &rst
  ixpk= 1359, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 468, 469,
 &end
#
#   29 TRP  HA           29 TRP  HB+         6.00    (#   1360:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1360, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 468, 469,
 &end
#
#   29 TRP  HA           29 TRP  HB-         6.00    (#   1361:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1361, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 468, 469,
 &end
#
#   26 LEU  MDY          29 TRP  HB+         6.00    (#   1362:20  Unique         2.82, 5.84 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 468, 469,
 &end
#
#   26 LEU  MDY          29 TRP  HB-         6.00    (#   1363:20  Unique         2.82, 5.84 A)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 468, 469,
 &end
#
#   38 VAL  MGX          29 TRP  HB+         3.50    (#   1364:20  Unique         2.21, 4.07 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 468, 469,
 &end
#
#   38 VAL  MGX          29 TRP  HB-         3.50    (#   1365:20  Unique         2.21, 4.07 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 468, 469,
 &end
#
#   38 VAL  MGY          29 TRP  HB+         3.50    (#   1366:20  Unique         2.21, 4.07 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 468, 469,
 &end
#
#   38 VAL  MGY          29 TRP  HB-         3.50    (#   1367:20  Unique         2.21, 4.07 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 468, 469,
 &end
#
#   30 LYS  HN           30 LYS  HA          3.50    (#   1368:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1368, nxpk= 20, iat= 488, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HN           30 LYS  HA          6.00    (#   1369:20  Unique         3.91, 3.98 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 542, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HN           30 LYS  HA          6.00    (#   1370:20  Unique         3.52, 3.54 A)
 &rst
  ixpk= 1370, nxpk= 20, iat= 510, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HN           30 LYS  HA          3.50    (#   1371:20  Unique         2.73, 2.79 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 566, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 VAL  HN           30 LYS  HA          6.00    (#   1372:20  Unique         4.24, 4.32 A)
 &rst
  ixpk= 1372, nxpk= 20, iat= 612, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 PRO  HA           30 LYS  HA          3.50    (#   1373:20  Unique         3.19, 3.44 A)
 &rst
  ixpk= 1373, nxpk= 20, iat= 583, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HE+          30 LYS  HA          6.00    (#   1374:20  Unique         4.38, 4.64 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   30 LYS  HE-          30 LYS  HA          6.00    (#   1375:20  Unique         4.38, 4.64 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#    0 AMB  20-2:1376    30 LYS  HA          6.00    (#   1376:20  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 580, 581, 594, 595,
 &end
#
#   30 LYS  HG+          30 LYS  HA          2.60    (#   1377:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 495, 496,
 &end
#
#   30 LYS  HB+          30 LYS  HA          2.60    (#   1378:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   30 LYS  HB-          30 LYS  HA          2.60    (#   1379:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   30 LYS  HD-          30 LYS  HA          6.00    (#   1380:20  Unique         4.29, 4.67 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 498, 499,
 &end
#
#   31 ALA  MB           30 LYS  HA          6.00    (#   1381:20  Unique         5.75, 6.08 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#   30 LYS  HG-          30 LYS  HA          3.50    (#   1382:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          30 LYS  HA          3.50    (#   1383:20  Unique         2.65, 3.65 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          30 LYS  HA          2.60    (#   1384:20  Unique         2.65, 3.65 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HN           30 LYS  HB-         3.50    (#   1385:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1385, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
#   30 LYS  HN           30 LYS  HB+         3.50    (#   1386:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1386, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
#   31 ALA  HN           30 LYS  HB+         6.00    (#   1387:20  Unique         2.71, 3.40 A)
 &rst
  ixpk= 1387, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 492, 493,
 &end
#
#   31 ALA  HN           30 LYS  HB-         6.00    (#   1388:20  Unique         2.71, 3.40 A)
 &rst
  ixpk= 1388, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:1389    30 LYS  HB-         3.50    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 490, 468, 469,
 igr2= 492, 493,
 &end
#
#   30 LYS  HA           30 LYS  HB+         3.50    (#   1390:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1390, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
#   30 LYS  HE-          30 LYS  HB-         6.00    (#   1391:20  Unique         2.22, 3.50 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 492, 493,
 &end
#
#   30 LYS  HG-          30 LYS  HB-         3.50    (#   1392:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 495, 496,
 igr2= 492, 493,
 &end
#
#   30 LYS  HG-          30 LYS  HB+         6.00    (#   1393:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 492, 493,
 &end
#
#   38 VAL  MGX          30 LYS  HB+         6.00    (#   1394:20  Unique         2.38, 4.76 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 492, 493,
 &end
#
#   38 VAL  MGX          30 LYS  HB-         6.00    (#   1395:20  Unique         2.38, 4.76 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 492, 493,
 &end
#
#   30 LYS  HN           30 LYS  HG-         6.00    (#   1396:20  Unique         2.53, 4.13 A)
 &rst
  ixpk= 1396, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   30 LYS  HN           30 LYS  HG+         6.00    (#   1397:20  Unique         2.53, 4.13 A)
 &rst
  ixpk= 1397, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   31 ALA  HN           30 LYS  HG+         6.00    (#   1398:20  Unique         4.15, 4.62 A)
 &rst
  ixpk= 1398, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   35 PRO  HA           30 LYS  HG-         6.00    (#   1399:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 1399, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   35 PRO  HA           30 LYS  HG+         2.60    (#   1400:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 1400, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 495, 496,
 &end
#
#   30 LYS  HA           30 LYS  HG+         6.00    (#   1401:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 1401, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   30 LYS  HA           30 LYS  HG-         6.00    (#   1402:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 1402, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE+          30 LYS  HG+         6.00    (#   1403:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE-          30 LYS  HG+         6.00    (#   1404:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE-          30 LYS  HG-         6.00    (#   1405:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   30 LYS  HE+          30 LYS  HG-         6.00    (#   1406:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 495, 496,
 &end
#
#   35 PRO  HB+          30 LYS  HG-         6.00    (#   1407:20  Unique         2.23, 3.70 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 580, 581,
 igr2= 495, 496,
 &end
#
#   30 LYS  HB+          30 LYS  HG-         3.50    (#   1409:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 492, 493,
 igr2= 495, 496,
 &end
#
#   30 LYS  HD-          30 LYS  HG-         3.50    (#   1410:20  Unique         2.33, 2.64 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499,
 igr2= 495, 496,
 &end
#
#    0 AMB  20-2:1411    30 LYS  HG-         3.50    (#   1411:20  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 498, 499, 492, 493,
 igr2= 495, 496,
 &end
#
#   30 LYS  HD-          30 LYS  HG+         2.60    (#   1412:20  Unique         2.33, 2.64 A)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 498, 499,
 igr2= 495, 496,
 &end
#
#   38 VAL  MGY          30 LYS  HG+         6.00    (#   1414:20  Unique         2.39, 4.61 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 495, 496,
 &end
#
#   38 VAL  MGY          30 LYS  HG-         3.50    (#   1415:20  Unique         2.39, 4.61 A)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 495, 496,
 &end
#
#   38 VAL  MGX          30 LYS  HG+         6.00    (#   1417:20  Unique         2.39, 4.61 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 495, 496,
 &end
#
#   30 LYS  HA           30 LYS  HD+         6.00    (#   1419:20  Unique         4.29, 4.67 A)
 &rst
  ixpk= 1419, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 498, 499,
 &end
#
#   30 LYS  HA           30 LYS  HD-         6.00    (#   1420:20  Unique         4.29, 4.67 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 498, 499,
 &end
#
#   30 LYS  HE-          30 LYS  HD+         3.50    (#   1421:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 501, 502,
 igr2= 498, 499,
 &end
#
#   26 LEU  MDY          30 LYS  HD+         6.00    (#   1422:20  Unique         4.15, 6.94 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 498, 499,
 &end
#
#   27 LYS  HG-          27 LYS  HD+         2.20    (#   1424:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 434, 435,
 igr2= 437, 438,
 &end
#
#    0 AMB  20-2:1425     0 AMB  20-1:1425   3.50    (#   1425:20  Double Ambig)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 580, 581,
 igr2= 498, 499,
 &end
#
#   35 PRO  HB+          30 LYS  HD-         3.50    (#   1426:20  Unique         2.24, 3.92 A)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 580, 581,
 igr2= 498, 499,
 &end
#
#   30 LYS  HN           30 LYS  HE+         6.00    (#   1427:20  Unique         4.48, 5.06 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#   30 LYS  HN           30 LYS  HE-         6.00    (#   1428:20  Unique         4.48, 5.06 A)
 &rst
  ixpk= 1428, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#   35 PRO  HA           30 LYS  HE+         3.50    (#   1429:20  Unique         2.46, 3.37 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 501, 502,
 &end
#
#   35 PRO  HA           30 LYS  HE-         6.00    (#   1430:20  Unique         2.46, 3.37 A)
 &rst
  ixpk= 1430, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:1431    30 LYS  HE-         6.00    (#   1431:20  Single Ambig)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 468, 469,
 igr2= 501, 502,
 &end
#
#   27 LYS  HA           30 LYS  HE-         6.00    (#   1432:20  Unique         3.99, 4.90 A)
 &rst
  ixpk= 1432, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#   30 LYS  HB+          30 LYS  HE-         3.50    (#   1433:20  Unique         2.22, 3.50 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 492, 493,
 igr2= 501, 502,
 &end
#
#   30 LYS  HG+          30 LYS  HE-         3.50    (#   1434:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 495, 496,
 igr2= 501, 502,
 &end
#
#   30 LYS  HD+          30 LYS  HE-         2.60    (#   1435:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 498, 499,
 igr2= 501, 502,
 &end
#
#   30 LYS  HD-          30 LYS  HE-         2.60    (#   1436:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 498, 499,
 igr2= 501, 502,
 &end
#
#   26 LEU  HG           30 LYS  HE-         3.50    (#   1437:20  Unique         2.62, 4.20 A)
 &rst
  ixpk= 1437, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 501, 502,
 &end
#
#   30 LYS  HG-          30 LYS  HE-         3.50    (#   1438:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 495, 496,
 igr2= 501, 502,
 &end
#
#   38 VAL  MGY          30 LYS  HE-         3.50    (#   1439:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 501, 502,
 &end
#
#   38 VAL  MGX          30 LYS  HE-         6.00    (#   1440:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDX          30 LYS  HE-         3.50    (#   1441:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   38 VAL  MGX          30 LYS  HE+         6.00    (#   1442:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDX          30 LYS  HE+         6.00    (#   1443:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDY          30 LYS  HE+         6.00    (#   1444:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   26 LEU  MDY          30 LYS  HE-         3.50    (#   1445:20  Unique         2.42, 4.97 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 501, 502,
 &end
#
#   30 LYS  HG-          30 LYS  HE+         3.50    (#   1446:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 495, 496,
 igr2= 501, 502,
 &end
#
#   26 LEU  HG           30 LYS  HE+         6.00    (#   1447:20  Unique         2.62, 4.20 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#   38 VAL  MGY          30 LYS  HE+         2.60    (#   1448:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 501, 502,
 &end
#
#   39 GLU  HN           30 LYS  HE+         6.00    (#   1449:20  Unique         5.17, 5.80 A)
 &rst
  ixpk= 1449, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#   39 GLU  HN           30 LYS  HE-         6.00    (#   1450:20  Unique         5.17, 5.80 A)
 &rst
  ixpk= 1450, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 501, 502,
 &end
#
#   30 LYS  HN           31 ALA  HA          6.00    (#   1451:20  Unique         5.33, 5.36 A)
 &rst
  ixpk= 1451, nxpk= 20, iat= 488, 512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 TRP  HN           31 ALA  HA          6.00    (#   1452:20  Unique         4.61, 4.70 A)
 &rst
  ixpk= 1452, nxpk= 20, iat= 542, 512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HN           31 ALA  HA          3.50    (#   1453:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 1453, nxpk= 20, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1454    31 ALA  HA          3.50    (#   1454:20  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 520, 566,
 &end
#
#   30 LYS  HB+          31 ALA  HA          6.00    (#   1457:20  Unique         4.25, 5.04 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 492, 493,
 &end
#
#   30 LYS  HD-          31 ALA  HA          6.00    (#   1458:20  Unique         5.96, 6.37 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 498, 499,
 &end
#
#    0 AMB  20-2:1459    31 ALA  HA          6.00    (#   1459:20  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 492, 493,
 &end
#
#   31 ALA  MB           31 ALA  HA          2.20    (#   1460:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1462    31 ALA  HA          6.00    (#   1462:20  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 498, 499,
 &end
#
#    0 AMB  20-2:1463    31 ALA  HA          6.00    (#   1463:20  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496, 524, 525,
 &end
#
#    0 AMB  20-2:1464    31 ALA  HA          6.00    (#   1464:20  Single Ambig)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496, 431, 432,
 &end
#
#   29 TRP  HN           31 ALA  MB          6.00    (#   1466:20  Unique         5.00, 5.88 A)
 &rst
  ixpk= 1466, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 514, 515, 516,
 &end
#
#   30 LYS  HN           31 ALA  MB          6.00    (#   1467:20  Unique         4.81, 5.38 A)
 &rst
  ixpk= 1467, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 514, 515, 516,
 &end
#
#   33 TRP  HN           31 ALA  MB          6.00    (#   1468:20  Unique         4.90, 5.53 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 514, 515, 516,
 &end
#
#   33 TRP  HE3          31 ALA  MB          6.00    (#   1471:20  Unique         6.28, 7.19 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 514, 515, 516,
 &end
#
#   31 ALA  HN           31 ALA  MB          2.20    (#   1472:20  Unique         2.39, 2.86 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 514, 515, 516,
 &end
#
#   32 LYS  HN           31 ALA  MB          2.60    (#   1474:20  Unique         2.14, 3.04 A)
 &rst
  ixpk= 1474, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 514, 515, 516,
 &end
#
#   28 GLU  HN           31 ALA  MB          6.00    (#   1475:20  Unique         5.05, 5.70 A)
 &rst
  ixpk= 1475, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 514, 515, 516,
 &end
#
#   29 TRP  HA           31 ALA  MB          6.00    (#   1477:20  Unique         4.91, 5.93 A)
 &rst
  ixpk= 1477, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1478    31 ALA  MB          6.00    (#   1478:20  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 490, 468, 469,
 igr2= 514, 515, 516,
 &end
#
#   32 LYS  HA           31 ALA  MB          3.50    (#   1480:20  Unique         3.87, 4.53 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1481    31 ALA  MB          2.20    (#   1481:20  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 512, 451,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1483    31 ALA  MB          6.00    (#   1483:20  Single Ambig)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 456, 457, 533, 534,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1484    31 ALA  MB          6.00    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 453, 454, 533, 534,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1485    31 ALA  MB          3.50    (#   1485:20  Single Ambig)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 453, 454, 456, 457,
 igr2= 514, 515, 516,
 &end
#
#   32 LYS  HG+          31 ALA  MB          6.00    (#   1486:20  Unique         2.83, 4.71 A)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 527, 528,
 igr2= 514, 515, 516,
 &end
#
#   32 LYS  HG-          31 ALA  MB          6.00    (#   1488:20  Unique         2.83, 4.71 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 527, 528,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1489    31 ALA  MB          6.00    (#   1489:20  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 524, 525, 495, 496,
 igr2= 514, 515, 516,
 &end
#
#   32 LYS  HD-          31 ALA  MB          6.00    (#   1491:20  Unique         4.82, 6.10 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 530, 531,
 igr2= 514, 515, 516,
 &end
#
#   33 TRP  HN           32 LYS  HA          3.50    (#   1496:20  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 542, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ALA  HN           32 LYS  HA          6.00    (#   1497:20  Unique         5.09, 5.13 A)
 &rst
  ixpk= 1497, nxpk= 20, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 LYS  HN           32 LYS  HA          2.60    (#   1498:20  Unique         2.69, 2.70 A)
 &rst
  ixpk= 1498, nxpk= 20, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:1499    32 LYS  HA          6.00    (#   1499:20  Single Ambig)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534, 453, 454,
 &end
#
#   31 ALA  MB           32 LYS  HA          3.50    (#   1500:20  Unique         3.87, 4.53 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 514, 515, 516,
 &end
#
#   32 LYS  HB+          32 LYS  HA          2.60    (#   1501:20  Unique         2.63, 2.83 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 524, 525,
 &end
#
#   32 LYS  HB-          32 LYS  HA          2.60    (#   1502:20  Unique         2.63, 2.83 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 524, 525,
 &end
#
#   32 LYS  HD+          32 LYS  HA          6.00    (#   1503:20  Unique         4.17, 4.61 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 530, 531,
 &end
#
#   32 LYS  HD-          32 LYS  HA          6.00    (#   1505:20  Unique         4.17, 4.61 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 530, 531,
 &end
#
#   32 LYS  HG+          32 LYS  HA          2.60    (#   1506:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 527, 528,
 &end
#
#   32 LYS  HG-          32 LYS  HA          3.50    (#   1507:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 527, 528,
 &end
#
#   33 TRP  HN           32 LYS  HB+         6.00    (#   1509:20  Unique         2.87, 3.25 A)
 &rst
  ixpk= 1509, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   33 TRP  HN           32 LYS  HB-         6.00    (#   1510:20  Unique         2.87, 3.25 A)
 &rst
  ixpk= 1510, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   32 LYS  HN           32 LYS  HB+         2.60    (#   1511:20  Unique         2.27, 2.92 A)
 &rst
  ixpk= 1511, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 524, 525,
 &end
#
#   32 LYS  HN           32 LYS  HB-         3.50    (#   1512:20  Unique         2.27, 2.92 A)
 &rst
  ixpk= 1512, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   29 TRP  HA           32 LYS  HB+         6.00    (#   1513:20  Unique         2.31, 3.21 A)
 &rst
  ixpk= 1513, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   32 LYS  HA           32 LYS  HB+         2.60    (#   1514:20  Unique         2.63, 2.83 A)
 &rst
  ixpk= 1514, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 524, 525,
 &end
#
#   32 LYS  HA           32 LYS  HB-         3.50    (#   1515:20  Unique         2.63, 2.83 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG+          32 LYS  HB-         3.50    (#   1516:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG+          32 LYS  HB+         3.50    (#   1517:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   32 LYS  HD+          32 LYS  HB-         6.00    (#   1519:20  Unique         2.42, 3.28 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 530, 531,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG-          32 LYS  HB+         3.50    (#   1520:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   32 LYS  HG-          32 LYS  HB-         6.00    (#   1521:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   33 TRP  HN           32 LYS  HG+         6.00    (#   1522:20  Unique         4.74, 4.98 A)
 &rst
  ixpk= 1522, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 527, 528,
 &end
#
#   32 LYS  HN           32 LYS  HG+         3.50    (#   1523:20  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1523, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 527, 528,
 &end
#
#   32 LYS  HN           32 LYS  HG-         6.00    (#   1524:20  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1524, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 527, 528,
 &end
#
#   32 LYS  HA           32 LYS  HG+         2.60    (#   1527:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 1527, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 527, 528,
 &end
#
#   32 LYS  HA           32 LYS  HG-         3.50    (#   1528:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 527, 528,
 &end
#
#   32 LYS  HE+          32 LYS  HG+         3.50    (#   1529:20  Unique         2.56, 3.63 A)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 533, 534,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:1530     0 AMB  20-1:1530   3.50    (#   1530:20  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 533, 534, 453, 454,
 igr2= 527, 528, 527, 528,
 &end
#
#    0 AMB  20-2:1531    32 LYS  HG-         3.50    (#   1531:20  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 533, 534, 453, 454,
 igr2= 527, 528,
 &end
#
#   32 LYS  HE+          32 LYS  HG-         3.50    (#   1532:20  Unique         2.56, 3.63 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 533, 534,
 igr2= 527, 528,
 &end
#
#   31 ALA  MB           32 LYS  HG+         3.50    (#   1533:20  Unique         2.83, 4.71 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 514, 515, 516,
 igr2= 527, 528,
 &end
#
#   31 ALA  MB           32 LYS  HG-         6.00    (#   1534:20  Unique         2.83, 4.71 A)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 514, 515, 516,
 igr2= 527, 528,
 &end
#
#   32 LYS  HB+          32 LYS  HG-         3.50    (#   1535:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#   32 LYS  HD+          32 LYS  HG-         2.60    (#   1536:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   32 LYS  HB-          32 LYS  HG-         2.60    (#   1537:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#   32 LYS  HD+          32 LYS  HG+         2.60    (#   1538:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   32 LYS  HB-          32 LYS  HG+         2.60    (#   1539:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#   32 LYS  HD-          32 LYS  HG+         2.20    (#   1542:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   32 LYS  HB+          32 LYS  HG+         2.60    (#   1543:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#   32 LYS  HN           32 LYS  HD+         6.00    (#   1544:20  Unique         3.82, 4.28 A)
 &rst
  ixpk= 1544, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 530, 531,
 &end
#
#   32 LYS  HA           32 LYS  HD+         6.00    (#   1545:20  Unique         4.17, 4.61 A)
 &rst
  ixpk= 1545, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 530, 531,
 &end
#
#   32 LYS  HE+          32 LYS  HD+         3.50    (#   1546:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 533, 534,
 igr2= 530, 531,
 &end
#
#    0 AMB  20-2:1547     0 AMB  20-1:1547   3.50    (#   1547:20  Double Ambig)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 533, 534, 453, 454,
 igr2= 530, 531, 530, 531,
 &end
#
#   32 LYS  HB+          32 LYS  HD+         3.50    (#   1548:20  Unique         2.42, 3.28 A)
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 525,
 igr2= 530, 531,
 &end
#
#   31 ALA  MB           32 LYS  HD-         6.00    (#   1549:20  Unique         4.82, 6.10 A)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 514, 515, 516,
 igr2= 530, 531,
 &end
#
#   32 LYS  HG+          32 LYS  HD+         2.60    (#   1550:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   32 LYS  HG-          32 LYS  HD+         3.50    (#   1551:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   32 LYS  HG+          32 LYS  HD-         6.00    (#   1552:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   32 LYS  HN           32 LYS  HE+         6.00    (#   1553:20  Unique         3.80, 5.39 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   32 LYS  HN           32 LYS  HE-         6.00    (#   1554:20  Unique         3.80, 5.39 A)
 &rst
  ixpk= 1554, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   33 TRP  HZ2          32 LYS  HE+         6.00    (#   1555:20  Unique         3.19, 3.75 A)
 &rst
  ixpk= 1555, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   33 TRP  HZ2          32 LYS  HE-         6.00    (#   1556:20  Unique         3.19, 3.75 A)
 &rst
  ixpk= 1556, nxpk= 20, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   33 TRP  HH2          32 LYS  HE-         6.00    (#   1557:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1557, nxpk= 20, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   33 TRP  HZ3          32 LYS  HE+         6.00    (#   1558:20  Unique         2.48, 3.50 A)
 &rst
  ixpk= 1558, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   33 TRP  HH2          32 LYS  HE+         6.00    (#   1559:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1559, nxpk= 20, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   32 LYS  HA           32 LYS  HE+         6.00    (#   1562:20  Unique         4.36, 5.10 A)
 &rst
  ixpk= 1562, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   32 LYS  HA           32 LYS  HE-         6.00    (#   1563:20  Unique         4.36, 5.10 A)
 &rst
  ixpk= 1563, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   32 LYS  HB+          32 LYS  HE-         6.00    (#   1564:20  Unique         2.14, 3.24 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 524, 525,
 igr2= 533, 534,
 &end
#
#   32 LYS  HB+          32 LYS  HE+         6.00    (#   1565:20  Unique         2.14, 3.24 A)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 524, 525,
 igr2= 533, 534,
 &end
#
#   12 THR  MG2          32 LYS  HE+         3.50    (#   1566:20  Unique         3.92, 5.00 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 210, 211, 212,
 igr2= 533, 534,
 &end
#
#   32 LYS  HD+          32 LYS  HE+         2.60    (#   1568:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
#   32 LYS  HD+          32 LYS  HE-         2.60    (#   1569:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
#   32 LYS  HD-          32 LYS  HE+         3.50    (#   1570:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
#   32 LYS  HB-          32 LYS  HE-         3.50    (#   1572:20  Unique         2.14, 3.24 A)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 525,
 igr2= 533, 534,
 &end
#
#   32 LYS  HD-          32 LYS  HE-         3.50    (#   1573:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
#   32 LYS  HG+          32 LYS  HE+         3.50    (#   1574:20  Unique         2.56, 3.63 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   32 LYS  HG+          32 LYS  HE-         2.60    (#   1575:20  Unique         2.56, 3.63 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   32 LYS  HG-          32 LYS  HE+         3.50    (#   1576:20  Unique         2.56, 3.63 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   32 LYS  HG-          32 LYS  HE-         3.50    (#   1577:20  Unique         2.56, 3.63 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 533, 534,
 &end
#
#   33 TRP  HN           33 TRP  HB+         3.50    (#   1581:20  Unique         2.65, 3.25 A)
 &rst
  ixpk= 1581, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   33 TRP  HN           33 TRP  HB-         3.50    (#   1582:20  Unique         2.65, 3.25 A)
 &rst
  ixpk= 1582, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   33 TRP  HE3          33 TRP  HB+         6.00    (#   1583:20  Unique         2.55, 3.33 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   34 GLY  HN           33 TRP  HB+         6.00    (#   1585:20  Unique         2.34, 2.98 A)
 &rst
  ixpk= 1585, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   33 TRP  HD1          33 TRP  HB+         6.00    (#   1586:20  Unique         2.69, 3.27 A)
 &rst
  ixpk= 1586, nxpk= 20, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   33 TRP  HD1          33 TRP  HB-         6.00    (#   1587:20  Unique         2.69, 3.27 A)
 &rst
  ixpk= 1587, nxpk= 20, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   34 GLY  HN           33 TRP  HB-         6.00    (#   1588:20  Unique         2.34, 2.98 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   41 TRP  HZ2          33 TRP  HB-         6.00    (#   1590:20  Unique         3.50, 3.92 A)
 &rst
  ixpk= 1590, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   41 TRP  HH2          33 TRP  HB+         6.00    (#   1591:20  Unique         2.36, 2.82 A)
 &rst
  ixpk= 1591, nxpk= 20, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   47 HIS  HA           47 HIS  HB-         2.20    (#   1593:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 1593, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 751, 752,
 &end
#
#    0 AMB  20-2:1594     0 AMB  20-1:1594   6.00    (#   1594:20  Double Ambig)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 742, 743, 742, 743, 604,
 igr2= 751, 752, 546, 547,
 &end
#
#   37 ALA  MB           33 TRP  HB+         3.50    (#   1595:20  Unique         3.13, 3.60 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 606, 607, 608,
 igr2= 546, 547,
 &end
#
#   37 ALA  MB           33 TRP  HB-         6.00    (#   1596:20  Unique         3.13, 3.60 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 606, 607, 608,
 igr2= 546, 547,
 &end
#
#   38 VAL  MGX          33 TRP  HB+         3.50    (#   1597:20  Unique         3.58, 6.21 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 546, 547,
 &end
#
#   38 VAL  MGX          33 TRP  HB-         3.50    (#   1598:20  Unique         3.58, 6.21 A)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 546, 547,
 &end
#
#   33 TRP  HN           34 GLY  HA-         6.00    (#   1600:20  Unique         4.17, 4.54 A)
 &rst
  ixpk= 1600, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 568, 569,
 &end
#
#   36 GLU  HN           34 GLY  HA-         6.00    (#   1601:20  Unique         3.44, 3.94 A)
 &rst
  ixpk= 1601, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 568, 569,
 &end
#
#   37 ALA  HN           34 GLY  HA-         6.00    (#   1602:20  Unique         3.44, 4.13 A)
 &rst
  ixpk= 1602, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 568, 569,
 &end
#
#   34 GLY  HN           34 GLY  HA-         2.60    (#   1603:20  Unique         2.62, 2.82 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 568, 569,
 &end
#
#   34 GLY  HN           34 GLY  HA+         3.50    (#   1604:20  Unique         2.62, 2.82 A)
 &rst
  ixpk= 1604, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 568, 569,
 &end
#
#   35 PRO  HD+          34 GLY  HA+         6.00    (#   1606:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 574, 575,
 igr2= 568, 569,
 &end
#
#   35 PRO  HD-          34 GLY  HA+         6.00    (#   1607:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 574, 575,
 igr2= 568, 569,
 &end
#
#   35 PRO  HD-          34 GLY  HA-         2.60    (#   1608:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 568, 569,
 &end
#
#   35 PRO  HD+          34 GLY  HA-         2.60    (#   1609:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 568, 569,
 &end
#
#    0 AMB  20-2:1610    34 GLY  HA-         6.00    (#   1610:20  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 594, 595, 594, 595, 580, 581,
 igr2= 568, 569,
 &end
#
#   35 PRO  HG+          34 GLY  HA-         6.00    (#   1611:20  Unique         4.51, 4.77 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 577, 578,
 igr2= 568, 569,
 &end
#
#    0 AMB  20-2:1612    34 GLY  HA-         3.50    (#   1612:20  Single Ambig)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 591, 592, 577, 578,
 igr2= 568, 569,
 &end
#
#    0 AMB  20-2:1613     0 AMB  20-1:1613   6.00    (#   1613:20  Double Ambig)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 591, 592, 577, 578,
 igr2= 568, 569, 568, 569,
 &end
#
#   30 LYS  HN           35 PRO  HA          6.00    (#   1614:20  Unique         5.09, 5.57 A)
 &rst
  ixpk= 1614, nxpk= 20, iat= 488, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLU  HN           35 PRO  HA          6.00    (#   1615:20  Unique         3.49, 3.51 A)
 &rst
  ixpk= 1615, nxpk= 20, iat= 587, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  HN           35 PRO  HA          6.00    (#   1616:20  Unique         3.94, 4.14 A)
 &rst
  ixpk= 1616, nxpk= 20, iat= 602, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLU  HN           35 PRO  HA          6.00    (#   1617:20  Unique         3.73, 3.91 A)
 &rst
  ixpk= 1617, nxpk= 20, iat= 628, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1618    35 PRO  HA          6.00    (#   1618:20  Single Ambig)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 643,
 &end
#
#   38 VAL  HN           35 PRO  HA          6.00    (#   1619:20  Unique         3.20, 3.66 A)
 &rst
  ixpk= 1619, nxpk= 20, iat= 612, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA-          35 PRO  HA          6.00    (#   1620:20  Unique         4.38, 4.63 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 569,
 &end
#
#   30 LYS  HA           35 PRO  HA          3.50    (#   1621:20  Unique         3.19, 3.44 A)
 &rst
  ixpk= 1621, nxpk= 20, iat= 490, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HE+          35 PRO  HA          6.00    (#   1622:20  Unique         2.46, 3.37 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   30 LYS  HE-          35 PRO  HA          6.00    (#   1623:20  Unique         2.46, 3.37 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   35 PRO  HB+          35 PRO  HA          2.60    (#   1624:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 580, 581,
 &end
#
#   35 PRO  HG+          35 PRO  HA          3.50    (#   1625:20  Unique         3.87, 3.94 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 577, 578,
 &end
#
#   35 PRO  HB-          35 PRO  HA          2.60    (#   1626:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 580, 581,
 &end
#
#   30 LYS  HG+          35 PRO  HA          3.50    (#   1627:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   38 VAL  HB           35 PRO  HA          6.00    (#   1628:20  Unique         4.57, 4.88 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 616, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HG-          35 PRO  HA          3.50    (#   1629:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          35 PRO  HA          6.00    (#   1630:20  Unique         2.08, 3.65 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          35 PRO  HA          3.50    (#   1631:20  Unique         2.08, 3.65 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1632    35 PRO  HA          3.50    (#   1632:20  Single Ambig)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499, 492, 493,
 &end
#
#   36 GLU  HN           35 PRO  HB+         3.50    (#   1633:20  Unique         3.25, 3.79 A)
 &rst
  ixpk= 1633, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 580, 581,
 &end
#
#   36 GLU  HN           35 PRO  HB-         3.50    (#   1634:20  Unique         3.25, 3.79 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 580, 581,
 &end
#
#   37 ALA  HN           35 PRO  HB-         6.00    (#   1635:20  Unique         5.17, 5.57 A)
 &rst
  ixpk= 1635, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 580, 581,
 &end
#
#   35 PRO  HD-          35 PRO  HB+         3.50    (#   1636:20  Unique         2.91, 3.71 A)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 574, 575,
 igr2= 580, 581,
 &end
#
#   35 PRO  HD-          35 PRO  HB-         3.50    (#   1637:20  Unique         2.91, 3.71 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 574, 575,
 igr2= 580, 581,
 &end
#
#   35 PRO  HA           35 PRO  HB-         2.60    (#   1638:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 580, 581,
 &end
#
#   35 PRO  HA           35 PRO  HB+         2.60    (#   1639:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 580, 581,
 &end
#
#   30 LYS  HE+          35 PRO  HB+         6.00    (#   1640:20  Unique         2.39, 3.93 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 580, 581,
 &end
#
#   30 LYS  HE+          35 PRO  HB-         6.00    (#   1641:20  Unique         2.39, 3.93 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 580, 581,
 &end
#
#   35 PRO  HG+          35 PRO  HB+         2.20    (#   1642:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 577, 578,
 igr2= 580, 581,
 &end
#
#   35 PRO  HG+          35 PRO  HB-         2.20    (#   1643:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 577, 578,
 igr2= 580, 581,
 &end
#
#    0 AMB  20-2:1644     0 AMB  20-1:1644   3.50    (#   1644:20  Double Ambig)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 498, 499, 492, 493,
 igr2= 580, 581, 580, 581,
 &end
#
#   30 LYS  HD-          35 PRO  HB+         3.50    (#   1645:20  Unique         2.24, 3.92 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499,
 igr2= 580, 581,
 &end
#
#   30 LYS  HD-          35 PRO  HB-         3.50    (#   1646:20  Unique         2.24, 3.92 A)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499,
 igr2= 580, 581,
 &end
#
#   30 LYS  HG-          35 PRO  HB+         6.00    (#   1647:20  Unique         2.23, 3.70 A)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 580, 581,
 &end
#
#   30 LYS  HG-          35 PRO  HB-         6.00    (#   1648:20  Unique         2.23, 3.70 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 580, 581,
 &end
#
#   38 VAL  MGX          35 PRO  HB+         6.00    (#   1649:20  Unique         3.73, 5.86 A)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 580, 581,
 &end
#
#   39 GLU  HG+          35 PRO  HB+         6.00    (#   1650:20  Unique         3.85, 5.13 A)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 635, 636,
 igr2= 580, 581,
 &end
#
#   39 GLU  HG+          35 PRO  HB-         6.00    (#   1651:20  Unique         3.85, 5.13 A)
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 635, 636,
 igr2= 580, 581,
 &end
#
#   36 GLU  HN           35 PRO  HG+         2.60    (#   1652:20  Unique         2.57, 3.37 A)
 &rst
  ixpk= 1652, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 577, 578,
 &end
#
#   36 GLU  HN           35 PRO  HG-         3.50    (#   1653:20  Unique         2.57, 3.37 A)
 &rst
  ixpk= 1653, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 577, 578,
 &end
#
#   37 ALA  HN           35 PRO  HG+         6.00    (#   1654:20  Unique         5.00, 5.68 A)
 &rst
  ixpk= 1654, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   34 GLY  HN           35 PRO  HG-         6.00    (#   1655:20  Unique         6.52, 6.71 A)
 &rst
  ixpk= 1655, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA+          35 PRO  HG+         6.00    (#   1656:20  Unique         4.51, 4.77 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA-          35 PRO  HG+         6.00    (#   1657:20  Unique         4.51, 4.77 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA-          35 PRO  HG-         6.00    (#   1658:20  Unique         4.51, 4.77 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   34 GLY  HA+          35 PRO  HG-         6.00    (#   1659:20  Unique         4.51, 4.77 A)
 &rst
  ixpk= 1659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD-          35 PRO  HG+         2.60    (#   1660:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD+          35 PRO  HG+         2.60    (#   1661:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#   35 PRO  HA           35 PRO  HG+         3.50    (#   1662:20  Unique         3.87, 3.94 A)
 &rst
  ixpk= 1662, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD-          35 PRO  HG-         2.60    (#   1663:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#   35 PRO  HD+          35 PRO  HG-         2.60    (#   1664:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 574, 575,
 igr2= 577, 578,
 &end
#
#    0 AMB  20-2:1665    35 PRO  HG-         3.50    (#   1665:20  Single Ambig)
 &rst
  ixpk= 1665, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 577, 578,
 &end
#
#    0 AMB  20-2:1666     0 AMB  20-1:1666   2.60    (#   1666:20  Double Ambig)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 580, 581, 594, 595, 594, 595,
 igr2= 577, 578, 577, 578, 577, 578,
 &end
#
#    0 AMB  20-2:1667    35 PRO  HG-         2.60    (#   1667:20  Single Ambig)
 &rst
  ixpk= 1667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 580, 581, 594, 595, 594, 595,
 igr2= 577, 578,
 &end
#
#    0 AMB  20-2:1668    35 PRO  HG-         3.50    (#   1668:20  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 498, 499, 492, 493,
 igr2= 577, 578,
 &end
#
#   30 LYS  HD-          35 PRO  HG-         3.50    (#   1669:20  Unique         3.28, 5.11 A)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 498, 499,
 igr2= 577, 578,
 &end
#
#    0 AMB  20-2:1670     0 AMB  20-1:1670   6.00    (#   1670:20  Double Ambig)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 498, 499, 492, 493,
 igr2= 577, 578, 577, 578,
 &end
#
#   30 LYS  HD-          35 PRO  HG+         6.00    (#   1671:20  Unique         3.28, 5.11 A)
 &rst
  ixpk= 1671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 498, 499,
 igr2= 577, 578,
 &end
#
#   30 LYS  HG-          35 PRO  HG-         6.00    (#   1672:20  Unique         3.87, 4.65 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 577, 578,
 &end
#
#   30 LYS  HG+          35 PRO  HG+         6.00    (#   1673:20  Unique         3.87, 4.65 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496,
 igr2= 577, 578,
 &end
#
#   36 GLU  HN           35 PRO  HD+         3.50    (#   1675:20  Unique         2.91, 3.52 A)
 &rst
  ixpk= 1675, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 574, 575,
 &end
#
#   36 GLU  HN           35 PRO  HD-         6.00    (#   1676:20  Unique         2.91, 3.52 A)
 &rst
  ixpk= 1676, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 574, 575,
 &end
#
#   34 GLY  HN           35 PRO  HD+         6.00    (#   1677:20  Unique)
 &rst
  ixpk= 1677, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 574, 575,
 &end
#
#   34 GLY  HN           35 PRO  HD-         4.30    (#   1678:20  Unique)
 &rst
  ixpk= 1678, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA+          35 PRO  HD+         2.60    (#   1679:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA+          35 PRO  HD-         2.60    (#   1680:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA-          35 PRO  HD+         2.60    (#   1681:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   34 GLY  HA-          35 PRO  HD-         2.60    (#   1682:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   31 ALA  HA           35 PRO  HD+         6.00    (#   1683:20  Unique         5.13, 5.85 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 574, 575,
 &end
#
#   31 ALA  HA           35 PRO  HD-         6.00    (#   1684:20  Unique         5.13, 5.85 A)
 &rst
  ixpk= 1684, nxpk= 20, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 574, 575,
 &end
#
#   35 PRO  HA           35 PRO  HD+         3.50    (#   1685:20  Unique         3.34, 3.75 A)
 &rst
  ixpk= 1685, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 574, 575,
 &end
#
#   35 PRO  HA           35 PRO  HD-         3.50    (#   1686:20  Unique         3.34, 3.75 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 574, 575,
 &end
#
#    0 AMB  20-2:1687     0 AMB  20-1:1687   3.50    (#   1687:20  Double Ambig)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 580, 581, 594, 595, 594, 595,
 igr2= 574, 575, 574, 575, 574, 575,
 &end
#
#    0 AMB  20-2:1688    35 PRO  HD-         3.50    (#   1688:20  Single Ambig)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 580, 581, 594, 595, 594, 595,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG+          35 PRO  HD-         2.60    (#   1689:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG+          35 PRO  HD+         2.60    (#   1690:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG-          35 PRO  HD+         2.60    (#   1691:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#   35 PRO  HG-          35 PRO  HD-         2.60    (#   1692:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578,
 igr2= 574, 575,
 &end
#
#   30 LYS  HB-          35 PRO  HD+         6.00    (#   1693:20  Unique         2.60, 5.53 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493,
 igr2= 574, 575,
 &end
#
#   30 LYS  HB-          35 PRO  HD-         6.00    (#   1694:20  Unique         2.60, 5.53 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 493,
 igr2= 574, 575,
 &end
#
#   36 GLU  HN           36 GLU  HA          3.50    (#   1695:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 587, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ALA  HN           36 GLU  HA          3.50    (#   1696:20  Unique         3.48, 3.50 A)
 &rst
  ixpk= 1696, nxpk= 20, iat= 602, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLU  HN           36 GLU  HA          6.00    (#   1697:20  Unique         3.92, 3.96 A)
 &rst
  ixpk= 1697, nxpk= 20, iat= 628, 589, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 VAL  HN           36 GLU  HA          6.00    (#   1698:20  Unique         4.96, 5.04 A)
 &rst
  ixpk= 1698, nxpk= 20, iat= 612, 589, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLU  HA           36 GLU  HA          6.00    (#   1699:20  Unique         6.03, 6.06 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 630, 589, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLU  HG+          36 GLU  HA          6.00    (#   1700:20  Unique         4.26, 5.22 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 635, 636,
 &end
#
#    0 AMB  20-2:1701    36 GLU  HA          2.60    (#   1701:20  Single Ambig)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 594, 595, 594, 595,
 &end
#
#   36 GLU  HB-          36 GLU  HA          2.20    (#   1702:20  Unique         2.32, 2.67 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:1703    36 GLU  HA          3.50    (#   1703:20  Single Ambig)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 591, 592, 632, 633,
 &end
#
#   39 GLU  HB+          36 GLU  HA          4.30    (#   1704:20  Unique         3.12, 4.00 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 632, 633,
 &end
#
#   37 ALA  MB           36 GLU  HA          6.00    (#   1705:20  Unique         5.62, 6.08 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   36 GLU  HN           36 GLU  HB+         2.60    (#   1706:20  Unique         2.70, 3.14 A)
 &rst
  ixpk= 1706, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   36 GLU  HN           36 GLU  HB-         2.60    (#   1707:20  Unique         2.70, 3.14 A)
 &rst
  ixpk= 1707, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   37 ALA  HN           36 GLU  HB+         2.60    (#   1708:20  Unique         2.53, 3.21 A)
 &rst
  ixpk= 1708, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   37 ALA  HN           36 GLU  HB-         2.60    (#   1709:20  Unique         2.53, 3.21 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 591, 592,
 &end
#
#   38 VAL  HN            0 AMB  20-1:1710   6.00    (#   1710:20  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 632, 633, 591, 592,
 &end
#
#   38 VAL  HN           36 GLU  HB-         6.00    (#   1711:20  Unique         5.07, 5.63 A)
 &rst
  ixpk= 1711, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 591, 592,
 &end
#
#    7 TYR  HE           39 GLU  HB-         6.00    (#   1712:20  Unique         4.34, 6.66 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2= 632, 633,
 &end
#
#   40 SER  HA            0 AMB  20-1:1713   6.00    (#   1713:20  Single Ambig)
 &rst
  ixpk= 1713, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 632, 633, 591, 592,
 &end
#
#    0 AMB  20-2:1714    36 GLU  HB-         6.00    (#   1714:20  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569,
 igr2= 591, 592,
 &end
#
#    0 AMB  20-2:1715     0 AMB  20-1:1715   3.50    (#   1715:20  Double Ambig)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 589, 604,
 igr2= 591, 592, 632, 633, 591, 592,
 &end
#
#   36 GLU  HA           36 GLU  HB-         2.20    (#   1716:20  Unique         2.32, 2.67 A)
 &rst
  ixpk= 1716, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 591, 592,
 &end
#
#    0 AMB  20-2:1717     0 AMB  20-1:1717   2.20    (#   1717:20  Double Ambig)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 594, 595, 594, 595,
 igr2= 591, 592, 591, 592,
 &end
#
#    0 AMB  20-2:1718    36 GLU  HB-         2.20    (#   1718:20  Single Ambig)
 &rst
  ixpk= 1718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 594, 595, 594, 595,
 igr2= 591, 592,
 &end
#
#   37 ALA  MB           36 GLU  HB+         3.50    (#   1719:20  Unique         3.78, 5.33 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 606, 607, 608,
 igr2= 591, 592,
 &end
#
#   37 ALA  MB           36 GLU  HB-         3.50    (#   1720:20  Unique         3.78, 5.33 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 606, 607, 608,
 igr2= 591, 592,
 &end
#
#   38 VAL  HB           39 GLU  HB-         6.00    (#   1721:20  Unique         5.96, 6.44 A)
 &rst
  ixpk= 1721, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 632, 633,
 &end
#
#   36 GLU  HN           36 GLU  HG+         3.50    (#   1722:20  Unique         1.82, 2.30 A)
 &rst
  ixpk= 1722, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 594, 595,
 &end
#
#   36 GLU  HN           36 GLU  HG-         2.60    (#   1723:20  Unique         1.82, 2.30 A)
 &rst
  ixpk= 1723, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 594, 595,
 &end
#
#   37 ALA  HN           36 GLU  HG+         3.50    (#   1724:20  Unique         3.70, 4.16 A)
 &rst
  ixpk= 1724, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 594, 595,
 &end
#
#   37 ALA  HN           36 GLU  HG-         3.50    (#   1725:20  Unique         3.70, 4.16 A)
 &rst
  ixpk= 1725, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 594, 595,
 &end
#
#   36 GLU  HA           36 GLU  HG+         2.60    (#   1726:20  Unique         2.69, 3.07 A)
 &rst
  ixpk= 1726, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 594, 595,
 &end
#
#   36 GLU  HA           36 GLU  HG-         2.60    (#   1727:20  Unique         2.69, 3.07 A)
 &rst
  ixpk= 1727, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 594, 595,
 &end
#
#   37 ALA  MB           36 GLU  HG+         6.00    (#   1728:20  Unique         5.33, 6.68 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 606, 607, 608,
 igr2= 594, 595,
 &end
#
#   37 ALA  MB           36 GLU  HG-         6.00    (#   1729:20  Unique)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 606, 607, 608,
 igr2= 594, 595,
 &end
#
#   41 TRP  HE1          37 ALA  HA          6.00    (#   1730:20  Unique         3.85, 3.91 A)
 &rst
  ixpk= 1730, nxpk= 20, iat= 664, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLU  HN           37 ALA  HA          6.00    (#   1731:20  Unique         5.23, 5.27 A)
 &rst
  ixpk= 1731, nxpk= 20, iat= 587, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  HN           37 ALA  HA          3.50    (#   1732:20  Unique         2.91, 2.91 A)
 &rst
  ixpk= 1732, nxpk= 20, iat= 602, 604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1733    37 ALA  HA          6.00    (#   1733:20  Single Ambig)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 643, 566,
 &end
#
#   38 VAL  HN           37 ALA  HA          6.00    (#   1734:20  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1734, nxpk= 20, iat= 612, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1736    37 ALA  HA          6.00    (#   1736:20  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 594, 595, 594, 595,
 &end
#
#    0 AMB  20-2:1737    37 ALA  HA          6.00    (#   1737:20  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 591, 592, 632, 633,
 &end
#
#    0 AMB  20-2:1738    37 ALA  HA          6.00    (#   1738:20  Single Ambig)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 591, 592, 614,
 &end
#
#   37 ALA  MB           37 ALA  HA          2.20    (#   1739:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 606, 607, 608,
 &end
#
#   38 VAL  MGX          37 ALA  HA          6.00    (#   1740:20  Unique         5.33, 6.33 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HN           37 ALA  HA          6.00    (#   1741:20  Unique         4.51, 4.55 A)
 &rst
  ixpk= 1741, nxpk= 20, iat= 628, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HE1          37 ALA  MB          3.50    (#   1743:20  Unique         3.49, 4.63 A)
 &rst
  ixpk= 1743, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 606, 607, 608,
 &end
#
#   33 TRP  HN           37 ALA  MB          6.00    (#   1744:20  Unique         5.13, 5.87 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#   36 GLU  HN           37 ALA  MB          6.00    (#   1745:20  Unique         4.61, 5.21 A)
 &rst
  ixpk= 1745, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#   37 ALA  HN           37 ALA  MB          2.20    (#   1746:20  Unique         2.32, 2.86 A)
 &rst
  ixpk= 1746, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 606, 607, 608,
 &end
#
#   39 GLU  HN           37 ALA  MB          6.00    (#   1747:20  Unique         4.75, 5.36 A)
 &rst
  ixpk= 1747, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#    0 AMB  20-2:1748    37 ALA  MB          3.50    (#   1748:20  Single Ambig)
 &rst
  ixpk= 1748, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 606, 607, 608,
 &end
#
#   33 TRP  HD1          37 ALA  MB          6.00    (#   1749:20  Unique         5.47, 5.86 A)
 &rst
  ixpk= 1749, nxpk= 20, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#   38 VAL  HN           37 ALA  MB          2.60    (#   1750:20  Unique         2.08, 3.03 A)
 &rst
  ixpk= 1750, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 606, 607, 608,
 &end
#
#   41 TRP  HZ2          37 ALA  MB          3.50    (#   1751:20  Unique         2.34, 3.42 A)
 &rst
  ixpk= 1751, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 606, 607, 608,
 &end
#
#   41 TRP  HD1          37 ALA  MB          6.00    (#   1752:20  Unique         5.28, 6.22 A)
 &rst
  ixpk= 1752, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#   34 GLY  HA+          37 ALA  MB          6.00    (#   1755:20  Unique         3.72, 4.97 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 568, 569,
 igr2= 606, 607, 608,
 &end
#
#    0 AMB  20-2:1756    37 ALA  MB          6.00    (#   1756:20  Single Ambig)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 568, 569, 647, 648,
 igr2= 606, 607, 608,
 &end
#
#   37 ALA  HA           37 ALA  MB          2.20    (#   1758:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 1758, nxpk= 20, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 606, 607, 608,
 &end
#
#    0 AMB  20-2:1759    37 ALA  MB          6.00    (#   1759:20  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 490, 468, 469,
 igr2= 606, 607, 608,
 &end
#
#   33 TRP  HB+          37 ALA  MB          3.50    (#   1760:20  Unique         3.13, 3.60 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547,
 igr2= 606, 607, 608,
 &end
#
#   33 TRP  HB-          37 ALA  MB          3.50    (#   1761:20  Unique         3.13, 3.60 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547,
 igr2= 606, 607, 608,
 &end
#
#    0 AMB  20-2:1762    37 ALA  MB          6.00    (#   1762:20  Single Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 594, 595, 594, 595, 580, 581,
 igr2= 606, 607, 608,
 &end
#
#   36 GLU  HB+          37 ALA  MB          3.50    (#   1763:20  Unique         3.78, 5.33 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 591, 592,
 igr2= 606, 607, 608,
 &end
#
#    0 AMB  20-2:1764    37 ALA  MB          3.50    (#   1764:20  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 614, 591, 592,
 igr2= 606, 607, 608,
 &end
#
#   38 VAL  HB           37 ALA  MB          6.00    (#   1765:20  Unique         4.97, 6.10 A)
 &rst
  ixpk= 1765, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 606, 607, 608,
 &end
#
#   38 VAL  MGX          37 ALA  MB          2.60    (#   1766:20  Unique         2.83, 5.46 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 606, 607, 608,
 &end
#
#   37 ALA  HN           38 VAL  HA          6.00    (#   1767:20  Unique         5.09, 5.12 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1768    38 VAL  HA          6.00    (#   1768:20  Single Ambig)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 643,
 &end
#
#   38 VAL  HN           38 VAL  HA          3.50    (#   1770:20  Unique         2.71, 2.73 A)
 &rst
  ixpk= 1770, nxpk= 20, iat= 612, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1771    38 VAL  HA          6.00    (#   1771:20  Single Ambig)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 667, 479,
 &end
#
#    0 AMB  20-2:1772    38 VAL  HA          6.00    (#   1772:20  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 656, 117,
 &end
#
#   41 TRP  HB+          38 VAL  HA          6.00    (#   1773:20  Unique         2.44, 3.53 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 658, 659,
 &end
#
#   30 LYS  HA           38 VAL  HA          6.00    (#   1774:20  Unique         5.80, 5.90 A)
 &rst
  ixpk= 1774, nxpk= 20, iat= 490, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HB-          38 VAL  HA          6.00    (#   1775:20  Unique         4.87, 5.91 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#   38 VAL  HB           38 VAL  HA          3.50    (#   1776:20  Unique         2.19, 2.36 A)
 &rst
  ixpk= 1776, nxpk= 20, iat= 616, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ALA  MB           38 VAL  HA          3.50    (#   1777:20  Unique         3.76, 4.57 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 606, 607, 608,
 &end
#
#    0 AMB  20-2:1779    38 VAL  HA          6.00    (#   1779:20  Single Ambig)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496, 176, 177,
 &end
#
#   38 VAL  MGY          38 VAL  HA          3.50    (#   1780:20  Unique         2.38, 3.53 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          38 VAL  HA          2.60    (#   1781:20  Unique         2.38, 3.53 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  MDY          38 VAL  HA          6.00    (#   1782:20  Unique         4.65, 6.50 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   37 ALA  HN           38 VAL  HB          6.00    (#   1783:20  Unique         6.08, 6.10 A)
 &rst
  ixpk= 1783, nxpk= 20, iat= 602, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLU  HN           38 VAL  HB          3.50    (#   1784:20  Unique         3.85, 3.95 A)
 &rst
  ixpk= 1784, nxpk= 20, iat= 628, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 VAL  HN           38 VAL  HB          3.50    (#   1785:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1785, nxpk= 20, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLU  HA           38 VAL  HB          6.00    (#   1786:20  Unique         4.58, 4.71 A)
 &rst
  ixpk= 1786, nxpk= 20, iat= 630, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1787    38 VAL  HB          3.50    (#   1787:20  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 658, 659, 583,
 &end
#
#    0 AMB  20-2:1788    38 VAL  HB          6.00    (#   1788:20  Single Ambig)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 468, 469, 490,
 &end
#
#   30 LYS  HE+          38 VAL  HB          6.00    (#   1789:20  Unique         4.91, 5.30 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   38 VAL  HA           38 VAL  HB          3.50    (#   1791:20  Unique         2.19, 2.36 A)
 &rst
  ixpk= 1791, nxpk= 20, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ALA  MB           38 VAL  HB          6.00    (#   1792:20  Unique         4.97, 6.10 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   30 LYS  HG-          38 VAL  HB          6.00    (#   1793:20  Unique         4.33, 5.88 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          38 VAL  HB          2.60    (#   1794:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          38 VAL  HB          2.60    (#   1795:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   29 TRP  HN           38 VAL  MGX         6.00    (#   1796:20  Unique         4.42, 6.15 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HN           38 VAL  MGX         3.50    (#   1797:20  Unique         2.81, 4.39 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   33 TRP  HN           38 VAL  MGX         6.00    (#   1798:20  Unique         4.60, 6.21 A)
 &rst
  ixpk= 1798, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1799    38 VAL  MGX         6.00    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 602, 427,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HN           38 VAL  MGX         3.50    (#   1800:20  Unique         2.54, 4.01 A)
 &rst
  ixpk= 1800, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1801    38 VAL  MGX         3.50    (#   1801:20  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 673, 566,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  HN           38 VAL  MGX         2.60    (#   1804:20  Unique         2.05, 3.09 A)
 &rst
  ixpk= 1804, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   41 TRP  HZ2          38 VAL  MGX         6.00    (#   1805:20  Unique         5.01, 7.14 A)
 &rst
  ixpk= 1805, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   33 TRP  HZ3          38 VAL  MGX         6.00    (#   1806:20  Unique         5.13, 7.28 A)
 &rst
  ixpk= 1806, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   29 TRP  HA           38 VAL  MGX         6.00    (#   1809:20  Unique         4.05, 5.81 A)
 &rst
  ixpk= 1809, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   35 PRO  HA           38 VAL  MGX         3.50    (#   1811:20  Unique         2.08, 3.65 A)
 &rst
  ixpk= 1811, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1812    38 VAL  MGX         2.20    (#   1812:20  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 468, 469, 490,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   29 TRP  HB-          38 VAL  MGX         2.60    (#   1813:20  Unique         2.21, 4.07 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 468, 469,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   33 TRP  HB+          38 VAL  MGX         3.50    (#   1814:20  Unique         3.58, 6.21 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 546, 547,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  HA           38 VAL  MGX         6.00    (#   1815:20  Unique         4.28, 5.57 A)
 &rst
  ixpk= 1815, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   33 TRP  HB-          38 VAL  MGX         3.50    (#   1816:20  Unique         3.58, 6.21 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 546, 547,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HE+          38 VAL  MGX         3.50    (#   1817:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 501, 502,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HE-          38 VAL  MGX         6.00    (#   1818:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 501, 502,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   35 PRO  HB+          38 VAL  MGX         6.00    (#   1819:20  Unique         3.73, 5.86 A)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 580, 581,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1820    38 VAL  MGX         6.00    (#   1820:20  Single Ambig)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 632, 633, 577, 578, 591, 592,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1821    38 VAL  MGX         2.20    (#   1821:20  Single Ambig)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 614, 495, 496,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HB+          38 VAL  MGX         6.00    (#   1822:20  Unique         4.26, 6.52 A)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 632, 633,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1823    38 VAL  MGX         2.20    (#   1823:20  Single Ambig)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 616, 492, 493,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   37 ALA  MB           38 VAL  MGX         2.60    (#   1825:20  Unique         2.83, 5.46 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 606, 607, 608,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  HG           38 VAL  MGX         6.00    (#   1826:20  Unique         3.13, 5.57 A)
 &rst
  ixpk= 1826, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HG-          38 VAL  MGX         2.60    (#   1827:20  Unique         2.39, 4.61 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 495, 496,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  MDY          38 VAL  MGX         3.50    (#   1829:20  Unique         2.28, 5.43 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HN           38 VAL  MGY         6.00    (#   1830:20  Unique         2.81, 4.39 A)
 &rst
  ixpk= 1830, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   29 TRP  HN           38 VAL  MGY         6.00    (#   1831:20  Unique         4.42, 6.15 A)
 &rst
  ixpk= 1831, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1832    38 VAL  MGY         6.00    (#   1832:20  Single Ambig)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 602, 427,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HN           38 VAL  MGY         3.50    (#   1833:20  Unique         2.54, 4.01 A)
 &rst
  ixpk= 1833, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   41 TRP  HE3          38 VAL  MGY         3.50    (#   1835:20  Unique         2.84, 5.19 A)
 &rst
  ixpk= 1835, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    7 TYR  HD           38 VAL  MGY         3.50    (#   1837:20  Unique         3.42, 6.87 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 123, 132,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    7 TYR  HE           38 VAL  MGY         3.50    (#   1838:20  Unique         3.08, 7.04 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 125, 130,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   41 TRP  HZ3          38 VAL  MGY         4.30    (#   1839:20  Unique)
 &rst
  ixpk= 1839, nxpk= 20, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HA           38 VAL  MGY         6.00    (#   1841:20  Unique         3.46, 5.59 A)
 &rst
  ixpk= 1841, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   35 PRO  HA           38 VAL  MGY         3.50    (#   1842:20  Unique         2.08, 3.65 A)
 &rst
  ixpk= 1842, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1843    38 VAL  MGY         3.50    (#   1843:20  Single Ambig)
 &rst
  ixpk= 1843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 468, 469, 490,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  HA           38 VAL  MGY         6.00    (#   1844:20  Unique         4.28, 5.57 A)
 &rst
  ixpk= 1844, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HE+          38 VAL  MGY         3.50    (#   1845:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 501, 502,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HE-          38 VAL  MGY         6.00    (#   1846:20  Unique         2.77, 4.62 A)
 &rst
  ixpk= 1846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 501, 502,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HG+          38 VAL  MGY         6.00    (#   1847:20  Unique         2.42, 5.35 A)
 &rst
  ixpk= 1847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 635, 636,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   35 PRO  HB+          38 VAL  MGY         6.00    (#   1848:20  Unique         3.73, 5.86 A)
 &rst
  ixpk= 1848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 580, 581,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1849    38 VAL  MGY         3.50    (#   1849:20  Single Ambig)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 614, 495, 496,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  HB           38 VAL  MGY         2.20    (#   1850:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1850, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  20-2:1851    38 VAL  MGY         4.30    (#   1851:20  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 632, 633, 577, 578, 591, 592,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   37 ALA  MB           38 VAL  MGY         6.00    (#   1852:20  Unique         2.83, 5.46 A)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 606, 607, 608,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  MDX          38 VAL  MGY         3.50    (#   1854:20  Unique         2.28, 5.43 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  MDY          38 VAL  MGY         2.60    (#   1855:20  Unique         2.28, 5.43 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   16 ILE  MD1          38 VAL  MGY         6.00    (#   1856:20  Unique         5.71, 7.43 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 269, 270, 271,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   29 TRP  HB-          38 VAL  MGY         3.50    (#   1857:20  Unique         2.21, 4.07 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 468, 469,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  HN           38 VAL  MGY         3.50    (#   1858:20  Unique         2.05, 3.09 A)
 &rst
  ixpk= 1858, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 618, 619, 620, 622, 623, 624,
 &end
#
#   39 GLU  HN           39 GLU  HA          3.50    (#   1859:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 1859, nxpk= 20, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HN           39 GLU  HA          6.00    (#   1860:20  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1860, nxpk= 20, iat= 643, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 ALA  HN           39 GLU  HA          3.50    (#   1861:20  Unique         3.78, 4.24 A)
 &rst
  ixpk= 1861, nxpk= 20, iat= 678, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HE           39 GLU  HA          2.20    (#   1862:20  Unique         2.25, 4.33 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 125, 130,
 &end
#
#   39 GLU  HG-          39 GLU  HA          3.50    (#   1864:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#   39 GLU  HG+          39 GLU  HA          3.50    (#   1865:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#   39 GLU  HB+          39 GLU  HA          2.60    (#   1866:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 632, 633,
 &end
#
#   39 GLU  HB-          39 GLU  HA          2.60    (#   1867:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 632, 633,
 &end
#
#    0 AMB  20-2:1868    39 GLU  HA          6.00    (#   1868:20  Single Ambig)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 616,  80,  81,
 &end
#
#    0 AMB  20-2:1869    39 GLU  HA          6.00    (#   1869:20  Single Ambig)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=  80,  81, 606, 607, 608,
 &end
#
#    5 LYS  HG-          39 GLU  HA          6.00    (#   1870:20  Unique         6.21, 7.19 A)
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#   42 ALA  MB           39 GLU  HA          3.50    (#   1871:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 682, 683, 684,
 &end
#
#   26 LEU  MDX          39 GLU  HA          6.00    (#   1872:20  Unique         4.80, 6.39 A)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   38 VAL  MGX          39 GLU  HA          6.00    (#   1873:20  Unique         3.46, 5.59 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  MDY          39 GLU  HA          6.00    (#   1874:20  Unique         4.80, 6.39 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   39 GLU  HN           39 GLU  HB+         2.60    (#   1875:20  Unique         2.31, 2.99 A)
 &rst
  ixpk= 1875, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 632, 633,
 &end
#
#   39 GLU  HN           39 GLU  HB-         2.60    (#   1876:20  Unique         2.31, 2.99 A)
 &rst
  ixpk= 1876, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 632, 633,
 &end
#
#   40 SER  HN           39 GLU  HB+         6.00    (#   1877:20  Unique         2.96, 3.42 A)
 &rst
  ixpk= 1877, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 632, 633,
 &end
#
#   40 SER  HN           39 GLU  HB-         3.50    (#   1878:20  Unique         2.96, 3.42 A)
 &rst
  ixpk= 1878, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 632, 633,
 &end
#
#   38 VAL  HN           39 GLU  HB+         6.00    (#   1879:20  Unique         4.94, 5.74 A)
 &rst
  ixpk= 1879, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 632, 633,
 &end
#
#    7 TYR  HE           39 GLU  HB+         6.00    (#   1880:20  Unique         4.34, 6.66 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2= 632, 633,
 &end
#
#   39 GLU  HA           39 GLU  HB+         3.50    (#   1881:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1881, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 632, 633,
 &end
#
#   39 GLU  HA           39 GLU  HB-         2.60    (#   1882:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1882, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 632, 633,
 &end
#
#    0 AMB  20-2:1883     0 AMB  20-1:1883   3.50    (#   1883:20  Double Ambig)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 589, 583,
 igr2= 632, 633, 632, 633,
 &end
#
#    0 AMB  20-2:1884     0 AMB  20-1:1884   2.20    (#   1884:20  Double Ambig)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 635, 636, 635, 636,
 igr2= 632, 633, 632, 633,
 &end
#
#   39 GLU  HG+          39 GLU  HB-         2.20    (#   1885:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 635, 636,
 igr2= 632, 633,
 &end
#
#   38 VAL  MGY          39 GLU  HB+         6.00    (#   1886:20  Unique         4.26, 6.52 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 632, 633,
 &end
#
#   38 VAL  MGY           0 AMB  20-1:1887   6.00    (#   1887:20  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 632, 633, 591, 592,
 &end
#
#   39 GLU  HN           39 GLU  HG+         2.60    (#   1888:20  Unique         2.56, 3.19 A)
 &rst
  ixpk= 1888, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 635, 636,
 &end
#
#   39 GLU  HN           39 GLU  HG-         2.60    (#   1889:20  Unique         2.56, 3.19 A)
 &rst
  ixpk= 1889, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 635, 636,
 &end
#
#   40 SER  HN           39 GLU  HG+         6.00    (#   1890:20  Unique         4.64, 4.94 A)
 &rst
  ixpk= 1890, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 635, 636,
 &end
#
#   40 SER  HN           39 GLU  HG-         6.00    (#   1891:20  Unique         4.64, 4.94 A)
 &rst
  ixpk= 1891, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 635, 636,
 &end
#
#    7 TYR  HE           39 GLU  HG+         6.00    (#   1892:20  Unique         2.80, 5.29 A)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2= 635, 636,
 &end
#
#    7 TYR  HE           39 GLU  HG-         6.00    (#   1893:20  Unique         2.80, 5.29 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 125, 130,
 igr2= 635, 636,
 &end
#
#   39 GLU  HA           39 GLU  HG+         3.50    (#   1896:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 1896, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 635, 636,
 &end
#
#   39 GLU  HA           39 GLU  HG-         3.50    (#   1897:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 1897, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 635, 636,
 &end
#
#    0 AMB  20-2:1898     0 AMB  20-1:1898   3.50    (#   1898:20  Double Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 583, 589,
 igr2= 635, 636, 635, 636,
 &end
#
#    0 AMB  20-2:1899    39 GLU  HG-         3.50    (#   1899:20  Single Ambig)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 583, 589,
 igr2= 635, 636,
 &end
#
#   30 LYS  HE+          39 GLU  HG+         6.00    (#   1900:20  Unique         3.75, 4.88 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 635, 636,
 &end
#
#   30 LYS  HE+          39 GLU  HG-         6.00    (#   1901:20  Unique         3.75, 4.88 A)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 501, 502,
 igr2= 635, 636,
 &end
#
#   39 GLU  HB-          39 GLU  HG+         2.60    (#   1902:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 632, 633,
 igr2= 635, 636,
 &end
#
#   39 GLU  HB-          39 GLU  HG-         2.20    (#   1903:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 632, 633,
 igr2= 635, 636,
 &end
#
#   39 GLU  HB+          39 GLU  HG+         2.20    (#   1904:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 632, 633,
 igr2= 635, 636,
 &end
#
#   39 GLU  HB+          39 GLU  HG-         2.20    (#   1905:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 632, 633,
 igr2= 635, 636,
 &end
#
#   38 VAL  MGY          39 GLU  HG+         6.00    (#   1906:20  Unique         2.42, 5.35 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 635, 636,
 &end
#
#   38 VAL  MGY          39 GLU  HG-         6.00    (#   1907:20  Unique         2.42, 5.35 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 635, 636,
 &end
#
#    0 AMB  20-2:1908     0 AMB  20-1:1908   6.00    (#   1908:20  Double Ambig)
 &rst
  ixpk= 1908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 616, 492, 493,  80,  81,
 igr2= 635, 636, 635, 636, 635, 636,
 &end
#
#    0 AMB  20-2:1909    39 GLU  HG-         6.00    (#   1909:20  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 616, 492, 493,  80,  81,
 igr2= 635, 636,
 &end
#
#   41 TRP  HN           40 SER  HA          3.50    (#   1910:20  Unique         3.57, 3.58 A)
 &rst
  ixpk= 1910, nxpk= 20, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HN           40 SER  HA          3.50    (#   1911:20  Unique         2.89, 2.90 A)
 &rst
  ixpk= 1911, nxpk= 20, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           40 SER  HA          6.00    (#   1912:20  Unique         3.59, 3.66 A)
 &rst
  ixpk= 1912, nxpk= 20, iat= 678, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 SER  HB+          40 SER  HA          2.60    (#   1914:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 647, 648,
 &end
#
#   40 SER  HB-          40 SER  HA          2.60    (#   1915:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 647, 648,
 &end
#
#   41 TRP  HN           40 SER  HB+         6.00    (#   1916:20  Unique         2.56, 3.22 A)
 &rst
  ixpk= 1916, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 647, 648,
 &end
#
#   41 TRP  HN           40 SER  HB-         6.00    (#   1917:20  Unique         2.56, 3.22 A)
 &rst
  ixpk= 1917, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 647, 648,
 &end
#
#   40 SER  HN           40 SER  HB+         3.50    (#   1918:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 1918, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 647, 648,
 &end
#
#   40 SER  HN           40 SER  HB-         3.50    (#   1919:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 1919, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 647, 648,
 &end
#
#   40 SER  HA           40 SER  HB+         2.60    (#   1920:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 1920, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 647, 648,
 &end
#
#   40 SER  HA           40 SER  HB-         2.60    (#   1921:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 1921, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 647, 648,
 &end
#
#   41 TRP  HB-          41 TRP  HA          3.50    (#   1922:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 658, 659,
 &end
#
#   41 TRP  HD1          41 TRP  HA          3.50    (#   1923:20  Unique         2.54, 2.67 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 662, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 TRP  HN           41 TRP  HA          4.30    (#   1924:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 1924, nxpk= 20, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   41 TRP  HE1          41 TRP  HA          6.00    (#   1925:20  Unique         5.02, 5.15 A)
 &rst
  ixpk= 1925, nxpk= 20, iat= 664, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HN           41 TRP  HB+         4.30    (#   1926:20  Unique         2.53, 3.12 A)
 &rst
  ixpk= 1926, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 658, 659,
 &end
#
#   41 TRP  HN           41 TRP  HB-         3.50    (#   1927:20  Unique         2.53, 3.12 A)
 &rst
  ixpk= 1927, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#    8 LYS  HN           41 TRP  HB-         4.30    (#   1928:20  Unique         2.86, 3.34 A)
 &rst
  ixpk= 1928, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 658, 659,
 &end
#
#    8 LYS  HN           41 TRP  HB+         3.50    (#   1929:20  Unique         2.86, 3.34 A)
 &rst
  ixpk= 1929, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#    7 TYR  HD           41 TRP  HB+         6.00    (#   1932:20  Unique         3.47, 6.06 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 132,
 igr2= 658, 659,
 &end
#
#    7 TYR  HD           41 TRP  HB-         6.00    (#   1933:20  Unique         3.47, 6.06 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 132,
 igr2= 658, 659,
 &end
#
#   41 TRP  HA           41 TRP  HB+         3.50    (#   1934:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1934, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#   41 TRP  HA           41 TRP  HB-         3.50    (#   1935:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1935, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 658, 659,
 &end
#
#    0 AMB  20-2:1936    41 TRP  HB-         6.00    (#   1936:20  Single Ambig)
 &rst
  ixpk= 1936, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 658, 659,
 &end
#
#    0 AMB  20-2:1937     0 AMB  20-1:1937   6.00    (#   1937:20  Double Ambig)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 658, 659,
 &end
#
#    0 AMB  20-2:1938    41 TRP  HB-         6.00    (#   1938:20  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619, 620, 622, 623, 624,
 igr2= 658, 659,
 &end
#
#   42 ALA  MB           42 ALA  HA          6.00    (#   1939:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 682, 683, 684,
 &end
#
#    7 TYR  HN           42 ALA  MB          6.00    (#   1940:20  Unique         5.74, 6.59 A)
 &rst
  ixpk= 1940, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
#   43 THR  HN           42 ALA  MB          2.60    (#   1942:20  Unique         2.45, 3.34 A)
 &rst
  ixpk= 1942, nxpk= 20, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 682, 683, 684,
 &end
#
#   44 LEU  HN           42 ALA  MB          6.00    (#   1943:20  Unique         5.96, 6.65 A)
 &rst
  ixpk= 1943, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
#    5 LYS  HN           42 ALA  MB          6.00    (#   1944:20  Unique         6.20, 7.28 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
#   41 TRP  HN           42 ALA  MB          6.00    (#   1945:20  Unique         4.62, 5.44 A)
 &rst
  ixpk= 1945, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
#    8 LYS  HN           42 ALA  MB          6.00    (#   1946:20  Unique         5.30, 5.93 A)
 &rst
  ixpk= 1946, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1947    42 ALA  MB          6.00    (#   1947:20  Single Ambig)
 &rst
  ixpk= 1947, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
#   42 ALA  HN           42 ALA  MB          2.60    (#   1948:20  Unique         2.65, 3.14 A)
 &rst
  ixpk= 1948, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 682, 683, 684,
 &end
#
#    7 TYR  HD           42 ALA  MB          3.50    (#   1949:20  Unique         2.90, 4.87 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 132,
 igr2= 682, 683, 684,
 &end
#
#    7 TYR  HE           42 ALA  MB          2.60    (#   1950:20  Unique         2.49, 4.39 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 125, 130,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1951    42 ALA  MB          3.50    (#   1951:20  Single Ambig)
 &rst
  ixpk= 1951, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 682, 683, 684,
 &end
#
#   42 ALA  HA           42 ALA  MB          2.20    (#   1952:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1952, nxpk= 20, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1953    42 ALA  MB          6.00    (#   1953:20  Single Ambig)
 &rst
  ixpk= 1953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 645, 704,
 igr2= 682, 683, 684,
 &end
#
#   39 GLU  HA           42 ALA  MB          2.60    (#   1954:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 1954, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 682, 683, 684,
 &end
#
#   43 THR  HB           42 ALA  MB          6.00    (#   1955:20  Unique         5.26, 6.07 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1956    42 ALA  MB          2.60    (#   1956:20  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  89,  90,  89,  90,
 igr2= 682, 683, 684,
 &end
#
#    5 LYS  HD+          42 ALA  MB          2.60    (#   1957:20  Unique         2.36, 3.95 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  86,  87,
 igr2= 682, 683, 684,
 &end
#
#    5 LYS  HB+          42 ALA  MB          2.60    (#   1958:20  Unique         2.73, 4.49 A)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  80,  81,
 igr2= 682, 683, 684,
 &end
#
#    0 AMB  20-2:1959    42 ALA  MB          2.60    (#   1959:20  Single Ambig)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  80,  81,  83,  84,
 igr2= 682, 683, 684,
 &end
#
#   26 LEU  MDY          42 ALA  MB          6.00    (#   1960:20  Unique         5.35, 7.39 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 417, 418, 419, 421, 422, 423,
 igr2= 682, 683, 684,
 &end
#
#   43 THR  HN           43 THR  HA          3.50    (#   1961:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 1961, nxpk= 20, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 LEU  HN           43 THR  HA          2.20    (#   1963:20  Unique         2.04, 2.13 A)
 &rst
  ixpk= 1963, nxpk= 20, iat= 702, 690, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   43 THR  HB           43 THR  HA          3.50    (#   1967:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1967, nxpk= 20, iat= 692, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1968    43 THR  HA          3.50    (#   1968:20  Single Ambig)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 706, 707, 706, 707, 709,
 &end
#
#   43 THR  MG2          43 THR  HA          2.20    (#   1969:20  Unique         2.30, 3.00 A)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 694, 695, 696,
 &end
#
#    0 AMB  20-2:1970    43 THR  HA          4.30    (#   1970:20  Single Ambig)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 682, 683, 684,
 &end
#
#   45 LEU  HN           43 THR  HA          6.00    (#   1971:20  Unique         5.88, 5.98 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 721, 690, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 THR  HN           43 THR  HB          3.50    (#   1972:20  Unique         2.74, 2.80 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 LEU  HN           43 THR  HB          6.00    (#   1973:20  Unique         3.63, 3.73 A)
 &rst
  ixpk= 1973, nxpk= 20, iat= 702, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 LEU  HA           43 THR  HB          6.00    (#   1975:20  Unique         4.72, 4.82 A)
 &rst
  ixpk= 1975, nxpk= 20, iat= 704, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 THR  HA           43 THR  HB          3.50    (#   1977:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1977, nxpk= 20, iat= 690, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HG+          43 THR  HB          6.00    (#   1978:20  Unique         2.36, 3.26 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 105, 106,
 &end
#
#    6 GLN  HB+          43 THR  HB          3.50    (#   1979:20  Unique         2.21, 3.17 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 102, 103,
 &end
#
#    6 GLN  HG-          43 THR  HB          6.00    (#   1980:20  Unique         2.36, 3.26 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 105, 106,
 &end
#
#    6 GLN  HB-          43 THR  HB          3.50    (#   1981:20  Unique         2.21, 3.17 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 102, 103,
 &end
#
#    0 AMB  20-2:1982    43 THR  HB          6.00    (#   1982:20  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 706, 707, 706, 707,
 &end
#
#   43 THR  MG2          43 THR  HB          2.20    (#   1983:20  Unique         2.31, 2.62 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 694, 695, 696,
 &end
#
#   45 LEU  MDX          43 THR  HB          3.50    (#   1984:20  Unique         3.32, 4.90 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#   42 ALA  MB           43 THR  HB          4.30    (#   1985:20  Unique         5.26, 6.07 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 682, 683, 684,
 &end
#
#   44 LEU  HN           43 THR  MG2         2.60    (#   1986:20  Unique         2.40, 3.21 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 694, 695, 696,
 &end
#
#   43 THR  HN           43 THR  MG2         4.30    (#   1987:20  Unique         4.59, 4.73 A)
 &rst
  ixpk= 1987, nxpk= 20, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 694, 695, 696,
 &end
#
#    6 GLN  HE2-         43 THR  MG2         6.00    (#   1989:20  Unique         5.12, 6.39 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 110, 111,
 igr2= 694, 695, 696,
 &end
#
#    6 GLN  HA           43 THR  MG2         6.00    (#   1990:20  Unique         6.45, 7.05 A)
 &rst
  ixpk= 1990, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 694, 695, 696,
 &end
#
#    7 TYR  HA           43 THR  MG2         6.00    (#   1991:20  Unique         6.71, 7.15 A)
 &rst
  ixpk= 1991, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 694, 695, 696,
 &end
#
#   44 LEU  HA           43 THR  MG2         6.00    (#   1993:20  Unique         4.42, 5.42 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 694, 695, 696,
 &end
#
#   43 THR  HA           43 THR  MG2         2.20    (#   1994:20  Unique         2.30, 3.00 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 694, 695, 696,
 &end
#
#   43 THR  HB           43 THR  MG2         2.20    (#   1995:20  Unique         2.31, 2.62 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 694, 695, 696,
 &end
#
#    6 GLN  HG+          43 THR  MG2         3.50    (#   1998:20  Unique         3.64, 5.23 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 105, 106,
 igr2= 694, 695, 696,
 &end
#
#    6 GLN  HB+          43 THR  MG2         3.50    (#   2000:20  Unique         3.60, 5.17 A)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 102, 103,
 igr2= 694, 695, 696,
 &end
#
#   45 LEU  MDX          43 THR  MG2         2.60    (#   2001:20  Unique         2.82, 5.74 A)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 694, 695, 696,
 &end
#
#   45 LEU  HN           43 THR  MG2         6.00    (#   2004:20  Unique         4.99, 6.12 A)
 &rst
  ixpk= 2004, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 694, 695, 696,
 &end
#
#    6 GLN  HN           43 THR  MG2         6.00    (#   2005:20  Unique         4.34, 5.10 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 694, 695, 696,
 &end
#
#    6 GLN  HN           44 LEU  HA          6.00    (#   2006:20  Unique         3.63, 3.92 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  98, 704, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HN           44 LEU  HA          2.60    (#   2007:20  Unique         2.12, 2.15 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 721, 704, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   44 LEU  HN           44 LEU  HA          3.50    (#   2008:20  Unique         2.95, 2.97 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2009    44 LEU  HA          6.00    (#   2009:20  Single Ambig)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  42,  43,  80,  81,  48,  49,  48,  49,
 &end
#
#   45 LEU  HB-          44 LEU  HA          6.00    (#   2010:20  Unique         4.59, 5.23 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 725, 726,
 &end
#
#    0 AMB  20-2:2011    44 LEU  HA          3.50    (#   2011:20  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 706, 707, 706, 707, 709,
 &end
#
#    5 LYS  HG-          44 LEU  HA          6.00    (#   2012:20  Unique         3.24, 3.51 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#   44 LEU  MDY          44 LEU  HA          6.00    (#   2013:20  Unique         2.46, 3.97 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#   44 LEU  MDX          44 LEU  HA          2.60    (#   2014:20  Unique         2.46, 3.97 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#   45 LEU  HN            0 AMB  20-1:2015   2.60    (#   2015:20  Single Ambig)
 &rst
  ixpk= 2015, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 725, 726, 706, 707, 706, 707,
 &end
#
#   44 LEU  HN            0 AMB  20-1:2016   2.60    (#   2016:20  Single Ambig)
 &rst
  ixpk= 2016, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 706, 707, 706, 707,
 &end
#
#    6 GLN  HN            0 AMB  20-1:2017   6.00    (#   2017:20  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 725, 726, 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2018     0 AMB  20-1:2018   3.50    (#   2018:20  Double Ambig)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 740,  60,
 igr2= 725, 726, 725, 726, 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2019    45 LEU  HB-         3.50    (#   2019:20  Single Ambig)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 740,  60,
 igr2= 725, 726,
 &end
#
#   45 LEU  HN           45 LEU  HB-         2.60    (#   2020:20  Unique         2.55, 3.20 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 725, 726,
 &end
#
#    0 AMB  20-2:2021     0 AMB  20-1:2021   2.60    (#   2021:20  Double Ambig)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 723, 690,
 igr2= 725, 726, 706, 707, 706, 707,
 &end
#
#   44 LEU  HA            0 AMB  20-1:2022   2.60    (#   2022:20  Single Ambig)
 &rst
  ixpk= 2022, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2023     0 AMB  20-1:2023   6.00    (#   2023:20  Double Ambig)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
 igr1= 742, 743, 742, 743,  62, 742, 743, 742, 743,
 igr2= 725, 726, 725, 726, 725, 726, 706, 707, 706, 707,
       706, 707,
 &end
#
#    0 AMB  20-2:2024    45 LEU  HB-         6.00    (#   2024:20  Single Ambig)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 742, 743, 742, 743,  62,
 igr2= 725, 726,
 &end
#
#    4 VAL  HB           45 LEU  HB+         3.50    (#   2025:20  Unique         2.04, 2.87 A)
 &rst
  ixpk= 2025, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 725, 726,
 &end
#
#    4 VAL  HB           45 LEU  HB-         2.60    (#   2026:20  Unique         2.04, 2.87 A)
 &rst
  ixpk= 2026, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 725, 726,
 &end
#
#   43 THR  MG2           0 AMB  20-1:2027   3.50    (#   2027:20  Single Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695, 696,
 igr2= 706, 707, 706, 707, 725, 726,
 &end
#
#   44 LEU  MDY           0 AMB  20-1:2028   2.20    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 711, 712, 713, 715, 716, 717,
 igr2= 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2029     0 AMB  20-1:2029   2.20    (#   2029:20  Double Ambig)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731, 732, 734, 735, 736, 711, 712, 713, 715,
       716, 717,
 igr2= 725, 726, 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2030     0 AMB  20-1:2030   6.00    (#   2030:20  Double Ambig)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 102, 103, 282, 283, 102, 103,
 igr2= 725, 726, 725, 726, 706, 707,
 &end
#
#    0 AMB  20-2:2031     0 AMB  20-1:2031   6.00    (#   2031:20  Double Ambig)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 102, 103, 282, 283, 102, 103,
 igr2= 725, 726, 260,
 &end
#
#   45 LEU  HN           45 LEU  HA          3.50    (#   2032:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 721, 723, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HN           45 LEU  HA          2.60    (#   2033:20  Unique         2.07, 2.23 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 740, 723, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:2034    45 LEU  HA          6.00    (#   2034:20  Single Ambig)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 742, 743, 742, 743,
 &end
#
#    4 VAL  HB           45 LEU  HA          6.00    (#   2035:20  Unique         4.96, 5.12 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=  64, 723, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2036    45 LEU  HA          2.60    (#   2036:20  Single Ambig)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 725, 726,
 &end
#
#   45 LEU  HB-          45 LEU  HA          2.60    (#   2037:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 725, 726,
 &end
#
#   43 THR  MG2          45 LEU  HA          6.00    (#   2038:20  Unique         4.50, 5.79 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 694, 695, 696,
 &end
#
#    0 AMB  20-2:2039    45 LEU  HA          6.00    (#   2039:20  Single Ambig)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 711, 712, 713, 715, 716, 717,  66,  67,  68,  70,
        71,  72,
 &end
#
#   45 LEU  MDX          45 LEU  HA          2.20    (#   2041:20  Unique         2.41, 3.76 A)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#    3 LYS  HB-          45 LEU  HA          6.00    (#   2042:20  Unique         5.42, 6.64 A)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  42,  43,
 &end
#
#   44 LEU  HN           44 LEU  HG          6.00    (#   2043:20  Unique         4.18, 4.28 A)
 &rst
  ixpk= 2043, nxpk= 20, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HN           44 LEU  HG          3.50    (#   2044:20  Unique         3.51, 3.57 A)
 &rst
  ixpk= 2044, nxpk= 20, iat= 721, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 LEU  HA           44 LEU  HG          3.50    (#   2045:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 2045, nxpk= 20, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2046    44 LEU  HG          6.00    (#   2046:20  Single Ambig)
 &rst
  ixpk= 2046, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 723, 690,
 &end
#
#    0 AMB  20-2:2049    44 LEU  HG          6.00    (#   2049:20  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  89,  90,  89,  90,
 &end
#
#   44 LEU  MDX          44 LEU  HG          2.20    (#   2050:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 2050, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#   44 LEU  MDY          44 LEU  HG          2.20    (#   2051:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#    6 GLN  HN           44 LEU  MDX         6.00    (#   2052:20  Unique         5.86, 7.66 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   45 LEU  HN           44 LEU  MDX         2.60    (#   2053:20  Unique         2.13, 4.44 A)
 &rst
  ixpk= 2053, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   46 GLY  HN           44 LEU  MDX         6.00    (#   2054:20  Unique         1.92, 5.09 A)
 &rst
  ixpk= 2054, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    5 LYS  HA           44 LEU  MDX         6.00    (#   2055:20  Unique         4.45, 6.46 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   44 LEU  HA           44 LEU  MDX         2.60    (#   2056:20  Unique         2.46, 3.97 A)
 &rst
  ixpk= 2056, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2057    44 LEU  MDX         6.00    (#   2057:20  Single Ambig)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 723, 690,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2058    44 LEU  MDX         6.00    (#   2058:20  Single Ambig)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=  89,  90,  89,  90,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2059    44 LEU  MDX         2.20    (#   2059:20  Single Ambig)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 709, 706, 707, 706, 707,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2060    44 LEU  MDX         2.20    (#   2060:20  Single Ambig)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=  48,  49,  48,  49,  42,  43,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   45 LEU  HN           44 LEU  MDY         6.00    (#   2061:20  Unique         2.13, 4.44 A)
 &rst
  ixpk= 2061, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   44 LEU  HN           44 LEU  MDY         6.00    (#   2062:20  Unique         4.66, 5.30 A)
 &rst
  ixpk= 2062, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#   46 GLY  HN           44 LEU  MDY         6.00    (#   2063:20  Unique         1.92, 5.09 A)
 &rst
  ixpk= 2063, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2064    44 LEU  MDY         6.00    (#   2064:20  Single Ambig)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 723, 690,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    3 LYS  HA           44 LEU  MDY         6.00    (#   2065:20  Unique         4.10, 6.32 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2066    44 LEU  MDY         6.00    (#   2066:20  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 742, 743, 742, 743,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2067    44 LEU  MDY         3.50    (#   2067:20  Single Ambig)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  51,  52,  51,  52,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    0 AMB  20-2:2068     8 LYS  HG-         2.20    (#   2068:20  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 146, 147, 146, 147,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:2069     0 AMB  20-1:2069   2.20    (#   2069:20  Double Ambig)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 709, 140, 141, 706, 707, 706, 707,
 igr2= 711, 712, 713, 715, 716, 717, 143, 144,
 &end
#
#    0 AMB  20-2:2070    44 LEU  MDY         2.60    (#   2070:20  Single Ambig)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  48,  49,  48,  49,  42,  43,
 igr2= 711, 712, 713, 715, 716, 717,
 &end
#
#    6 GLN  HN           45 LEU  HG          6.00    (#   2071:20  Unique         2.63, 3.27 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=  98, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HN           45 LEU  HG          2.80    (#   2072:20  Unique         2.70, 3.28 A)
 &rst
  ixpk= 2072, nxpk= 20, iat= 721, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:2073    45 LEU  HG          6.00    (#   2073:20  Single Ambig)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 740,  60,
 &end
#
#   44 LEU  HA           45 LEU  HG          6.00    (#   2074:20  Unique         3.85, 4.62 A)
 &rst
  ixpk= 2074, nxpk= 20, iat= 704, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HA           45 LEU  HG          6.00    (#   2075:20  Unique         3.41, 3.53 A)
 &rst
  ixpk= 2075, nxpk= 20, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 GLN  HB+          45 LEU  HG          6.00    (#   2076:20  Unique         2.15, 3.10 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#    0 AMB  20-2:2077    45 LEU  HG          6.00    (#   2077:20  Single Ambig)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  64, 105, 106,
 &end
#
#   45 LEU  MDY          45 LEU  HG          2.20    (#   2078:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#    4 VAL  MGY          45 LEU  HG          6.00    (#   2079:20  Unique         3.15, 5.30 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#   45 LEU  MDX          45 LEU  HG          2.20    (#   2080:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HN           45 LEU  MDX         6.00    (#   2081:20  Unique         2.34, 4.53 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2082    45 LEU  MDX         3.50    (#   2082:20  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 721,  76,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2083    45 LEU  MDX         3.50    (#   2083:20  Single Ambig)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 740,  60,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HE2+         45 LEU  MDX         6.00    (#   2084:20  Unique         3.22, 4.91 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 110, 111,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HE2-         45 LEU  MDX         3.50    (#   2085:20  Unique         3.22, 4.91 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 110, 111,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HA           45 LEU  MDX         6.00    (#   2086:20  Unique         3.30, 5.18 A)
 &rst
  ixpk= 2086, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   44 LEU  HA           45 LEU  MDX         6.00    (#   2087:20  Unique         3.34, 5.77 A)
 &rst
  ixpk= 2087, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HA           45 LEU  MDX         2.20    (#   2088:20  Unique         2.41, 3.76 A)
 &rst
  ixpk= 2088, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   43 THR  HB           45 LEU  MDX         3.50    (#   2089:20  Unique         3.32, 4.90 A)
 &rst
  ixpk= 2089, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2090    45 LEU  MDX         6.00    (#   2090:20  Single Ambig)
 &rst
  ixpk= 2090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=  62, 742, 743, 742, 743,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   17 GLU  HG+          45 LEU  MDX         3.50    (#   2091:20  Unique         2.24, 4.62 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 282, 283,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2092    45 LEU  MDX         3.50    (#   2092:20  Single Ambig)
 &rst
  ixpk= 2092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 102, 103, 282, 283,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    4 VAL  HB           45 LEU  MDX         3.50    (#   2093:20  Unique         2.36, 4.79 A)
 &rst
  ixpk= 2093, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HB-          45 LEU  MDX         2.60    (#   2094:20  Unique         2.13, 3.55 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 102, 103,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HB+          45 LEU  MDX         2.60    (#   2095:20  Unique         2.23, 3.36 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 725, 726,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2096    45 LEU  MDX         2.60    (#   2096:20  Single Ambig)
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 728, 725, 726,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   43 THR  MG2          45 LEU  MDX         2.60    (#   2098:20  Unique         2.82, 5.74 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 694, 695, 696,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HN           45 LEU  MDY         6.00    (#   2099:20  Unique         2.34, 4.53 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2100    45 LEU  MDY         3.50    (#   2100:20  Single Ambig)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 721,  76,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2101    45 LEU  MDY         3.50    (#   2101:20  Single Ambig)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 740,  60,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HE2+         45 LEU  MDY         3.50    (#   2102:20  Unique         3.22, 4.91 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 110, 111,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HE2-         45 LEU  MDY         3.50    (#   2104:20  Unique         3.22, 4.91 A)
 &rst
  ixpk= 2104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 110, 111,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   17 GLU  HA           45 LEU  MDY         6.00    (#   2105:20  Unique         4.17, 6.07 A)
 &rst
  ixpk= 2105, nxpk= 20, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HA           45 LEU  MDY         6.00    (#   2106:20  Unique         3.30, 5.18 A)
 &rst
  ixpk= 2106, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   44 LEU  HA           45 LEU  MDY         6.00    (#   2107:20  Unique         3.34, 5.77 A)
 &rst
  ixpk= 2107, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HA           45 LEU  MDY         3.50    (#   2108:20  Unique         2.41, 3.76 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2109    45 LEU  MDY         6.00    (#   2109:20  Single Ambig)
 &rst
  ixpk= 2109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=  62, 742, 743, 742, 743,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   43 THR  HB           45 LEU  MDY         6.00    (#   2110:20  Unique         3.32, 4.90 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   17 GLU  HG+          45 LEU  MDY         3.50    (#   2111:20  Unique         2.24, 4.62 A)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 282, 283,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2112    45 LEU  MDY         2.60    (#   2112:20  Single Ambig)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 102, 103, 282, 283,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    6 GLN  HB-          45 LEU  MDY         2.60    (#   2113:20  Unique         2.13, 3.55 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 102, 103,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    4 VAL  HB           45 LEU  MDY         3.50    (#   2114:20  Unique         2.36, 4.79 A)
 &rst
  ixpk= 2114, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#    0 AMB  20-2:2115    45 LEU  MDY         2.20    (#   2115:20  Single Ambig)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 728, 725, 726,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HB+          45 LEU  MDY         2.20    (#   2116:20  Unique         2.23, 3.36 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 725, 726,
 igr2= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HN            0 AMB  20-1:2117   6.00    (#   2117:20  Single Ambig)
 &rst
  ixpk= 2117, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:2118     0 AMB  20-1:2118   2.20    (#   2118:20  Double Ambig)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 740,   2,
 igr2= 742, 743, 742, 743, 742, 743,
 &end
#
#   47 HIS  HA            0 AMB  20-1:2120   6.00    (#   2120:20  Single Ambig)
 &rst
  ixpk= 2120, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 742, 743, 742, 743,
 &end
#
#   45 LEU  HA            0 AMB  20-1:2121   3.50    (#   2121:20  Single Ambig)
 &rst
  ixpk= 2121, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:2122     0 AMB  20-1:2122   6.00    (#   2122:20  Double Ambig)
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=  51,  52,  51,  52,  51,  52,
 igr2= 742, 743, 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:2123     0 AMB  20-1:2123   3.50    (#   2123:20  Double Ambig)
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=  42,  43,  48,  49,  48,  49,  48,  49,
 igr2= 742, 743, 742, 743, 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:2124     0 AMB  20-1:2124   3.50    (#   2124:20  Double Ambig)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
 igr1= 709, 725, 726, 725, 726, 706, 707, 706, 707, 706,
       707,
 igr2= 742, 743, 742, 743, 742, 743, 742, 743, 742, 743,
      
 &end
#
#    0 AMB  20-2:2125     0 AMB  20-1:2125   3.50    (#   2125:20  Double Ambig)
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 725, 726, 728,
 igr2= 742, 743, 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:2126     0 AMB  20-1:2126   6.00    (#   2126:20  Double Ambig)
 &rst
  ixpk= 2126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=  45,  46,  45,  46,
 igr2= 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:2127     0 AMB  20-1:2127   6.00    (#   2127:20  Double Ambig)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
 igr1= 730, 731, 732, 734, 735, 736, 730, 731, 732, 734,
       735, 736,
 igr2= 742, 743, 742, 743, 742, 743,
 &end
#
#   44 LEU  MDX           0 AMB  20-1:2128   6.00    (#   2128:20  Single Ambig)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 711, 712, 713, 715, 716, 717,
 igr2= 742, 743, 742, 743,
 &end
#
#    2 ARG  HN            1 ALA  HN          6.00    (#      3:10  Unique         3.78, 5.19 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  14,   2, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    1 ALA  HA            1 ALA  HN          4.30    (#      6:10  Unique         2.84, 4.87 A)
 &rst
  ixpk= 6, nxpk= 10, iat=   6,   2, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:8        1 ALA  HN          4.30    (#      8:10  Single Ambig)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,   2, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  48,  49,  48,  49,
 &end
#
#    0 AMB  10-2:9        1 ALA  HN          2.20    (#      9:10  Single Ambig)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1,   2, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr1=  45,  46,   8,   9,  10,
 &end
#
#    1 ALA  HN            2 ARG  HN          6.00    (#     10:10  Unique         3.78, 5.19 A)
 &rst
  ixpk= 10, nxpk= 10, iat=   2,  14, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    1 ALA  HA            2 ARG  HN          2.20    (#     11:10  Unique         2.25, 2.27 A)
 &rst
  ixpk= 11, nxpk= 10, iat=   6,  14, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  10-2:13       2 ARG  HN          4.30    (#     13:10  Single Ambig)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  24,  25,  24,  25,
 &end
#
#    0 AMB  10-2:14       2 ARG  HN          6.00    (#     14:10  Single Ambig)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  51,  52,  51,  52,
 &end
#
#    1 ALA  MB            2 ARG  HN          2.60    (#     15:10  Unique         2.27, 3.18 A)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   8,   9,  10,
 &end
#
#    2 ARG  HB+           2 ARG  HN          4.30    (#     16:10  Unique         1.98, 2.90 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  18,  19,
 &end
#
#    2 ARG  HB-           2 ARG  HN          4.30    (#     17:10  Unique         1.98, 2.90 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  18,  19,
 &end
#
#    2 ARG  HG-           2 ARG  HN          4.30    (#     18:10  Unique         2.39, 3.59 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  21,  22,
 &end
#
#    0 AMB  10-2:20       3 LYS  HN          4.30    (#     20:10  Single Ambig)
 &rst
  ixpk= 20, nxpk= 10, iat=  60,  38, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    3 LYS  HA            3 LYS  HN          4.30    (#     22:10  Unique         2.77, 2.88 A)
 &rst
  ixpk= 22, nxpk= 10, iat=  40,  38, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    2 ARG  HA            3 LYS  HN          2.60    (#     23:10  Unique         2.25, 2.54 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  16,  38, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:24       3 LYS  HN          6.00    (#     24:10  Single Ambig)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  51,  52,  51,  52,
 &end
#
#    0 AMB  10-2:25       3 LYS  HN          4.50    (#     25:10  Single Ambig)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  24,  25,  24,  25,
 &end
#
#    0 AMB  10-2:26       3 LYS  HN          6.00    (#     26:10  Single Ambig)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 711, 712, 713, 715, 716, 717,  66,  67,  68,  70,
        71,  72,
 &end
#
#    0 AMB  10-2:27       3 LYS  HN          2.60    (#     27:10  Single Ambig)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  45,  46,   8,   9,  10,
 &end
#
#    3 LYS  HG-           3 LYS  HN          2.60    (#     28:10  Unique         2.57, 3.26 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  45,  46,
 &end
#
#    0 AMB  10-2:29       3 LYS  HN          2.60    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  48,  49,  48,  49,  42,  43,
 &end
#
#    2 ARG  HB+           3 LYS  HN          4.30    (#     30:10  Unique         2.75, 4.40 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  18,  19,
 &end
#
#    0 AMB  10-2:31       3 LYS  HN          2.60    (#     31:10  Single Ambig)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  42,  43,
 &end
#
#    3 LYS  HN            4 VAL  HN          4.30    (#     32:10  Unique         4.35, 4.45 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  38,  60, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   47 HIS  HA            4 VAL  HN          6.00    (#     33:10  Unique         4.24, 5.48 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 749,  60, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 LYS  HA            4 VAL  HN          2.20    (#     35:10  Unique         2.04, 2.11 A)
 &rst
  ixpk= 35, nxpk= 10, iat=  40,  60, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  10-2:36       4 VAL  HN          4.30    (#     36:10  Single Ambig)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  62, 742, 743,
 &end
#
#    0 AMB  10-2:37       4 VAL  HN          5.00    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  51,  52, 317, 318, 317, 318,
 &end
#
#    4 VAL  HB            4 VAL  HN          2.60    (#     38:10  Unique         2.54, 2.61 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  64,  60, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:39       4 VAL  HN          4.30    (#     39:10  Single Ambig)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  42,  43,  48,  49,
 &end
#
#    0 AMB  10-2:40       4 VAL  HN          4.30    (#     40:10  Single Ambig)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  45,  46, 728,
 &end
#
#    0 AMB  10-2:41       4 VAL  HN          4.30    (#     41:10  Single Ambig)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  45,  46,  80,  81,
 &end
#
#    4 VAL  MGX           4 VAL  HN          4.30    (#     42:10  Unique         1.90, 3.82 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  MGY           4 VAL  HN          2.20    (#     43:10  Unique         1.90, 3.82 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    3 LYS  HB+           4 VAL  HN          4.30    (#     44:10  Unique         2.32, 3.52 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  42,  43,
 &end
#
#    5 LYS  HG-           4 VAL  HN          6.00    (#     45:10  Unique         5.86, 6.69 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#   18 THR  HN            5 LYS  HN          4.30    (#     46:10  Unique         2.91, 3.03 A)
 &rst
  ixpk= 46, nxpk= 10, iat= 290,  76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    6 GLN  HN            5 LYS  HN          4.30    (#     47:10  Unique         4.32, 4.35 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  98,  76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    4 VAL  HN            5 LYS  HN          6.00    (#     48:10  Unique         4.53, 4.62 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  60,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HE            5 LYS  HN          6.00    (#     49:10  Unique         3.97, 5.97 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#   17 GLU  HA            5 LYS  HN          6.00    (#     50:10  Unique         4.41, 4.53 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 277,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 VAL  HA            5 LYS  HN          2.60    (#     52:10  Unique         2.12, 2.19 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  62,  76, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:53       5 LYS  HN          6.00    (#     53:10  Single Ambig)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  89,  90,  89,  90,
 &end
#
#    0 AMB  10-2:54       5 LYS  HN          6.00    (#     54:10  Single Ambig)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 282, 283, 102, 103,
 &end
#
#    4 VAL  HB            5 LYS  HN          4.30    (#     55:10  Unique         3.89, 4.00 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  64,  76, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    5 LYS  HB+           5 LYS  HN          4.30    (#     56:10  Unique         2.41, 3.02 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  80,  81,
 &end
#
#    0 AMB  10-2:57       5 LYS  HN          4.30    (#     57:10  Single Ambig)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  86,  87, 709,
 &end
#
#    5 LYS  HB-           5 LYS  HN          2.60    (#     58:10  Unique         2.41, 3.02 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  80,  81,
 &end
#
#    0 AMB  10-2:60       5 LYS  HN          4.30    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  83,  84, 296, 297, 298,
 &end
#
#    4 VAL  MGY           5 LYS  HN          4.30    (#     61:10  Unique         2.57, 4.13 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  MGX           5 LYS  HN          2.60    (#     62:10  Unique         2.57, 4.13 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    7 TYR  HN            6 GLN  HN          4.30    (#     63:10  Unique         4.38, 4.43 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 115,  98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:64       6 GLN  HN          4.30    (#     64:10  Single Ambig)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 721,  76,
 &end
#
#    7 TYR  HD            6 GLN  HN          6.00    (#     65:10  Unique         4.79, 6.00 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#    6 GLN  HA            6 GLN  HN          4.30    (#     66:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 66, nxpk= 10, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   44 LEU  HA            6 GLN  HN          4.30    (#     67:10  Unique         3.63, 3.92 A)
 &rst
  ixpk= 67, nxpk= 10, iat= 704,  98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   43 THR  HA            6 GLN  HN          6.00    (#     68:10  Unique)
 &rst
  ixpk= 68, nxpk= 10, iat= 690,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 THR  HB            6 GLN  HN          6.00    (#     69:10  Unique         2.73, 2.88 A)
 &rst
  ixpk= 69, nxpk= 10, iat= 692,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 VAL  HA            6 GLN  HN          6.00    (#     70:10  Unique         5.82, 5.93 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  62,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:71       6 GLN  HN          4.30    (#     71:10  Single Ambig)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 105, 106, 282, 283,
 &end
#
#    6 GLN  HB+           6 GLN  HN          2.60    (#     72:10  Unique         2.19, 2.81 A)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 102, 103,
 &end
#
#    0 AMB  10-2:73       6 GLN  HN          4.30    (#     73:10  Single Ambig)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 105, 106,  64,
 &end
#
#    6 GLN  HB-           6 GLN  HN          2.60    (#     74:10  Unique         2.19, 2.81 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 102, 103,
 &end
#
#    5 LYS  HB+           6 GLN  HN          4.30    (#     75:10  Unique         3.31, 3.94 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  80,  81,
 &end
#
#   45 LEU  HG            6 GLN  HN          4.30    (#     76:10  Unique         2.63, 3.27 A)
 &rst
  ixpk= 76, nxpk= 10, iat= 728,  98, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    5 LYS  HB-           6 GLN  HN          4.30    (#     77:10  Unique         3.31, 3.94 A)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  80,  81,
 &end
#
#   43 THR  MG2           6 GLN  HN          4.30    (#     78:10  Unique         4.34, 5.10 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 694, 695, 696,
 &end
#
#    5 LYS  HG-           6 GLN  HN          4.30    (#     79:10  Unique         3.54, 4.10 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  83,  84,
 &end
#
#    0 AMB  10-2:80       6 GLN  HN          3.50    (#     80:10  Single Ambig)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  66,  67,  68,  70,  71,  72, 682, 683, 684,
 &end
#
#   15 VAL  HA            6 GLN  HE2+        6.00    (#     81:10  Unique         5.59, 6.23 A)
 &rst
  ixpk= 81, nxpk= 10, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 110, 111,
 &end
#
#    6 GLN  HA            6 GLN  HE2-        6.00    (#     82:10  Unique         4.15, 5.06 A)
 &rst
  ixpk= 82, nxpk= 10, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:84       0 AMB  10-1:84     6.00    (#     84:10  Double Ambig)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 149, 150, 149, 150,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  10-2:85       6 GLN  HE2-        6.00    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 149, 150, 149, 150,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:86       0 AMB  10-1:86     4.30    (#     86:10  Double Ambig)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 105, 106, 282, 283,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  10-2:87       6 GLN  HE2-        4.30    (#     87:10  Single Ambig)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 105, 106, 282, 283,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:88       6 GLN  HE2-        4.30    (#     88:10  Single Ambig)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 102, 103, 282, 283,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:89       0 AMB  10-1:89     4.30    (#     89:10  Double Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 102, 103, 282, 283,
 igr2= 110, 111, 110, 111,
 &end
#
#    6 GLN  HG-           6 GLN  HE2+        4.30    (#     90:10  Unique         2.51, 3.49 A)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 105, 106,
 igr2= 110, 111,
 &end
#
#    6 GLN  HB-           6 GLN  HE2+        4.30    (#     91:10  Unique         2.47, 3.54 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 102, 103,
 igr2= 110, 111,
 &end
#
#    6 GLN  HB-           6 GLN  HE2-        4.30    (#     92:10  Unique         2.47, 3.54 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 102, 103,
 igr2= 110, 111,
 &end
#
#    6 GLN  HG-           6 GLN  HE2-        4.30    (#     93:10  Unique         2.51, 3.49 A)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 105, 106,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:94       6 GLN  HE2-        6.00    (#     94:10  Single Ambig)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 146, 147, 146, 147, 728, 725, 726,
 igr2= 110, 111,
 &end
#
#    0 AMB  10-2:95       0 AMB  10-1:95     6.00    (#     95:10  Double Ambig)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 728, 260,
 igr2= 110, 111, 110, 111,
 &end
#
#   15 VAL  MGX           6 GLN  HE2+        4.30    (#     96:10  Unique         2.57, 4.60 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 110, 111,
 &end
#
#   45 LEU  MDY           6 GLN  HE2+        4.30    (#     97:10  Unique         3.22, 4.91 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 110, 111,
 &end
#
#   15 VAL  MGX           6 GLN  HE2-        4.30    (#     98:10  Unique         2.57, 4.60 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 246, 247, 248, 250, 251, 252,
 igr2= 110, 111,
 &end
#
#   45 LEU  MDY           6 GLN  HE2-        4.30    (#     99:10  Unique         3.22, 4.91 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 730, 731, 732, 734, 735, 736,
 igr2= 110, 111,
 &end
#
#   16 ILE  HN            7 TYR  HN          4.30    (#    100:10  Unique         2.70, 2.76 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 256, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    8 LYS  HN            7 TYR  HN          6.00    (#    101:10  Unique         4.21, 4.30 A)
 &rst
  ixpk= 101, nxpk= 10, iat= 136, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HD            7 TYR  HN          4.30    (#    102:10  Unique         2.67, 4.15 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 123, 132,
 &end
#
#    7 TYR  HE            7 TYR  HN          6.00    (#    103:10  Unique         5.00, 6.10 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#    7 TYR  HA            7 TYR  HN          4.30    (#    104:10  Unique         2.99, 3.00 A)
 &rst
  ixpk= 104, nxpk= 10, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    6 GLN  HA            7 TYR  HN          2.60    (#    105:10  Unique         2.15, 2.22 A)
 &rst
  ixpk= 105, nxpk= 10, iat= 100, 115, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    7 TYR  HB+           7 TYR  HN          4.30    (#    106:10  Unique         2.48, 3.19 A)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    7 TYR  HB-           7 TYR  HN          4.30    (#    107:10  Unique         2.48, 3.19 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    6 GLN  HG+           7 TYR  HN          4.30    (#    108:10  Unique         2.47, 3.06 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 105, 106,
 &end
#
#    0 AMB  10-2:109      7 TYR  HN          4.30    (#    109:10  Single Ambig)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 102, 103, 282, 283,
 &end
#
#    6 GLN  HB-           7 TYR  HN          4.30    (#    110:10  Unique         3.54, 3.94 A)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 102, 103,
 &end
#
#    6 GLN  HG-           7 TYR  HN          4.30    (#    111:10  Unique         2.47, 3.06 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 105, 106,
 &end
#
#    0 AMB  10-2:112      7 TYR  HN          6.00    (#    112:10  Single Ambig)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 260, 728,
 &end
#
#   16 ILE  HG1-          7 TYR  HN          4.30    (#    113:10  Unique         3.55, 4.40 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 266, 267,
 &end
#
#    0 AMB  10-2:114      7 TYR  HN          6.00    (#    114:10  Single Ambig)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 296, 297, 298,  83,  84,
 &end
#
#   15 VAL  MGX           7 TYR  HN          4.30    (#    115:10  Unique         3.54, 5.47 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#   16 ILE  MG2           7 TYR  HN          6.00    (#    116:10  Unique         5.39, 5.75 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#   16 ILE  MD1           7 TYR  HN          6.00    (#    117:10  Unique         4.53, 5.44 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  10-2:118      7 TYR  HN          4.30    (#    118:10  Single Ambig)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 277, 242,
 &end
#
#    6 GLN  HN            7 TYR  HN          6.00    (#    119:10  Unique         4.38, 4.43 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  98, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 THR  HN            7 TYR  HN          6.00    (#    120:10  Unique         4.62, 4.86 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 290, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HN            8 LYS  HN          6.00    (#    121:10  Unique         4.21, 4.30 A)
 &rst
  ixpk= 121, nxpk= 10, iat= 115, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  HN            8 LYS  HN          6.00    (#    122:10  Unique         5.03, 5.06 A)
 &rst
  ixpk= 122, nxpk= 10, iat= 256, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 THR  HN            8 LYS  HN          6.00    (#    123:10  Unique         4.93, 5.04 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 688, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASN  HN            8 LYS  HN          6.00    (#    124:10  Unique         4.16, 4.33 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 158, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HN            8 LYS  HN          6.00    (#    125:10  Unique         5.63, 5.77 A)
 &rst
  ixpk= 125, nxpk= 10, iat= 654, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 ALA  HN            8 LYS  HN          6.00    (#    127:10  Unique         4.93, 5.11 A)
 &rst
  ixpk= 127, nxpk= 10, iat= 678, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HD            8 LYS  HN          4.30    (#    128:10  Unique         4.27, 5.18 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 123, 132,
 &end
#
#   15 VAL  HA            8 LYS  HN          6.00    (#    129:10  Unique         4.80, 4.84 A)
 &rst
  ixpk= 129, nxpk= 10, iat= 242, 136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 LYS  HA            8 LYS  HN          4.30    (#    130:10  Unique         3.01, 3.02 A)
 &rst
  ixpk= 130, nxpk= 10, iat= 138, 136, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   41 TRP  HB+           8 LYS  HN          4.30    (#    131:10  Unique         2.86, 3.34 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#   41 TRP  HB-           8 LYS  HN          4.30    (#    132:10  Unique         2.86, 3.34 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#    0 AMB  10-2:133      8 LYS  HN          4.30    (#    133:10  Single Ambig)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 119, 120, 160,
 &end
#
#    7 TYR  HB-           8 LYS  HN          4.30    (#    134:10  Unique         3.30, 3.89 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 119, 120,
 &end
#
#    0 AMB  10-2:135      8 LYS  HN          6.00    (#    135:10  Single Ambig)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 149, 150, 149, 150,
 &end
#
#    0 AMB  10-2:136      8 LYS  HN          6.00    (#    136:10  Single Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 105, 106, 614,
 &end
#
#    8 LYS  HB+           8 LYS  HN          4.30    (#    137:10  Unique         2.59, 2.87 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 140, 141,
 &end
#
#    0 AMB  10-2:138      8 LYS  HN          4.30    (#    138:10  Single Ambig)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 146, 147, 146, 147, 260,
 &end
#
#    0 AMB  10-2:140      8 LYS  HN          4.30    (#    140:10  Single Ambig)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 143, 144, 176, 177,
 &end
#
#    0 AMB  10-2:141      8 LYS  HN          4.30    (#    141:10  Single Ambig)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 143, 144, 246, 247, 248, 250, 251, 252, 162, 163,
      
 &end
#
#    0 AMB  10-2:142      8 LYS  HN          4.30    (#    142:10  Single Ambig)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267,
 &end
#
#    8 LYS  HB-           8 LYS  HN          4.30    (#    143:10  Unique         2.59, 2.87 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 140, 141,
 &end
#
#    7 TYR  HA            8 LYS  HN          2.60    (#    144:10  Unique         2.16, 2.19 A)
 &rst
  ixpk= 144, nxpk= 10, iat= 117, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   16 ILE  HN            9 ASN  HN          6.00    (#    145:10  Unique         5.15, 5.34 A)
 &rst
  ixpk= 145, nxpk= 10, iat= 256, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HN            9 ASN  HN          6.00    (#    146:10  Unique         5.00, 5.05 A)
 &rst
  ixpk= 146, nxpk= 10, iat= 240, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 LYS  HN            9 ASN  HN          6.00    (#    147:10  Unique         4.16, 4.33 A)
 &rst
  ixpk= 147, nxpk= 10, iat= 136, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:148      9 ASN  HN          4.30    (#    148:10  Single Ambig)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 225, 673, 186,
 &end
#
#   29 TRP  HZ2           9 ASN  HN          6.00    (#    149:10  Unique         3.78, 3.96 A)
 &rst
  ixpk= 149, nxpk= 10, iat= 477, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HH2           9 ASN  HN          4.30    (#    150:10  Unique         2.45, 2.65 A)
 &rst
  ixpk= 150, nxpk= 10, iat= 479, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   12 THR  HN            9 ASN  HN          6.00    (#    151:10  Unique         5.08, 5.16 A)
 &rst
  ixpk= 151, nxpk= 10, iat= 204, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HA            9 ASN  HN          4.30    (#    152:10  Unique         3.38, 3.50 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 242, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    8 LYS  HA            9 ASN  HN          2.60    (#    153:10  Unique         2.12, 2.16 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 138, 158, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    9 ASN  HA            9 ASN  HN          4.30    (#    154:10  Unique         2.91, 2.95 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:155      9 ASN  HN          6.00    (#    155:10  Single Ambig)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 149, 150, 149, 150,
 &end
#
#    9 ASN  HB+           9 ASN  HN          4.30    (#    156:10  Unique         2.43, 2.57 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 162, 163,
 &end
#
#   14 GLU  HB-           9 ASN  HN          6.00    (#    157:10  Unique         3.80, 4.46 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#    0 AMB  10-2:158      9 ASN  HN          6.00    (#    158:10  Single Ambig)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 244, 105, 106, 614,
 &end
#
#    8 LYS  HB+           9 ASN  HN          4.30    (#    159:10  Unique         4.11, 4.34 A)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 140, 141,
 &end
#
#    0 AMB  10-2:160      9 ASN  HN          4.30    (#    160:10  Single Ambig)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 140, 141, 179, 180,
 &end
#
#    8 LYS  HG+           9 ASN  HN          4.30    (#    161:10  Unique         2.49, 3.39 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 143, 144,
 &end
#
#    0 AMB  10-2:162      9 ASN  HN          3.50    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 246, 247, 248, 250, 251, 252, 246, 247, 248, 250,
       251, 252,
 &end
#
#   10 PRO  HD-           9 ASN  HN          6.00    (#    163:10  Unique         4.19, 4.71 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#    0 AMB  10-2:165      9 ASN  HN          2.60    (#    165:10  Single Ambig)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 162, 163, 143, 144,
 &end
#
#   14 GLU  HB+           9 ASN  HN          6.00    (#    166:10  Unique         3.80, 4.46 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#    0 AMB  10-2:167      0 AMB  10-1:167    4.30    (#    167:10  Double Ambig)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 218, 561,
 igr2= 186, 520,
 &end
#
#    0 AMB  10-2:169      0 AMB  10-1:169    6.00    (#    169:10  Double Ambig)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 557, 479,
 &end
#
#   12 THR  HN           11 HIS  HN          4.30    (#    170:10  Unique         2.48, 2.55 A)
 &rst
  ixpk= 170, nxpk= 10, iat= 204, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   11 HIS  HA           11 HIS  HN          4.30    (#    173:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   10 PRO  HA           11 HIS  HN          6.00    (#    174:10  Unique         3.48, 3.51 A)
 &rst
  ixpk= 174, nxpk= 10, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASN  HA           11 HIS  HN          6.00    (#    175:10  Unique         3.61, 3.69 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 160, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 HIS  HB+          11 HIS  HN          4.30    (#    176:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 190, 191,
 &end
#
#   11 HIS  HB-          11 HIS  HN          4.30    (#    177:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 190, 191,
 &end
#
#    0 AMB  10-2:178      0 AMB  10-1:178    6.00    (#    178:10  Double Ambig)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 533, 534, 162, 163, 453, 454,
 igr2= 520, 186,
 &end
#
#   10 PRO  HD+          11 HIS  HN          6.00    (#    179:10  Unique         2.74, 3.68 A)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#   10 PRO  HG-          11 HIS  HN          6.00    (#    180:10  Unique         2.89, 3.96 A)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 176, 177,
 &end
#
#   32 LYS  HG-          32 LYS  HN          6.00    (#    181:10  Unique         2.40, 3.06 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 527, 528,
 &end
#
#   13 GLY  HN           12 THR  HN          2.60    (#    182:10  Unique         1.87, 1.89 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 218, 204, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:183     12 THR  HN          2.60    (#    183:10  Single Ambig)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 186, 225,
 &end
#
#   12 THR  HA           12 THR  HN          4.30    (#    185:10  Unique         3.01, 3.02 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 206, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   11 HIS  HA           12 THR  HN          4.30    (#    186:10  Unique         3.43, 3.45 A)
 &rst
  ixpk= 186, nxpk= 10, iat= 188, 204, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   13 GLY  HA+          12 THR  HN          6.00    (#    187:10  Unique         4.08, 4.39 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 220, 221,
 &end
#
#   10 PRO  HA           12 THR  HN          6.00    (#    188:10  Unique         3.94, 4.05 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 182, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLY  HA-          12 THR  HN          6.00    (#    189:10  Unique         4.08, 4.39 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 220, 221,
 &end
#
#    9 ASN  HA           12 THR  HN          6.00    (#    190:10  Unique         4.65, 4.74 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 160, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 HIS  HB+          12 THR  HN          4.30    (#    191:10  Unique         3.15, 3.72 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 190, 191,
 &end
#
#   11 HIS  HB-          12 THR  HN          4.30    (#    192:10  Unique         3.15, 3.72 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 190, 191,
 &end
#
#    9 ASN  HB+          12 THR  HN          6.00    (#    193:10  Unique         3.29, 4.11 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 162, 163,
 &end
#
#   12 THR  MG2          12 THR  HN          2.60    (#    194:10  Unique         2.67, 3.51 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 210, 211, 212,
 &end
#
#    9 ASN  HB-          12 THR  HN          6.00    (#    195:10  Unique         3.29, 4.11 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 162, 163,
 &end
#
#   14 GLU  HN           13 GLY  HN          4.30    (#    196:10  Unique         2.32, 2.36 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 225, 218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   12 THR  HN           13 GLY  HN          4.30    (#    197:10  Unique         1.87, 1.89 A)
 &rst
  ixpk= 197, nxpk= 10, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   12 THR  HA           13 GLY  HN          6.00    (#    198:10  Unique         3.49, 3.50 A)
 &rst
  ixpk= 198, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLY  HA+          13 GLY  HN          4.30    (#    199:10  Unique         2.38, 2.69 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 220, 221,
 &end
#
#   13 GLY  HA-          13 GLY  HN          4.30    (#    200:10  Unique         2.38, 2.69 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 220, 221,
 &end
#
#    0 AMB  10-2:201     13 GLY  HN          6.00    (#    201:10  Single Ambig)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 149, 150, 149, 150,
 &end
#
#    0 AMB  10-2:203     13 GLY  HN          4.30    (#    203:10  Single Ambig)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 210, 211, 212,
 &end
#
#   15 VAL  MGY          13 GLY  HN          6.00    (#    204:10  Unique         6.05, 8.00 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  10-2:205     13 GLY  HN          6.00    (#    205:10  Single Ambig)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 162, 163, 143, 144,
 &end
#
#    9 ASN  HN           14 GLU  HN          6.00    (#    206:10  Unique         3.71, 3.87 A)
 &rst
  ixpk= 206, nxpk= 10, iat= 158, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HN           14 GLU  HN          4.30    (#    207:10  Unique         4.60, 4.62 A)
 &rst
  ixpk= 207, nxpk= 10, iat= 240, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   13 GLY  HN           14 GLU  HN          4.30    (#    208:10  Unique         2.32, 2.36 A)
 &rst
  ixpk= 208, nxpk= 10, iat= 218, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HZ2          14 GLU  HN          4.30    (#    209:10  Unique         4.13, 4.30 A)
 &rst
  ixpk= 209, nxpk= 10, iat= 477, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HH2          14 GLU  HN          6.00    (#    210:10  Unique         4.90, 5.09 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 479, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HN           14 GLU  HN          6.00    (#    211:10  Unique         3.72, 3.76 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 204, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HA           14 GLU  HN          6.00    (#    212:10  Unique         4.32, 4.43 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 206, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HA           14 GLU  HN          4.30    (#    213:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 213, nxpk= 10, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   13 GLY  HA-          14 GLU  HN          4.30    (#    214:10  Unique         3.21, 3.34 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 220, 221,
 &end
#
#   14 GLU  HB+          14 GLU  HN          2.60    (#    215:10  Unique         2.29, 2.96 A)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 229, 230,
 &end
#
#    0 AMB  10-2:216     14 GLU  HN          2.60    (#    216:10  Single Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 232, 233, 232, 233,
 &end
#
#   14 GLU  HB-          14 GLU  HN          4.30    (#    217:10  Unique         2.29, 2.96 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 229, 230,
 &end
#
#    0 AMB  10-2:218     14 GLU  HN          4.30    (#    218:10  Single Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 210, 211, 212, 143, 144,
 &end
#
#    9 ASN  HB-          14 GLU  HN          4.30    (#    219:10  Unique         2.68, 3.73 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 162, 163,
 &end
#
#    0 AMB  10-2:220     14 GLU  HN          4.30    (#    220:10  Single Ambig)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267,
 &end
#
#   13 GLY  HA+          14 GLU  HN          4.30    (#    221:10  Unique         3.21, 3.34 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 220, 221,
 &end
#
#   12 THR  HB           14 GLU  HN          6.00    (#    222:10  Unique         3.21, 3.36 A)
 &rst
  ixpk= 222, nxpk= 10, iat= 208, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ILE  HN           15 VAL  HN          4.30    (#    223:10  Unique         4.35, 4.37 A)
 &rst
  ixpk= 223, nxpk= 10, iat= 256, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    9 ASN  HN           15 VAL  HN          6.00    (#    224:10  Unique         5.00, 5.05 A)
 &rst
  ixpk= 224, nxpk= 10, iat= 158, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HN           15 VAL  HN          4.30    (#    225:10  Unique         4.60, 4.62 A)
 &rst
  ixpk= 225, nxpk= 10, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HZ2          15 VAL  HN          6.00    (#    226:10  Unique         3.89, 4.04 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 477, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HH2          15 VAL  HN          6.00    (#    227:10  Unique         4.09, 4.23 A)
 &rst
  ixpk= 227, nxpk= 10, iat= 479, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 VAL  HA           15 VAL  HN          4.30    (#    228:10  Unique         2.95, 2.96 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 242, 240, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    8 LYS  HA           15 VAL  HN          6.00    (#    229:10  Unique         4.83, 4.89 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 138, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HA           15 VAL  HN          2.20    (#    230:10  Unique         2.22, 2.24 A)
 &rst
  ixpk= 230, nxpk= 10, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   14 GLU  HB+          15 VAL  HN          4.30    (#    231:10  Unique         2.68, 3.37 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 229, 230,
 &end
#
#    0 AMB  10-2:232     15 VAL  HN          3.50    (#    232:10  Single Ambig)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 232, 233, 232, 233,
 &end
#
#   14 GLU  HB-          15 VAL  HN          4.30    (#    233:10  Unique         2.68, 3.37 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 229, 230,
 &end
#
#   15 VAL  HB           15 VAL  HN          2.60    (#    234:10  Unique         2.67, 2.68 A)
 &rst
  ixpk= 234, nxpk= 10, iat= 244, 240, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:235     15 VAL  HN          6.00    (#    235:10  Single Ambig)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 146, 147, 146, 147, 260,
 &end
#
#    8 LYS  HG+          15 VAL  HN          6.00    (#    236:10  Unique         5.11, 6.22 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 143, 144,
 &end
#
#   15 VAL  MGX          15 VAL  HN          4.30    (#    237:10  Unique         2.75, 4.17 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  10-2:238     15 VAL  HN          6.00    (#    238:10  Single Ambig)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 400, 401, 402, 262, 263, 264,
 &end
#
#    7 TYR  HN           16 ILE  HN          4.30    (#    239:10  Unique         2.70, 2.76 A)
 &rst
  ixpk= 239, nxpk= 10, iat= 115, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    9 ASN  HN           16 ILE  HN          6.00    (#    240:10  Unique         5.15, 5.34 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 158, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 GLU  HN           16 ILE  HN          4.30    (#    241:10  Unique         4.33, 4.33 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 275, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   15 VAL  HN           16 ILE  HN          6.00    (#    242:10  Unique         4.35, 4.37 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HH2          16 ILE  HN          4.30    (#    243:10  Unique         3.34, 3.42 A)
 &rst
  ixpk= 243, nxpk= 10, iat= 479, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   15 VAL  HA           16 ILE  HN          2.60    (#    244:10  Unique         2.19, 2.21 A)
 &rst
  ixpk= 244, nxpk= 10, iat= 242, 256, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    8 LYS  HA           16 ILE  HN          4.30    (#    245:10  Unique         3.73, 3.78 A)
 &rst
  ixpk= 245, nxpk= 10, iat= 138, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HB+          16 ILE  HN          6.00    (#    247:10  Unique         3.49, 4.15 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    7 TYR  HB-          16 ILE  HN          6.00    (#    248:10  Unique         3.49, 4.15 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 119, 120,
 &end
#
#    0 AMB  10-2:249     16 ILE  HN          6.00    (#    249:10  Single Ambig)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 105, 106, 282, 283,
 &end
#
#    0 AMB  10-2:250     16 ILE  HN          6.00    (#    250:10  Single Ambig)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 282, 283, 102, 103, 229, 230,
 &end
#
#    0 AMB  10-2:251     16 ILE  HN          4.30    (#    251:10  Single Ambig)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 105, 106, 244,
 &end
#
#    0 AMB  10-2:252     16 ILE  HN          4.30    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 260, 146, 147,
 &end
#
#   16 ILE  HG1-         16 ILE  HN          4.30    (#    253:10  Unique         2.52, 2.99 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 266, 267,
 &end
#
#   15 VAL  MGX          16 ILE  HN          2.20    (#    254:10  Unique         2.27, 3.82 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  10-2:255     16 ILE  HN          4.30    (#    255:10  Single Ambig)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 262, 263, 264, 400, 401, 402,
 &end
#
#   16 ILE  MD1          16 ILE  HN          4.30    (#    256:10  Unique         4.66, 4.98 A)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  10-2:257     16 ILE  HN          2.60    (#    257:10  Single Ambig)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267,
 &end
#
#    7 TYR  HN           17 GLU  HN          6.00    (#    258:10  Unique         4.40, 4.51 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 115, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 THR  HN           17 GLU  HN          4.30    (#    259:10  Unique         4.10, 4.14 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 290, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   16 ILE  HN           17 GLU  HN          4.30    (#    260:10  Unique         4.33, 4.33 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 256, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   17 GLU  HA           17 GLU  HN          4.30    (#    262:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 277, 275, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   17 GLU  HG+          17 GLU  HN          4.30    (#    263:10  Unique         3.67, 4.12 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 282, 283,
 &end
#
#    0 AMB  10-2:264     17 GLU  HN          4.30    (#    264:10  Single Ambig)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 282, 283, 102, 103,
 &end
#
#   17 GLU  HB+          17 GLU  HN          2.60    (#    265:10  Unique         2.68, 3.22 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 279, 280,
 &end
#
#   17 GLU  HB-          17 GLU  HN          2.60    (#    266:10  Unique         2.68, 3.22 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 279, 280,
 &end
#
#   26 LEU  HB+          17 GLU  HN          6.00    (#    267:10  Unique         5.41, 6.63 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 412, 413,
 &end
#
#   16 ILE  HB           17 GLU  HN          2.60    (#    268:10  Unique         2.66, 2.67 A)
 &rst
  ixpk= 268, nxpk= 10, iat= 260, 275, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   16 ILE  HG1-         17 GLU  HN          4.30    (#    269:10  Unique         4.71, 4.75 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 266, 267,
 &end
#
#   18 THR  MG2          17 GLU  HN          6.00    (#    270:10  Unique         3.28, 4.21 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 296, 297, 298,
 &end
#
#   15 VAL  MGX          17 GLU  HN          6.00    (#    271:10  Unique         5.17, 7.42 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 246, 247, 248, 250, 251, 252,
 &end
#
#    0 AMB  10-2:272     17 GLU  HN          4.30    (#    272:10  Single Ambig)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 266, 267, 246, 247, 248, 250, 251, 252,  66,  67,
        68,  70,  71,  72,
 &end
#
#    4 VAL  MGX          17 GLU  HN          6.00    (#    273:10  Unique         5.65, 7.30 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#   16 ILE  MG2          17 GLU  HN          4.30    (#    274:10  Unique         1.85, 2.90 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 262, 263, 264,
 &end
#
#   16 ILE  MD1          17 GLU  HN          4.30    (#    275:10  Unique         4.91, 5.40 A)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 269, 270, 271,
 &end
#
#    7 TYR  HN           18 THR  HN          6.00    (#    276:10  Unique         4.62, 4.86 A)
 &rst
  ixpk= 276, nxpk= 10, iat= 115, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 GLN  HN           18 THR  HN          6.00    (#    277:10  Unique         4.89, 4.95 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  98, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 LYS  HN           18 THR  HN          4.30    (#    278:10  Unique         2.91, 3.03 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  76, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   17 GLU  HN           18 THR  HN          4.30    (#    279:10  Unique         4.10, 4.14 A)
 &rst
  ixpk= 279, nxpk= 10, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HD           18 THR  HN          6.00    (#    281:10  Unique         3.19, 5.42 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#    7 TYR  HE           18 THR  HN          6.00    (#    282:10  Unique         3.22, 5.54 A)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#    6 GLN  HA           18 THR  HN          4.30    (#    283:10  Unique         3.51, 3.56 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 100, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   18 THR  HA           18 THR  HN          4.30    (#    284:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 284, nxpk= 10, iat= 292, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   17 GLU  HA           18 THR  HN          2.20    (#    285:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 285, nxpk= 10, iat= 277, 290, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   18 THR  HB           18 THR  HN          4.30    (#    286:10  Unique         3.94, 3.98 A)
 &rst
  ixpk= 286, nxpk= 10, iat= 294, 290, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    4 VAL  HA           18 THR  HN          6.00    (#    287:10  Unique         4.29, 4.40 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  62, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 GLU  HG+          18 THR  HN          4.30    (#    288:10  Unique         3.96, 4.44 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 282, 283,
 &end
#
#    0 AMB  10-2:289     18 THR  HN          4.30    (#    289:10  Single Ambig)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 282, 283, 102, 103,
 &end
#
#   17 GLU  HB-          18 THR  HN          4.30    (#    290:10  Unique         3.29, 3.91 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 279, 280,
 &end
#
#   17 GLU  HB+          18 THR  HN          4.30    (#    291:10  Unique         3.29, 3.91 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 279, 280,
 &end
#
#    0 AMB  10-2:292     18 THR  HN          4.30    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  80,  81,
 &end
#
#    0 AMB  10-2:293     18 THR  HN          6.00    (#    293:10  Single Ambig)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 260, 728,
 &end
#
#    5 LYS  HB-          18 THR  HN          6.00    (#    294:10  Unique         4.00, 4.30 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  80,  81,
 &end
#
#   18 THR  MG2          18 THR  HN          2.60    (#    295:10  Unique         2.72, 3.49 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 296, 297, 298,
 &end
#
#    4 VAL  MGY          18 THR  HN          6.00    (#    296:10  Unique         2.79, 4.69 A)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#    4 VAL  MGX          18 THR  HN          2.60    (#    297:10  Unique         2.79, 4.69 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=  66,  67,  68,  70,  71,  72,
 &end
#
#   16 ILE  MG2          18 THR  HN          6.00    (#    298:10  Unique         5.47, 6.12 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 262, 263, 264,
 &end
#
#   16 ILE  MD1          18 THR  HN          6.00    (#    299:10  Unique         6.10, 7.19 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   18 THR  HN           19 LYS  HN          6.00    (#    300:10  Unique         4.43, 4.46 A)
 &rst
  ixpk= 300, nxpk= 10, iat= 290, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 GLY  HN           19 LYS  HN          4.30    (#    301:10  Unique         2.64, 2.84 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 326, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   18 THR  HA           19 LYS  HN          3.00    (#    302:10  Unique         2.48, 2.54 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 292, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 THR  HB           19 LYS  HN          4.30    (#    304:10  Unique         2.59, 2.86 A)
 &rst
  ixpk= 304, nxpk= 10, iat= 294, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:305     19 LYS  HN          6.00    (#    305:10  Single Ambig)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 317, 318, 317, 318,
 &end
#
#   19 LYS  HB+          19 LYS  HN          4.30    (#    306:10  Unique         2.41, 3.22 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 308, 309,
 &end
#
#    0 AMB  10-2:307     19 LYS  HN          6.00    (#    307:10  Single Ambig)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 314, 315, 314, 315,
 &end
#
#   19 LYS  HB-          19 LYS  HN          4.30    (#    308:10  Unique         2.41, 3.22 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 308, 309,
 &end
#
#   19 LYS  HG+          19 LYS  HN          4.30    (#    309:10  Unique         2.71, 3.49 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 311, 312,
 &end
#
#   19 LYS  HG-          19 LYS  HN          6.00    (#    310:10  Unique         2.71, 3.49 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 311, 312,
 &end
#
#   18 THR  MG2          19 LYS  HN          6.00    (#    311:10  Unique         4.67, 4.94 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 296, 297, 298,
 &end
#
#   19 LYS  HN           20 GLY  HN          4.30    (#    312:10  Unique         2.64, 2.84 A)
 &rst
  ixpk= 312, nxpk= 10, iat= 304, 326, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:316     20 GLY  HN          2.60    (#    316:10  Single Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 328, 329, 328, 329,
 &end
#
#   18 THR  HB           20 GLY  HN          5.50    (#    317:10  Unique         3.71, 4.12 A)
 &rst
  ixpk= 317, nxpk= 10, iat= 294, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 LYS  HB+          20 GLY  HN          5.50    (#    319:10  Unique         4.25, 4.42 A)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 308, 309,
 &end
#
#   19 LYS  HB-          20 GLY  HN          5.50    (#    320:10  Unique         4.25, 4.42 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 308, 309,
 &end
#
#   18 THR  MG2          20 GLY  HN          5.50    (#    323:10  Single Ambig)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 296, 297, 298,
 &end
#
#    0 AMB  10-2:327     21 GLY  HN          4.30    (#    327:10  Single Ambig)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 328, 329, 328, 329, 335, 336,
 &end
#
#   21 GLY  HA-          21 GLY  HN          5.50    (#    328:10  Unique         2.58, 2.81 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 336,
 &end
#
#   21 GLY  HA+          22 ASN  HN          4.30    (#    329:10  Unique         2.25, 2.54 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 335, 336,
 &end
#
#   21 GLY  HA-          22 ASN  HN          5.50    (#    330:10  Unique         2.25, 2.54 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 336,
 &end
#
#   22 ASN  HB+          22 ASN  HN          4.30    (#    331:10  Unique         2.40, 2.64 A)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 344, 345,
 &end
#
#   22 ASN  HB-          22 ASN  HN          6.00    (#    332:10  Unique         2.40, 2.64 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 344, 345,
 &end
#
#    0 AMB  10-2:333     22 ASN  HN          6.00    (#    333:10  Single Ambig)
 &rst
  ixpk= 333, nxpk= 10, iat= 354, 340, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 ASN  HB+          22 ASN  HD2+        4.30    (#    341:10  Unique         2.24, 3.18 A)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#   22 ASN  HB+          22 ASN  HD2-        4.30    (#    342:10  Unique         2.24, 3.18 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#   22 ASN  HB-          22 ASN  HD2-        4.30    (#    343:10  Unique         2.24, 3.18 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#   22 ASN  HB-          22 ASN  HD2+        6.00    (#    344:10  Unique         2.24, 3.18 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 344, 345,
 igr2= 349, 350,
 &end
#
#   26 LEU  HB+          23 HIS  HN          6.00    (#    348:10  Unique         2.36, 3.54 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 412, 413,
 &end
#
#    0 AMB  10-2:349     23 HIS  HN          4.30    (#    349:10  Single Ambig)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 358, 359, 358, 359,
 &end
#
#   23 HIS  HA           23 HIS  HN          6.00    (#    352:10  Unique         2.88, 2.97 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  HN           24 LYS  HN          6.00    (#    353:10  Unique         3.13, 3.23 A)
 &rst
  ixpk= 353, nxpk= 10, iat= 394, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 HIS  HA           24 LYS  HN          4.30    (#    355:10  Unique         2.21, 2.26 A)
 &rst
  ixpk= 355, nxpk= 10, iat= 356, 372, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   24 LYS  HA           24 LYS  HN          4.30    (#    359:10  Unique         2.70, 2.78 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:360     24 LYS  HN          6.00    (#    360:10  Single Ambig)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359, 358, 359,
 &end
#
#    0 AMB  10-2:361     24 LYS  HN          4.30    (#    361:10  Single Ambig)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 382, 383, 382, 383,
 &end
#
#   24 LYS  HB-          24 LYS  HN          4.30    (#    362:10  Unique         2.19, 2.59 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 376, 377,
 &end
#
#   24 LYS  HB+          24 LYS  HN          4.30    (#    363:10  Unique         2.19, 2.59 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 376, 377,
 &end
#
#   24 LYS  HG+          24 LYS  HN          6.00    (#    364:10  Unique         2.37, 4.16 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   24 LYS  HG-          24 LYS  HN          6.00    (#    365:10  Unique         2.37, 4.16 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   24 LYS  HN           25 THR  HN          4.30    (#    366:10  Unique         3.13, 3.23 A)
 &rst
  ixpk= 366, nxpk= 10, iat= 372, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   27 LYS  HN           25 THR  HN          4.30    (#    367:10  Unique         4.17, 4.23 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 427, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   26 LEU  HN           25 THR  HN          4.30    (#    368:10  Unique         2.76, 2.87 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 408, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HN           25 THR  HN          6.00    (#    369:10  Unique         4.61, 4.64 A)
 &rst
  ixpk= 369, nxpk= 10, iat= 449, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 HIS  HD2          25 THR  HN          4.30    (#    370:10  Unique)
 &rst
  ixpk= 370, nxpk= 10, iat= 368, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:371     25 THR  HN          6.00    (#    371:10  Single Ambig)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359, 358, 359,
 &end
#
#   23 HIS  HA           25 THR  HN          6.00    (#    372:10  Unique         4.50, 4.69 A)
 &rst
  ixpk= 372, nxpk= 10, iat= 356, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:373     25 THR  HN          4.30    (#    373:10  Single Ambig)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 396, 374,
 &end
#
#   25 THR  HB           25 THR  HN          4.30    (#    374:10  Unique         2.59, 2.66 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 398, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   24 LYS  HB-          25 THR  HN          4.30    (#    375:10  Unique         2.40, 3.19 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 376, 377,
 &end
#
#   24 LYS  HG+          25 THR  HN          6.00    (#    376:10  Unique         3.64, 4.51 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   26 LEU  HB-          25 THR  HN          6.00    (#    377:10  Unique         4.97, 5.15 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 412, 413,
 &end
#
#   24 LYS  HG-          25 THR  HN          6.00    (#    378:10  Unique         3.64, 4.51 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#    0 AMB  10-2:379     25 THR  HN          4.30    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 262, 263, 264, 400, 401, 402,
 &end
#
#   16 ILE  MD1          25 THR  HN          6.00    (#    380:10  Unique         4.35, 5.52 A)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   25 THR  HN           26 LEU  HN          4.30    (#    381:10  Unique         2.76, 2.87 A)
 &rst
  ixpk= 381, nxpk= 10, iat= 394, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   27 LYS  HN           26 LEU  HN          4.30    (#    382:10  Unique         2.56, 2.64 A)
 &rst
  ixpk= 382, nxpk= 10, iat= 427, 408, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:383     26 LEU  HN          6.00    (#    383:10  Single Ambig)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 396, 429,
 &end
#
#   25 THR  HB           26 LEU  HN          6.00    (#    384:10  Unique         2.71, 2.78 A)
 &rst
  ixpk= 384, nxpk= 10, iat= 398, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HA           26 LEU  HN          6.00    (#    385:10  Unique         2.87, 2.88 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HB+          26 LEU  HN          4.30    (#    386:10  Unique         2.38, 2.50 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 412, 413,
 &end
#
#    0 AMB  10-2:387     26 LEU  HN          4.30    (#    387:10  Single Ambig)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 415, 266, 267,
 &end
#
#   26 LEU  HB-          26 LEU  HN          4.30    (#    388:10  Unique         2.38, 2.50 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 412, 413,
 &end
#
#    0 AMB  10-2:389     26 LEU  HN          6.00    (#    389:10  Single Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 262, 263, 264, 400, 401, 402,
 &end
#
#   26 LEU  MDX          26 LEU  HN          6.00    (#    390:10  Unique         4.63, 5.20 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDY          26 LEU  HN          6.00    (#    391:10  Unique         4.63, 5.20 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1          26 LEU  HN          6.00    (#    392:10  Unique         2.59, 3.47 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   29 TRP  HN           27 LYS  HN          6.00    (#    393:10  Unique         4.09, 4.19 A)
 &rst
  ixpk= 393, nxpk= 10, iat= 464, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  HN           27 LYS  HN          6.00    (#    394:10  Unique         4.17, 4.23 A)
 &rst
  ixpk= 394, nxpk= 10, iat= 394, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           27 LYS  HN          4.30    (#    395:10  Unique         2.56, 2.64 A)
 &rst
  ixpk= 395, nxpk= 10, iat= 408, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HN           27 LYS  HN          4.30    (#    396:10  Unique         2.68, 2.70 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 449, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HA           27 LYS  HN          6.00    (#    397:10  Unique         5.20, 5.22 A)
 &rst
  ixpk= 397, nxpk= 10, iat= 451, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:398     27 LYS  HN          4.30    (#    398:10  Single Ambig)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 429, 374, 396,
 &end
#
#    0 AMB  10-2:399     27 LYS  HN          6.00    (#    399:10  Single Ambig)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 398, 468, 469, 490,
 &end
#
#   26 LEU  HA           27 LYS  HN          6.00    (#    400:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 400, nxpk= 10, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:401     27 LYS  HN          6.00    (#    401:10  Single Ambig)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 440, 441,
 &end
#
#    0 AMB  10-2:402     27 LYS  HN          4.30    (#    402:10  Single Ambig)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 358, 359, 358, 359,
 &end
#
#    0 AMB  10-2:403     27 LYS  HN          6.00    (#    403:10  Single Ambig)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 457,
 &end
#
#   28 GLU  HB+          27 LYS  HN          6.00    (#    404:10  Unique         4.82, 5.56 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 453, 454,
 &end
#
#    0 AMB  10-2:405     27 LYS  HN          6.00    (#    405:10  Single Ambig)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 456, 457, 453, 454,
 &end
#
#    0 AMB  10-2:406     27 LYS  HN          2.60    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  10-2:407     27 LYS  HN          4.30    (#    407:10  Single Ambig)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 437, 438, 492, 493,
 &end
#
#    0 AMB  10-2:408     27 LYS  HN          4.30    (#    408:10  Single Ambig)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 412, 413, 437, 438, 434, 435,
 &end
#
#    0 AMB  10-2:409     27 LYS  HN          4.30    (#    409:10  Single Ambig)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 434, 435,
 &end
#
#   26 LEU  HG           27 LYS  HN          6.00    (#    410:10  Unique         3.92, 4.24 A)
 &rst
  ixpk= 410, nxpk= 10, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HB-          27 LYS  HN          4.30    (#    411:10  Unique         2.53, 3.32 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 412, 413,
 &end
#
#    0 AMB  10-2:412     27 LYS  HN          6.00    (#    412:10  Single Ambig)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 400, 401, 402, 262, 263, 264, 618, 619, 620, 622,
       623, 624,
 &end
#
#   26 LEU  MDX          27 LYS  HN          6.00    (#    413:10  Unique         3.63, 5.45 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDY          27 LYS  HN          6.00    (#    414:10  Unique         3.63, 5.45 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   16 ILE  MD1          27 LYS  HN          6.00    (#    415:10  Unique         4.87, 5.57 A)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   29 TRP  HN           28 GLU  HN          2.60    (#    416:10  Unique         2.64, 2.65 A)
 &rst
  ixpk= 416, nxpk= 10, iat= 464, 449, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   30 LYS  HN           28 GLU  HN          6.00    (#    417:10  Unique         4.08, 4.13 A)
 &rst
  ixpk= 417, nxpk= 10, iat= 488, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 LYS  HN           28 GLU  HN          2.60    (#    418:10  Unique         2.68, 2.70 A)
 &rst
  ixpk= 418, nxpk= 10, iat= 427, 449, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   31 ALA  HN           28 GLU  HN          6.00    (#    419:10  Unique         4.58, 4.61 A)
 &rst
  ixpk= 419, nxpk= 10, iat= 510, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HA           28 GLU  HN          2.80    (#    421:10  Unique         2.80, 2.81 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 451, 449, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:423     28 GLU  HN          4.30    (#    423:10  Single Ambig)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 396, 429,
 &end
#
#    0 AMB  10-2:424     28 GLU  HN          4.30    (#    424:10  Single Ambig)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 468, 469, 398, 490,
 &end
#
#   26 LEU  HA           28 GLU  HN          6.00    (#    425:10  Unique         4.26, 4.32 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 410, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HG+          28 GLU  HN          2.60    (#    428:10  Unique         2.54, 3.15 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 456, 457,
 &end
#
#   28 GLU  HB+          28 GLU  HN          2.60    (#    429:10  Unique         2.34, 2.99 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 453, 454,
 &end
#
#    0 AMB  10-2:430     28 GLU  HN          2.60    (#    430:10  Single Ambig)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 453, 454, 456, 457,
 &end
#
#    0 AMB  10-2:431     28 GLU  HN          2.60    (#    431:10  Single Ambig)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  10-2:432     28 GLU  HN          4.30    (#    432:10  Single Ambig)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 437, 438, 434, 435,
 &end
#
#   25 THR  MG2          28 GLU  HN          4.30    (#    435:10  Unique         4.89, 5.55 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 400, 401, 402,
 &end
#
#    0 AMB  10-2:436     28 GLU  HN          6.00    (#    436:10  Single Ambig)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 437, 438,
 &end
#
#   25 THR  HN           28 GLU  HN          6.00    (#    437:10  Unique         4.61, 4.64 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 394, 449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HE1          29 TRP  HN          6.00    (#    439:10  Unique         4.64, 4.68 A)
 &rst
  ixpk= 439, nxpk= 10, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HN           29 TRP  HN          4.30    (#    440:10  Unique         2.65, 2.72 A)
 &rst
  ixpk= 440, nxpk= 10, iat= 488, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   27 LYS  HN           29 TRP  HN          6.00    (#    441:10  Unique         4.09, 4.19 A)
 &rst
  ixpk= 441, nxpk= 10, iat= 427, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HN           29 TRP  HN          6.00    (#    442:10  Unique         3.94, 4.03 A)
 &rst
  ixpk= 442, nxpk= 10, iat= 510, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 GLU  HN           29 TRP  HN          4.30    (#    443:10  Unique         2.64, 2.65 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HD1          29 TRP  HN          4.30    (#    444:10  Unique         2.62, 2.67 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 472, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   29 TRP  HA           29 TRP  HN          4.30    (#    445:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 445, nxpk= 10, iat= 466, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HA           29 TRP  HN          4.30    (#    446:10  Unique         3.54, 3.55 A)
 &rst
  ixpk= 446, nxpk= 10, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:447     29 TRP  HN          4.30    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 396, 429,
 &end
#
#   29 TRP  HB+          29 TRP  HN          4.30    (#    448:10  Unique         2.46, 3.05 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 468, 469,
 &end
#
#   29 TRP  HB-          29 TRP  HN          4.30    (#    449:10  Unique         2.46, 3.05 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 468, 469,
 &end
#
#   26 LEU  HA           29 TRP  HN          4.30    (#    450:10  Unique         3.23, 3.37 A)
 &rst
  ixpk= 450, nxpk= 10, iat= 410, 464, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HG+          29 TRP  HN          4.30    (#    451:10  Unique         4.59, 4.87 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 456, 457,
 &end
#
#    0 AMB  10-2:452     29 TRP  HN          4.30    (#    452:10  Single Ambig)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 453, 454, 533, 534,
 &end
#
#   28 GLU  HB-          29 TRP  HN          4.30    (#    453:10  Unique         2.72, 3.21 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 453, 454,
 &end
#
#   30 LYS  HB+          29 TRP  HN          6.00    (#    454:10  Unique         4.85, 5.09 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 492, 493,
 &end
#
#    0 AMB  10-2:455     29 TRP  HN          6.00    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 492, 493, 616,
 &end
#
#   31 ALA  MB           29 TRP  HN          6.00    (#    456:10  Unique         5.00, 5.88 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#    0 AMB  10-2:457     29 TRP  HN          6.00    (#    457:10  Single Ambig)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 524, 525, 495, 496, 412, 413,
 &end
#
#    0 AMB  10-2:458     29 TRP  HN          6.00    (#    458:10  Single Ambig)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 618, 619, 620, 622, 623, 624, 530, 531,
 &end
#
#    0 AMB  10-2:459     29 TRP  HN          4.30    (#    459:10  Single Ambig)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 400, 401, 402, 618, 619, 620, 622, 623, 624,
 &end
#
#    0 AMB  10-2:460     29 TRP  HN          6.00    (#    460:10  Single Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 417, 418, 419, 421, 422, 423, 527, 528,
 &end
#
#    0 AMB  10-2:461     29 TRP  HN          6.00    (#    461:10  Single Ambig)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 495, 496,
 &end
#
#    0 AMB  10-2:462     29 TRP  HN          6.00    (#    462:10  Single Ambig)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 412, 413, 498, 499,
 &end
#
#   29 TRP  HN           30 LYS  HN          4.30    (#    463:10  Unique         2.65, 2.72 A)
 &rst
  ixpk= 463, nxpk= 10, iat= 464, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   33 TRP  HE3          30 LYS  HN          6.00    (#    464:10  Unique         4.96, 5.02 A)
 &rst
  ixpk= 464, nxpk= 10, iat= 561, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HN           30 LYS  HN          4.30    (#    465:10  Unique         2.66, 2.69 A)
 &rst
  ixpk= 465, nxpk= 10, iat= 510, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLU  HN           30 LYS  HN          6.00    (#    466:10  Unique         4.08, 4.13 A)
 &rst
  ixpk= 466, nxpk= 10, iat= 449, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:467     30 LYS  HN          4.30    (#    467:10  Single Ambig)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 520, 566,
 &end
#
#   29 TRP  HA           30 LYS  HN          6.00    (#    468:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 468, nxpk= 10, iat= 466, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:469     30 LYS  HN          6.00    (#    469:10  Single Ambig)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 451, 512,
 &end
#
#   35 PRO  HA           30 LYS  HN          6.00    (#    470:10  Unique)
 &rst
  ixpk= 470, nxpk= 10, iat= 583, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 LYS  HA           30 LYS  HN          4.30    (#    471:10  Unique         3.31, 3.45 A)
 &rst
  ixpk= 471, nxpk= 10, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:472     30 LYS  HN          4.30    (#    472:10  Single Ambig)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 468, 469, 490,
 &end
#
#   29 TRP  HB-          30 LYS  HN          4.30    (#    473:10  Unique         2.52, 3.11 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 468, 469,
 &end
#
#   26 LEU  HA           30 LYS  HN          6.00    (#    474:10  Unique         3.84, 3.98 A)
 &rst
  ixpk= 474, nxpk= 10, iat= 410, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:475     30 LYS  HN          6.00    (#    475:10  Single Ambig)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   30 LYS  HE-          30 LYS  HN          6.00    (#    476:10  Unique         4.48, 5.06 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   28 GLU  HB+          30 LYS  HN          6.00    (#    477:10  Unique         5.19, 5.46 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 453, 454,
 &end
#
#   28 GLU  HB-          30 LYS  HN          6.00    (#    478:10  Unique         5.19, 5.46 A)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 453, 454,
 &end
#
#   30 LYS  HB+          30 LYS  HN          2.60    (#    479:10  Unique         2.38, 2.63 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 492, 493,
 &end
#
#   30 LYS  HG+          30 LYS  HN          4.30    (#    480:10  Unique         2.53, 4.13 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 495, 496,
 &end
#
#   30 LYS  HB-          30 LYS  HN          4.30    (#    481:10  Unique         2.38, 2.63 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 492, 493,
 &end
#
#   31 ALA  MB           30 LYS  HN          4.30    (#    482:10  Unique         4.81, 5.38 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 514, 515, 516,
 &end
#
#    0 AMB  10-2:484     30 LYS  HN          6.00    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 415, 530, 531,
 &end
#
#   30 LYS  HG-          30 LYS  HN          4.30    (#    485:10  Unique         2.53, 4.13 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          30 LYS  HN          4.30    (#    486:10  Unique         2.81, 4.39 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          30 LYS  HN          4.30    (#    487:10  Unique         2.81, 4.39 A)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   26 LEU  MDX          30 LYS  HN          6.00    (#    488:10  Unique         3.64, 5.77 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   26 LEU  MDY          30 LYS  HN          6.00    (#    489:10  Unique         3.64, 5.77 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 417, 418, 419, 421, 422, 423,
 &end
#
#   30 LYS  HB-          30 LYS  HN          4.30    (#    490:10  Unique         2.38, 2.63 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 492, 493,
 &end
#
#   29 TRP  HN           31 ALA  HN          4.30    (#    491:10  Unique         3.94, 4.03 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 464, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   30 LYS  HN           31 ALA  HN          4.30    (#    492:10  Unique         2.66, 2.69 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 488, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   33 TRP  HN           31 ALA  HN          4.30    (#    493:10  Unique         4.10, 4.22 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 542, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   32 LYS  HN           31 ALA  HN          2.60    (#    494:10  Unique         2.59, 2.61 A)
 &rst
  ixpk= 494, nxpk= 10, iat= 520, 510, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   29 TRP  HA           31 ALA  HN          6.00    (#    495:10  Unique         4.09, 4.19 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 466, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:497     31 ALA  HN          2.60    (#    497:10  Single Ambig)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 512, 451,
 &end
#
#   32 LYS  HA           31 ALA  HN          6.00    (#    498:10  Unique)
 &rst
  ixpk= 498, nxpk= 10, iat= 522, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 LYS  HA           31 ALA  HN          4.30    (#    499:10  Unique         3.95, 4.03 A)
 &rst
  ixpk= 499, nxpk= 10, iat= 429, 510, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:500     31 ALA  HN          4.30    (#    500:10  Single Ambig)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 490, 468, 469,
 &end
#
#    0 AMB  10-2:502     31 ALA  HN          6.00    (#    502:10  Single Ambig)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534, 456, 457,
 &end
#
#    0 AMB  10-2:503     31 ALA  HN          6.00    (#    503:10  Single Ambig)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 453, 454, 533, 534,
 &end
#
#    0 AMB  10-2:504     31 ALA  HN          6.00    (#    504:10  Single Ambig)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 453, 454, 456, 457, 580, 581,
 &end
#
#   30 LYS  HB+          31 ALA  HN          4.30    (#    505:10  Unique         2.71, 3.40 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 492, 493,
 &end
#
#    0 AMB  10-2:506     31 ALA  HN          4.30    (#    506:10  Single Ambig)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 495, 496, 431, 432, 431, 432,
 &end
#
#   30 LYS  HB-          31 ALA  HN          4.30    (#    507:10  Unique         2.71, 3.40 A)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 492, 493,
 &end
#
#   31 ALA  MB           31 ALA  HN          2.20    (#    509:10  Unique         2.39, 2.86 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 514, 515, 516,
 &end
#
#    0 AMB  10-2:510     31 ALA  HN          4.30    (#    510:10  Single Ambig)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 495, 496, 524, 525,
 &end
#
#   38 VAL  MGX          31 ALA  HN          6.00    (#    512:10  Unique         5.06, 6.37 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   32 LYS  HG-          31 ALA  HN          6.00    (#    513:10  Unique         4.59, 5.44 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 527, 528,
 &end
#
#   32 LYS  HB-          31 ALA  HN          4.30    (#    514:10  Unique         4.48, 5.25 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 524, 525,
 &end
#
#   29 TRP  HN           32 LYS  HN          6.00    (#    516:10  Unique         4.62, 4.66 A)
 &rst
  ixpk= 516, nxpk= 10, iat= 464, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HN           32 LYS  HN          6.00    (#    517:10  Unique         4.34, 4.39 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 488, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 TRP  HN           32 LYS  HN          4.30    (#    518:10  Unique         2.90, 2.97 A)
 &rst
  ixpk= 518, nxpk= 10, iat= 542, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   33 TRP  HE3           0 AMB  10-1:519    4.30    (#    519:10  Single Ambig)
 &rst
  ixpk= 519, nxpk= 10, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 520, 186,
 &end
#
#   31 ALA  HN           32 LYS  HN          2.60    (#    520:10  Unique         2.59, 2.61 A)
 &rst
  ixpk= 520, nxpk= 10, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   29 TRP  HA           32 LYS  HN          6.00    (#    521:10  Unique         3.37, 3.41 A)
 &rst
  ixpk= 521, nxpk= 10, iat= 466, 520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:523     32 LYS  HN          4.30    (#    523:10  Single Ambig)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 512, 451,
 &end
#
#   32 LYS  HA           32 LYS  HN          2.60    (#    524:10  Unique         2.69, 2.70 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   10 PRO  HA           11 HIS  HN          6.00    (#    525:10  Unique         3.48, 3.51 A)
 &rst
  ixpk= 525, nxpk= 10, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:526     32 LYS  HN          6.00    (#    526:10  Single Ambig)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 490, 468, 469,
 &end
#
#   11 HIS  HB+          11 HIS  HN          6.00    (#    527:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 190, 191,
 &end
#
#    0 AMB  10-2:528      0 AMB  10-1:528    2.20    (#    528:10  Double Ambig)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1= 514, 515, 516, 179, 180,
 igr2= 520, 186,
 &end
#
#   32 LYS  HB+          32 LYS  HN          2.60    (#    529:10  Unique         2.27, 2.92 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 524, 525,
 &end
#
#   32 LYS  HD+          32 LYS  HN          4.30    (#    530:10  Unique         3.82, 4.28 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 530, 531,
 &end
#
#    0 AMB  10-2:531      0 AMB  10-1:531    2.60    (#    531:10  Double Ambig)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 524, 525, 176, 177,
 igr2= 520, 186,
 &end
#
#    0 AMB  10-2:532      0 AMB  10-1:532    6.00    (#    532:10  Double Ambig)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 530, 531, 162, 163, 618, 619, 620, 622, 623, 624,
      
 igr2= 520, 186,
 &end
#
#    0 AMB  10-2:533      0 AMB  10-1:533    4.30    (#    533:10  Double Ambig)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 527, 528, 173, 174,
 igr2= 520, 186,
 &end
#
#   38 VAL  MGX          32 LYS  HN          6.00    (#    534:10  Unique         6.02, 7.48 A)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   32 LYS  HG-          32 LYS  HN          4.30    (#    535:10  Unique         2.40, 3.06 A)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 527, 528,
 &end
#
#   33 TRP  HE3          33 TRP  HN          4.30    (#    536:10  Unique         2.91, 2.96 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 561, 542, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   31 ALA  HN           33 TRP  HN          6.00    (#    537:10  Unique         4.10, 4.22 A)
 &rst
  ixpk= 537, nxpk= 10, iat= 510, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:538     33 TRP  HN          2.60    (#    538:10  Single Ambig)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 566, 520,
 &end
#
#   33 TRP  HD1          33 TRP  HN          6.00    (#    539:10  Unique         5.12, 5.16 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 550, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HA           33 TRP  HN          6.00    (#    540:10  Unique         3.62, 3.69 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 466, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA+          33 TRP  HN          6.00    (#    541:10  Unique         4.17, 4.54 A)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 569,
 &end
#
#   34 GLY  HA-          33 TRP  HN          6.00    (#    542:10  Unique         4.17, 4.54 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 569,
 &end
#
#    0 AMB  10-2:543     33 TRP  HN          6.00    (#    543:10  Single Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 512, 451,
 &end
#
#   32 LYS  HA           33 TRP  HN          4.30    (#    544:10  Unique         3.51, 3.53 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 522, 542, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:545     33 TRP  HN          6.00    (#    545:10  Single Ambig)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 490, 468, 469,
 &end
#
#   33 TRP  HB+          33 TRP  HN          4.30    (#    546:10  Unique         2.65, 3.25 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 546, 547,
 &end
#
#   33 TRP  HB-          33 TRP  HN          4.30    (#    547:10  Unique         2.65, 3.25 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 546, 547,
 &end
#
#   31 ALA  MB           33 TRP  HN          6.00    (#    548:10  Unique         4.90, 5.53 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#   32 LYS  HD+          33 TRP  HN          6.00    (#    550:10  Unique         5.28, 5.98 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 530, 531,
 &end
#
#   32 LYS  HB-          33 TRP  HN          4.30    (#    551:10  Unique         2.87, 3.25 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 524, 525,
 &end
#
#    0 AMB  10-2:552     33 TRP  HN          6.00    (#    552:10  Single Ambig)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 618, 619, 620, 622, 623, 624, 530, 531,
 &end
#
#   32 LYS  HG+          33 TRP  HN          6.00    (#    553:10  Unique         4.74, 4.98 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 527, 528,
 &end
#
#   38 VAL  MGX          33 TRP  HN          6.00    (#    554:10  Unique         4.60, 6.21 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   32 LYS  HG-          33 TRP  HN          6.00    (#    555:10  Unique         4.74, 4.98 A)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 527, 528,
 &end
#
#   33 TRP  HN           34 GLY  HN          2.60    (#    556:10  Unique         2.28, 2.33 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 542, 566, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   36 GLU  HN           34 GLY  HN          6.00    (#    557:10  Unique         5.46, 5.54 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 587, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 TRP  HE3          34 GLY  HN          6.00    (#    558:10  Unique         3.83, 3.97 A)
 &rst
  ixpk= 558, nxpk= 10, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HN           34 GLY  HN          6.00    (#    559:10  Unique         4.76, 4.93 A)
 &rst
  ixpk= 559, nxpk= 10, iat= 510, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA+          34 GLY  HN          2.60    (#    561:10  Unique         2.62, 2.82 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 568, 569,
 &end
#
#    0 AMB  10-2:562     34 GLY  HN          6.00    (#    562:10  Single Ambig)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 512, 451,
 &end
#
#   34 GLY  HA-          34 GLY  HN          4.30    (#    563:10  Unique         2.62, 2.82 A)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 568, 569,
 &end
#
#    0 AMB  10-2:564     34 GLY  HN          4.30    (#    564:10  Single Ambig)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 574, 575, 604,
 &end
#
#   30 LYS  HA           34 GLY  HN          4.30    (#    565:10  Unique         2.73, 2.79 A)
 &rst
  ixpk= 565, nxpk= 10, iat= 490, 566, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   35 PRO  HD-          34 GLY  HN          4.30    (#    566:10  Unique         4.43, 4.71 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 574, 575,
 &end
#
#   33 TRP  HB+          34 GLY  HN          6.00    (#    567:10  Unique         2.34, 2.98 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 546, 547,
 &end
#
#   33 TRP  HB-          34 GLY  HN          4.30    (#    568:10  Unique         2.34, 2.98 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 546, 547,
 &end
#
#    0 AMB  10-2:569     34 GLY  HN          6.00    (#    569:10  Single Ambig)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 577, 578, 591, 592,
 &end
#
#   38 VAL  HA           34 GLY  HN          6.00    (#    570:10  Unique         5.99, 6.01 A)
 &rst
  ixpk= 570, nxpk= 10, iat= 614, 566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HB-          34 GLY  HN          6.00    (#    571:10  Unique         5.09, 5.45 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 492, 493,
 &end
#
#   31 ALA  MB           34 GLY  HN          6.00    (#    572:10  Unique         6.33, 6.85 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 514, 515, 516,
 &end
#
#   37 ALA  MB           34 GLY  HN          6.00    (#    573:10  Unique         3.32, 4.16 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#    0 AMB  10-2:574     34 GLY  HN          6.00    (#    574:10  Single Ambig)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 495, 496, 524, 525,
 &end
#
#   38 VAL  MGX          34 GLY  HN          4.30    (#    576:10  Unique         3.08, 4.78 A)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   37 ALA  HN           36 GLU  HN          2.60    (#    577:10  Unique         2.51, 2.55 A)
 &rst
  ixpk= 577, nxpk= 10, iat= 602, 587, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   39 GLU  HN           36 GLU  HN          6.00    (#    578:10  Unique         4.82, 4.84 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 628, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:579     36 GLU  HN          6.00    (#    579:10  Single Ambig)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 643,
 &end
#
#   38 VAL  HN           36 GLU  HN          6.00    (#    580:10  Unique         4.39, 4.43 A)
 &rst
  ixpk= 580, nxpk= 10, iat= 612, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA+          36 GLU  HN          4.30    (#    581:10  Unique         3.44, 3.94 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 568, 569,
 &end
#
#   34 GLY  HA-          36 GLU  HN          6.00    (#    582:10  Unique         3.44, 3.94 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 569,
 &end
#
#   36 GLU  HA           36 GLU  HN          2.80    (#    583:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 583, nxpk= 10, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 PRO  HD-          36 GLU  HN          4.30    (#    584:10  Unique         2.91, 3.52 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 574, 575,
 &end
#
#   39 GLU  HG+          36 GLU  HN          6.00    (#    586:10  Unique         5.47, 6.28 A)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 635, 636,
 &end
#
#   36 GLU  HG+          36 GLU  HN          2.60    (#    587:10  Unique         1.82, 2.30 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 594, 595,
 &end
#
#   36 GLU  HG-          36 GLU  HN          2.20    (#    588:10  Unique         1.82, 2.30 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 594, 595,
 &end
#
#   35 PRO  HG+          36 GLU  HN          2.60    (#    589:10  Unique         2.57, 3.37 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 577, 578,
 &end
#
#    0 AMB  10-2:590     36 GLU  HN          2.60    (#    590:10  Single Ambig)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 577, 578, 591, 592,
 &end
#
#   36 GLU  HB-          36 GLU  HN          2.60    (#    591:10  Unique         2.70, 3.14 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 591, 592,
 &end
#
#   37 ALA  MB           36 GLU  HN          4.30    (#    594:10  Unique         4.61, 5.21 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 606, 607, 608,
 &end
#
#   36 GLU  HN           37 ALA  HN          2.60    (#    596:10  Unique         2.51, 2.55 A)
 &rst
  ixpk= 596, nxpk= 10, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   39 GLU  HN           37 ALA  HN          4.30    (#    597:10  Unique         3.91, 3.93 A)
 &rst
  ixpk= 597, nxpk= 10, iat= 628, 602, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:598     37 ALA  HN          6.00    (#    598:10  Single Ambig)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 643,
 &end
#
#   38 VAL  HN           37 ALA  HN          4.30    (#    599:10  Unique         2.58, 2.61 A)
 &rst
  ixpk= 599, nxpk= 10, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   34 GLY  HA+          37 ALA  HN          6.00    (#    601:10  Unique         3.44, 4.13 A)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 568, 569,
 &end
#
#    0 AMB  10-2:602     37 ALA  HN          6.00    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 568, 569, 647, 648,
 &end
#
#    0 AMB  10-2:603     37 ALA  HN          2.60    (#    603:10  Single Ambig)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 604, 589,
 &end
#
#    0 AMB  10-2:604     37 ALA  HN          4.30    (#    604:10  Single Ambig)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 594, 595, 594, 595, 580, 581,
 &end
#
#   36 GLU  HB+          37 ALA  HN          2.60    (#    606:10  Unique         2.53, 3.21 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 591, 592,
 &end
#
#   36 GLU  HB-          37 ALA  HN          2.60    (#    607:10  Unique         2.53, 3.21 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 591, 592,
 &end
#
#   38 VAL  HB           37 ALA  HN          6.00    (#    608:10  Unique         6.08, 6.10 A)
 &rst
  ixpk= 608, nxpk= 10, iat= 616, 602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  MB           37 ALA  HN          2.20    (#    609:10  Unique         2.32, 2.86 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 606, 607, 608,
 &end
#
#   38 VAL  MGY          37 ALA  HN          6.00    (#    610:10  Unique         3.89, 5.15 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          37 ALA  HN          4.30    (#    612:10  Unique         3.89, 5.15 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   36 GLU  HN           38 VAL  HN          6.00    (#    613:10  Unique         4.39, 4.43 A)
 &rst
  ixpk= 613, nxpk= 10, iat= 587, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  HN           38 VAL  HN          4.30    (#    614:10  Unique         2.58, 2.61 A)
 &rst
  ixpk= 614, nxpk= 10, iat= 602, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   39 GLU  HN           38 VAL  HN          4.30    (#    615:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 615, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:616     38 VAL  HN          6.00    (#    616:10  Single Ambig)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 566, 643, 673,
 &end
#
#   39 GLU  HA           38 VAL  HN          6.00    (#    617:10  Unique         5.45, 5.47 A)
 &rst
  ixpk= 617, nxpk= 10, iat= 630, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:618     38 VAL  HN          4.30    (#    618:10  Single Ambig)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 583, 604, 589,
 &end
#
#    0 AMB  10-2:619     38 VAL  HN          6.00    (#    619:10  Single Ambig)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 490, 468, 469,
 &end
#
#   33 TRP  HB-          38 VAL  HN          6.00    (#    620:10  Unique         4.61, 5.05 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 546, 547,
 &end
#
#    0 AMB  10-2:621     38 VAL  HN          6.00    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 580, 581, 594, 595,
 &end
#
#   38 VAL  HA           38 VAL  HN          2.60    (#    622:10  Unique         2.71, 2.73 A)
 &rst
  ixpk= 622, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:623     38 VAL  HN          4.30    (#    623:10  Single Ambig)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 632, 633, 591, 592, 577, 578,
 &end
#
#    0 AMB  10-2:624     38 VAL  HN          6.00    (#    624:10  Single Ambig)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 632, 633, 580, 581,
 &end
#
#   38 VAL  HB           38 VAL  HN          4.30    (#    625:10  Unique         3.53, 3.55 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 616, 612, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   37 ALA  MB           38 VAL  HN          2.60    (#    627:10  Unique         2.08, 3.03 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 606, 607, 608,
 &end
#
#   38 VAL  MGY          38 VAL  HN          4.30    (#    628:10  Unique         2.05, 3.09 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   30 LYS  HG-          38 VAL  HN          6.00    (#    629:10  Unique         4.71, 5.59 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGX          38 VAL  HN          2.60    (#    630:10  Unique         2.05, 3.09 A)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   36 GLU  HN           39 GLU  HN          6.00    (#    631:10  Unique         4.82, 4.84 A)
 &rst
  ixpk= 631, nxpk= 10, iat= 587, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  HN           39 GLU  HN          4.30    (#    632:10  Unique         3.91, 3.93 A)
 &rst
  ixpk= 632, nxpk= 10, iat= 602, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   40 SER  HN           39 GLU  HN          4.30    (#    633:10  Unique         2.43, 2.54 A)
 &rst
  ixpk= 633, nxpk= 10, iat= 643, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   38 VAL  HN           39 GLU  HN          4.30    (#    634:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 612, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HE           39 GLU  HN          6.00    (#    635:10  Unique         4.10, 6.47 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#    0 AMB  10-2:636     39 GLU  HN          6.00    (#    636:10  Single Ambig)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 645, 568, 569,
 &end
#
#   39 GLU  HA           39 GLU  HN          4.30    (#    637:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 637, nxpk= 10, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   40 SER  HB-          39 GLU  HN          6.00    (#    638:10  Unique         4.54, 4.95 A)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 647, 648,
 &end
#
#    0 AMB  10-2:639     39 GLU  HN          4.30    (#    639:10  Single Ambig)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 583, 589, 604,
 &end
#
#   30 LYS  HE+          39 GLU  HN          6.00    (#    641:10  Unique         5.17, 5.80 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 501, 502,
 &end
#
#   39 GLU  HG+          39 GLU  HN          2.60    (#    642:10  Unique         2.56, 3.19 A)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 635, 636,
 &end
#
#   39 GLU  HG-          39 GLU  HN          2.60    (#    643:10  Unique         2.56, 3.19 A)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 635, 636,
 &end
#
#   39 GLU  HB+          39 GLU  HN          2.60    (#    645:10  Unique         2.31, 2.99 A)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 632, 633,
 &end
#
#   39 GLU  HB-          39 GLU  HN          2.60    (#    646:10  Unique         2.31, 2.99 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 632, 633,
 &end
#
#    0 AMB  10-2:647     39 GLU  HN          4.30    (#    647:10  Single Ambig)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 614, 495, 496,
 &end
#
#   38 VAL  HB           39 GLU  HN          4.30    (#    649:10  Unique         3.85, 3.95 A)
 &rst
  ixpk= 649, nxpk= 10, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   37 ALA  MB           39 GLU  HN          6.00    (#    651:10  Unique         4.75, 5.36 A)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   30 LYS  HG-          39 GLU  HN          6.00    (#    652:10  Unique         5.45, 6.42 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 495, 496,
 &end
#
#   38 VAL  MGY          39 GLU  HN          4.30    (#    653:10  Unique         2.54, 4.01 A)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          39 GLU  HN          4.30    (#    654:10  Unique         2.54, 4.01 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   37 ALA  HN           40 SER  HN          6.00    (#    655:10  Unique         4.62, 4.67 A)
 &rst
  ixpk= 655, nxpk= 10, iat= 602, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLU  HN           40 SER  HN          2.60    (#    656:10  Unique         2.43, 2.54 A)
 &rst
  ixpk= 656, nxpk= 10, iat= 628, 643, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   41 TRP  HN           40 SER  HN          2.60    (#    657:10  Unique         2.57, 2.61 A)
 &rst
  ixpk= 657, nxpk= 10, iat= 654, 643, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   42 ALA  HN           40 SER  HN          4.30    (#    658:10  Unique         4.29, 4.58 A)
 &rst
  ixpk= 658, nxpk= 10, iat= 678, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   38 VAL  HN           40 SER  HN          6.00    (#    659:10  Unique         4.18, 4.22 A)
 &rst
  ixpk= 659, nxpk= 10, iat= 612, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:660     40 SER  HN          6.00    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 656, 117,
 &end
#
#   40 SER  HA           40 SER  HN          4.30    (#    661:10  Unique         2.89, 2.90 A)
 &rst
  ixpk= 661, nxpk= 10, iat= 645, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   39 GLU  HA           40 SER  HN          4.30    (#    662:10  Unique         3.51, 3.53 A)
 &rst
  ixpk= 662, nxpk= 10, iat= 630, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   40 SER  HB+          40 SER  HN          4.30    (#    663:10  Unique         2.39, 2.63 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 647, 648,
 &end
#
#   40 SER  HB-          40 SER  HN          4.30    (#    664:10  Unique         2.39, 2.63 A)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 647, 648,
 &end
#
#    0 AMB  10-2:665     40 SER  HN          4.30    (#    665:10  Single Ambig)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 604, 589,
 &end
#
#   39 GLU  HG-          40 SER  HN          4.30    (#    666:10  Unique         4.64, 4.94 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 635, 636,
 &end
#
#    0 AMB  10-2:667     40 SER  HN          6.00    (#    667:10  Single Ambig)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 594, 595, 594, 595, 580, 581,
 &end
#
#   39 GLU  HB+          40 SER  HN          4.30    (#    668:10  Unique         2.96, 3.42 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 632, 633,
 &end
#
#   38 VAL  HA           40 SER  HN          4.30    (#    669:10  Unique         4.17, 4.22 A)
 &rst
  ixpk= 669, nxpk= 10, iat= 614, 643, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   39 GLU  HB-          40 SER  HN          4.30    (#    670:10  Unique         2.96, 3.42 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 632, 633,
 &end
#
#   38 VAL  HB           40 SER  HN          6.00    (#    671:10  Unique         5.55, 5.62 A)
 &rst
  ixpk= 671, nxpk= 10, iat= 616, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  MB           40 SER  HN          6.00    (#    672:10  Unique         5.38, 5.58 A)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   38 VAL  MGY          40 SER  HN          6.00    (#    673:10  Unique         4.98, 6.01 A)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   38 VAL  MGX          40 SER  HN          6.00    (#    674:10  Unique         4.98, 6.01 A)
 &rst
  ixpk= 674, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   41 TRP  HE1          41 TRP  HN          6.00    (#    675:10  Unique         4.43, 4.51 A)
 &rst
  ixpk= 675, nxpk= 10, iat= 664, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 SER  HN           41 TRP  HN          3.50    (#    679:10  Unique         2.57, 2.61 A)
 &rst
  ixpk= 679, nxpk= 10, iat= 643, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           41 TRP  HN          2.80    (#    680:10  Unique         3.15, 3.34 A)
 &rst
  ixpk= 680, nxpk= 10, iat= 678, 654, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 TYR  HD           41 TRP  HN          6.00    (#    682:10  Unique         4.81, 6.92 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#   41 TRP  HD1          41 TRP  HN          4.30    (#    683:10  Unique         2.87, 2.97 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 662, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HE           41 TRP  HN          6.00    (#    685:10  Unique         5.50, 7.51 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#   41 TRP  HA           41 TRP  HN          3.50    (#    686:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 686, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HA           41 TRP  HN          4.30    (#    688:10  Unique         3.57, 3.58 A)
 &rst
  ixpk= 688, nxpk= 10, iat= 645, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   39 GLU  HA           41 TRP  HN          4.30    (#    689:10  Unique         4.24, 4.33 A)
 &rst
  ixpk= 689, nxpk= 10, iat= 630, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   40 SER  HB+          41 TRP  HN          6.00    (#    690:10  Unique         2.56, 3.22 A)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 647, 648,
 &end
#
#   41 TRP  HB+          41 TRP  HN          4.30    (#    691:10  Unique         2.53, 3.12 A)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#   40 SER  HB-          41 TRP  HN          4.30    (#    692:10  Unique         2.56, 3.22 A)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 647, 648,
 &end
#
#   41 TRP  HB-          41 TRP  HN          4.30    (#    693:10  Unique         2.53, 3.12 A)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#   38 VAL  HA           41 TRP  HN          4.30    (#    695:10  Unique         3.20, 3.28 A)
 &rst
  ixpk= 695, nxpk= 10, iat= 614, 654, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   42 ALA  MB           41 TRP  HN          4.30    (#    696:10  Unique         4.62, 5.44 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 682, 683, 684,
 &end
#
#   38 VAL  MGX          41 TRP  HN          6.00    (#    697:10  Unique         5.57, 6.22 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619, 620, 622, 623, 624,
 &end
#
#   10 PRO  HG+          41 TRP  HN          6.00    (#    698:10  Unique         6.30, 6.82 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 176, 177,
 &end
#
#   37 ALA  MB           41 TRP  HN          6.00    (#    699:10  Unique         5.25, 5.80 A)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 606, 607, 608,
 &end
#
#   38 VAL  HB           41 TRP  HN          6.00    (#    700:10  Unique         5.11, 5.18 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 616, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 THR  HN           42 ALA  HN          4.30    (#    701:10  Unique         4.36, 4.38 A)
 &rst
  ixpk= 701, nxpk= 10, iat= 688, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   41 TRP  HN           42 ALA  HN          2.80    (#    702:10  Unique         3.15, 3.34 A)
 &rst
  ixpk= 702, nxpk= 10, iat= 654, 678, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 SER  HN           42 ALA  HN          4.30    (#    705:10  Unique)
 &rst
  ixpk= 705, nxpk= 10, iat= 643, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HD           42 ALA  HN          6.00    (#    706:10  Unique         4.65, 6.26 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#   41 TRP  HD1          42 ALA  HN          6.00    (#    707:10  Unique         5.00, 5.11 A)
 &rst
  ixpk= 707, nxpk= 10, iat= 662, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HE           42 ALA  HN          6.00    (#    708:10  Unique         4.98, 6.58 A)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#    0 AMB  10-2:709     42 ALA  HN          4.30    (#    709:10  Single Ambig)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 656, 117,
 &end
#
#   40 SER  HA           42 ALA  HN          6.00    (#    710:10  Unique         3.59, 3.66 A)
 &rst
  ixpk= 710, nxpk= 10, iat= 645, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:711     42 ALA  HN          4.30    (#    711:10  Single Ambig)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 630, 690,
 &end
#
#   41 TRP  HB+          42 ALA  HN          4.30    (#    712:10  Unique)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#   41 TRP  HB-          42 ALA  HN          4.30    (#    713:10  Unique         4.03, 4.36 A)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 658, 659,
 &end
#
#    5 LYS  HG-          42 ALA  HN          6.00    (#    715:10  Unique         6.17, 7.05 A)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#    0 AMB  10-2:717     42 ALA  HN          6.00    (#    717:10  Single Ambig)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  86,  87, 140, 141,
 &end
#
#    0 AMB  10-2:718     42 ALA  HN          6.00    (#    718:10  Single Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 614, 105, 106, 173, 174,
 &end
#
#   42 ALA  MB           42 ALA  HN          2.60    (#    719:10  Unique         2.65, 3.14 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 682, 683, 684,
 &end
#
#   42 ALA  HA           42 ALA  HN          4.30    (#    720:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 720, nxpk= 10, iat= 680, 678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   44 LEU  HN           43 THR  HN          6.00    (#    721:10  Unique         4.32, 4.38 A)
 &rst
  ixpk= 721, nxpk= 10, iat= 702, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 LYS  HN           43 THR  HN          6.00    (#    722:10  Unique         4.93, 5.04 A)
 &rst
  ixpk= 722, nxpk= 10, iat= 136, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 ALA  HN           43 THR  HN          4.30    (#    723:10  Unique         4.36, 4.38 A)
 &rst
  ixpk= 723, nxpk= 10, iat= 678, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    7 TYR  HD           43 THR  HN          6.00    (#    724:10  Unique         5.17, 5.40 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 132,
 &end
#
#    7 TYR  HE           43 THR  HN          6.00    (#    725:10  Unique         5.65, 5.86 A)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 125, 130,
 &end
#
#    6 GLN  HA           43 THR  HN          6.00    (#    726:10  Unique         4.68, 4.73 A)
 &rst
  ixpk= 726, nxpk= 10, iat= 100, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HA           43 THR  HN          4.30    (#    727:10  Unique         3.60, 3.65 A)
 &rst
  ixpk= 727, nxpk= 10, iat= 117, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   42 ALA  HA           43 THR  HN          2.60    (#    728:10  Unique         2.12, 2.16 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 680, 688, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   43 THR  HA           43 THR  HN          4.30    (#    729:10  Unique         3.00, 3.01 A)
 &rst
  ixpk= 729, nxpk= 10, iat= 690, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   43 THR  HB           43 THR  HN          4.30    (#    730:10  Unique         2.74, 2.80 A)
 &rst
  ixpk= 730, nxpk= 10, iat= 692, 688, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:731     43 THR  HN          6.00    (#    731:10  Single Ambig)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  89,  90,  89,  90,
 &end
#
#    6 GLN  HB+          43 THR  HN          4.30    (#    732:10  Unique         3.93, 4.73 A)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 102, 103,
 &end
#
#    6 GLN  HG-          43 THR  HN          6.00    (#    733:10  Unique         3.64, 4.48 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 105, 106,
 &end
#
#    6 GLN  HB-          43 THR  HN          6.00    (#    734:10  Unique         3.93, 4.73 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#    5 LYS  HB+          43 THR  HN          6.00    (#    735:10  Unique         3.45, 4.39 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  80,  81,
 &end
#
#    0 AMB  10-2:736     43 THR  HN          6.00    (#    736:10  Single Ambig)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  86,  87, 140, 141,
 &end
#
#    5 LYS  HB-          43 THR  HN          6.00    (#    737:10  Unique         3.45, 4.39 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  80,  81,
 &end
#
#   43 THR  MG2          43 THR  HN          4.30    (#    738:10  Unique         4.59, 4.73 A)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 694, 695, 696,
 &end
#
#   42 ALA  MB           43 THR  HN          2.60    (#    739:10  Unique         2.45, 3.34 A)
 &rst
  ixpk= 739, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 682, 683, 684,
 &end
#
#    5 LYS  HG-          43 THR  HN          6.00    (#    740:10  Unique         3.27, 4.19 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#   43 THR  HN           44 LEU  HN          6.00    (#    741:10  Unique         4.32, 4.38 A)
 &rst
  ixpk= 741, nxpk= 10, iat= 688, 702, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 LEU  HA           44 LEU  HN          4.30    (#    743:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 743, nxpk= 10, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   43 THR  HA           44 LEU  HN          2.20    (#    744:10  Unique         2.04, 2.13 A)
 &rst
  ixpk= 744, nxpk= 10, iat= 690, 702, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   43 THR  HB           44 LEU  HN          4.30    (#    746:10  Unique         3.63, 3.73 A)
 &rst
  ixpk= 746, nxpk= 10, iat= 692, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:747     44 LEU  HN          4.30    (#    747:10  Single Ambig)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 706, 707, 706, 707,
 &end
#
#    0 AMB  10-2:748     44 LEU  HN          6.00    (#    748:10  Single Ambig)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  80,  81,  42,  43,
 &end
#
#   43 THR  MG2          44 LEU  HN          2.60    (#    749:10  Unique         2.40, 3.21 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 694, 695, 696,
 &end
#
#    0 AMB  10-2:750     44 LEU  HN          4.30    (#    750:10  Single Ambig)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 730, 731, 732, 734, 735, 736, 711, 712, 713, 715,
       716, 717, 682, 683, 684,
 &end
#
#   44 LEU  MDY          44 LEU  HN          4.30    (#    751:10  Unique         4.66, 5.30 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#    6 GLN  HB+          44 LEU  HN          6.00    (#    752:10  Unique         5.08, 6.23 A)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#    6 GLN  HG-          44 LEU  HN          6.00    (#    753:10  Unique         5.98, 6.96 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 105, 106,
 &end
#
#    0 AMB  10-2:754     44 LEU  HN          4.30    (#    754:10  Single Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat= 728, 702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    6 GLN  HN           45 LEU  HN          4.30    (#    756:10  Unique         3.99, 4.10 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  98, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   44 LEU  HA           45 LEU  HN          2.20    (#    757:10  Unique         2.12, 2.15 A)
 &rst
  ixpk= 757, nxpk= 10, iat= 704, 721, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   45 LEU  HA           45 LEU  HN          4.30    (#    758:10  Unique         2.94, 2.96 A)
 &rst
  ixpk= 758, nxpk= 10, iat= 723, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    3 LYS  HA           45 LEU  HN          6.00    (#    759:10  Unique         4.74, 5.34 A)
 &rst
  ixpk= 759, nxpk= 10, iat=  40, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 THR  HB           45 LEU  HN          6.00    (#    760:10  Unique         5.24, 5.41 A)
 &rst
  ixpk= 760, nxpk= 10, iat= 692, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:761     45 LEU  HN          6.00    (#    761:10  Single Ambig)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 742, 743, 742, 743,  62,
 &end
#
#    4 VAL  HB           45 LEU  HN          4.30    (#    762:10  Unique         3.63, 3.86 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  64, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:763     45 LEU  HN          6.00    (#    763:10  Single Ambig)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  45,  46,  80,  81,
 &end
#
#    0 AMB  10-2:764     45 LEU  HN          2.60    (#    764:10  Single Ambig)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 725, 726, 728,
 &end
#
#    0 AMB  10-2:765     45 LEU  HN          2.60    (#    765:10  Single Ambig)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 725, 726, 709, 706, 707,
 &end
#
#   43 THR  MG2          45 LEU  HN          6.00    (#    766:10  Unique         4.99, 6.12 A)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 694, 695, 696,
 &end
#
#    5 LYS  HG-          45 LEU  HN          6.00    (#    767:10  Unique         4.42, 4.81 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#   44 LEU  MDX          45 LEU  HN          2.60    (#    768:10  Unique         2.13, 4.44 A)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#   45 LEU  MDX          45 LEU  HN          4.30    (#    769:10  Unique         2.59, 4.53 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#   45 LEU  HN           46 GLY  HN          4.30    (#    770:10  Unique         3.01, 3.99 A)
 &rst
  ixpk= 770, nxpk= 10, iat= 721, 740, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   44 LEU  HA           46 GLY  HN          6.00    (#    774:10  Unique         4.07, 5.33 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 704, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HA           46 GLY  HN          2.60    (#    776:10  Unique         2.07, 2.23 A)
 &rst
  ixpk= 776, nxpk= 10, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:778     46 GLY  HN          2.20    (#    778:10  Single Ambig)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 742, 743, 742, 743,
 &end
#
#    0 AMB  10-2:780     46 GLY  HN          6.00    (#    780:10  Single Ambig)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  51,  52,  51,  52,
 &end
#
#    4 VAL  HB           46 GLY  HN          6.00    (#    781:10  Unique         5.76, 6.00 A)
 &rst
  ixpk= 781, nxpk= 10, iat=  64, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HB-          46 GLY  HN          4.30    (#    782:10  Unique         2.86, 3.95 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 725, 726,
 &end
#
#    0 AMB  10-2:783     46 GLY  HN          4.30    (#    783:10  Single Ambig)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 709, 725, 726, 706, 707, 706, 707,
 &end
#
#   43 THR  MG2          46 GLY  HN          6.00    (#    784:10  Unique         5.88, 7.41 A)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 694, 695, 696,
 &end
#
#   45 LEU  MDX          46 GLY  HN          4.30    (#    785:10  Unique         3.82, 5.61 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 730, 731, 732, 734, 735, 736,
 &end
#
#   44 LEU  MDY          46 GLY  HN          4.30    (#    786:10  Unique         1.92, 5.09 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 711, 712, 713, 715, 716, 717,
 &end
#
#   29 TRP  HN           29 TRP  HE1         6.00    (#    787:10  Unique         4.64, 4.68 A)
 &rst
  ixpk= 787, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 TRP  HD1          29 TRP  HE1         2.60    (#    788:10  Unique         2.55, 2.56 A)
 &rst
  ixpk= 788, nxpk= 10, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   29 TRP  HZ2          29 TRP  HE1         4.30    (#    789:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 789, nxpk= 10, iat= 477, 474, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    0 AMB  10-2:790     29 TRP  HE1         4.30    (#    790:10  Single Ambig)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 557, 479,
 &end
#
#    0 AMB  10-2:791     29 TRP  HE1         6.00    (#    791:10  Single Ambig)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 466, 138,
 &end
#
#   33 TRP  HZ3          29 TRP  HE1         4.30    (#    792:10  Unique         3.99, 4.07 A)
 &rst
  ixpk= 792, nxpk= 10, iat= 559, 474, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   25 THR  HA           29 TRP  HE1         6.00    (#    793:10  Unique         4.43, 4.54 A)
 &rst
  ixpk= 793, nxpk= 10, iat= 396, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:794     29 TRP  HE1         6.00    (#    794:10  Single Ambig)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 398, 468, 469,
 &end
#
#   29 TRP  HB-          29 TRP  HE1         6.00    (#    795:10  Unique         5.11, 5.16 A)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 468, 469,
 &end
#
#    0 AMB  10-2:796     29 TRP  HE1         6.00    (#    796:10  Single Ambig)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 162, 163, 453, 454, 533, 534,
 &end
#
#    0 AMB  10-2:797     29 TRP  HE1         4.30    (#    797:10  Single Ambig)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 453, 454, 456, 457,
 &end
#
#   14 GLU  HB-          29 TRP  HE1         6.00    (#    798:10  Unique         3.10, 3.66 A)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 229, 230,
 &end
#
#    0 AMB  10-2:799     29 TRP  HE1         6.00    (#    799:10  Single Ambig)
 &rst
  ixpk= 799, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 210, 211, 212, 524, 525,
 &end
#
#   25 THR  MG2          29 TRP  HE1         2.60    (#    801:10  Unique         2.47, 2.82 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 400, 401, 402,
 &end
#
#   16 ILE  MD1          29 TRP  HE1         6.00    (#    802:10  Unique         4.31, 5.48 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270, 271,
 &end
#
#   41 TRP  HN           41 TRP  HE1         6.00    (#    803:10  Unique         4.43, 4.51 A)
 &rst
  ixpk= 803, nxpk= 10, iat= 654, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HD1          41 TRP  HE1         2.60    (#    807:10  Unique         2.56, 2.56 A)
 &rst
  ixpk= 807, nxpk= 10, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   41 TRP  HH2          41 TRP  HE1         6.00    (#    808:10  Unique         5.05, 5.07 A)
 &rst
  ixpk= 808, nxpk= 10, iat= 669, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 TRP  HA           41 TRP  HE1         6.00    (#    810:10  Unique         5.02, 5.15 A)
 &rst
  ixpk= 810, nxpk= 10, iat= 656, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ALA  HA           41 TRP  HE1         4.30    (#    811:10  Unique)
 &rst
  ixpk= 811, nxpk= 10, iat= 604, 664, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    9 ASN  HA           41 TRP  HE1         6.00    (#    812:10  Unique         5.63, 5.87 A)
 &rst
  ixpk= 812, nxpk= 10, iat= 160, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 PRO  HD+          41 TRP  HE1         4.30    (#    813:10  Unique         3.98, 4.58 A)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 173, 174,
 &end
#
#   10 PRO  HB+          41 TRP  HE1         6.00    (#    814:10  Unique         5.06, 5.94 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 &end
#
#   37 ALA  MB           41 TRP  HE1         4.30    (#    815:10  Unique         3.49, 4.63 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 606, 607, 608,
 &end
#
#   10 PRO  HB-          41 TRP  HE1         6.00    (#    816:10  Unique         5.06, 5.94 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 &end
#
#   10 PRO  HG+          41 TRP  HE1         4.30    (#    817:10  Unique         3.19, 3.93 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 176, 177,
 &end
#
#   10 PRO  HD-          41 TRP  HE1         6.00    (#    819:10  Unique         3.98, 4.58 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 173, 174,
 &end
#
#   10 PRO  HG-          41 TRP  HE1         4.30    (#    821:10  Unique         3.19, 3.93 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 176, 177,
 &end
#
#   41 TRP  HB-          41 TRP  HE1         6.00    (#    822:10  Unique         4.99, 5.15 A)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 658, 659,
 &end
#
#    0 AMB  10-2:823     15 VAL  HN          2.60    (#    823:10  Single Ambig)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 246, 247, 248, 250, 251, 252, 266, 267,
 &end
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA  79           H1       ALA  79  -1.850   6.542   8.980
    2    HA   ALA  79           HA       ALA  79   1.020   5.883   9.363
    3    HB1  ALA  79           HB1      ALA  79   0.454   4.030   7.759
    4    HB2  ALA  79           HB2      ALA  79  -0.427   3.898   9.295
    5    HB3  ALA  79           HB3      ALA  79  -1.264   4.529   7.857
    6    H    ARG  80           H        ARG  80   2.320   5.970   7.507
    7    HA   ARG  80           HA       ARG  80   1.940   8.219   5.725
    8    HB2  ARG  80           HB2      ARG  80   4.030   6.021   5.863
    9    HB3  ARG  80           HB3      ARG  80   4.127   7.381   4.736
   10    HG2  ARG  80           HG2      ARG  80   3.765   7.843   7.710
   11    HG3  ARG  80           HG3      ARG  80   5.370   7.588   7.017
   12    HD2  ARG  80           HD2      ARG  80   5.330   9.603   5.845
   13    HD3  ARG  80           HD3      ARG  80   3.570   9.671   5.805
   14    HE   ARG  80           HE       ARG  80   5.345  10.390   8.100
   15   HH11  ARG  80          HH11      ARG  80   2.076  10.514   6.744
   16   HH12  ARG  80          HH12      ARG  80   1.570  11.624   7.979
   17   HH21  ARG  80          HH22      ARG  80   4.512  11.989   9.473
   18   HH22  ARG  80          HH21      ARG  80   2.789  12.296   9.462
   19    H    LYS  81           H        LYS  81  -0.262   7.154   5.167
   20    HA   LYS  81           HA       LYS  81  -0.691   5.155   3.239
   21    HB2  LYS  81           HB2      LYS  81  -2.126   7.754   3.991
   22    HB3  LYS  81           HB3      LYS  81  -2.789   6.626   2.818
   23    HG2  LYS  81           HG2      LYS  81  -3.296   5.010   4.376
   24    HG3  LYS  81           HG3      LYS  81  -2.051   5.536   5.538
   25    HD2  LYS  81           HD2      LYS  81  -3.312   7.483   6.158
   26    HD3  LYS  81           HD3      LYS  81  -4.542   7.173   4.914
   27    HE2  LYS  81           HE2      LYS  81  -5.293   5.159   6.017
   28    HE3  LYS  81           HE3      LYS  81  -3.902   5.155   7.109
   29    HZ1  LYS  81           HZ1      LYS  81  -5.982   7.283   7.134
   30    HZ2  LYS  81           HZ2      LYS  81  -5.956   6.016   8.173
   31    HZ3  LYS  81           HZ3      LYS  81  -4.740   7.121   8.195
   32    H    VAL  82           H        VAL  82  -0.433   5.020   1.274
   33    HA   VAL  82           HA       VAL  82   0.776   7.039  -0.451
   34    HB   VAL  82           HB       VAL  82  -0.438   4.310  -1.062
   35   HG11  VAL  82          HG11      VAL  82   1.081   6.218  -2.892
   36   HG12  VAL  82          HG12      VAL  82   0.888   4.473  -3.203
   37   HG13  VAL  82          HG13      VAL  82  -0.542   5.500  -3.118
   38   HG21  VAL  82          HG21      VAL  82   2.452   5.196  -0.850
   39   HG22  VAL  82          HG22      VAL  82   1.548   4.281   0.396
   40   HG23  VAL  82          HG23      VAL  82   1.868   3.562  -1.197
   41    H    LYS  83           H        LYS  83  -0.171   8.459  -1.763
   42    HA   LYS  83           HA       LYS  83  -3.054   8.178  -2.445
   43    HB2  LYS  83           HB2      LYS  83  -1.309  10.582  -2.017
   44    HB3  LYS  83           HB3      LYS  83  -2.442  10.620  -3.390
   45    HG2  LYS  83           HG2      LYS  83  -4.339  10.177  -2.018
   46    HG3  LYS  83           HG3      LYS  83  -3.329   9.981  -0.564
   47    HD2  LYS  83           HD2      LYS  83  -2.610  12.288  -0.663
   48    HD3  LYS  83           HD3      LYS  83  -3.365  12.530  -2.250
   49    HE2  LYS  83           HE2      LYS  83  -5.529  12.486  -1.435
   50    HE3  LYS  83           HE3      LYS  83  -5.065  11.730   0.113
   51    HZ1  LYS  83           HZ1      LYS  83  -5.518  14.162   0.273
   52    HZ2  LYS  83           HZ2      LYS  83  -4.033  13.733   0.801
   53    HZ3  LYS  83           HZ3      LYS  83  -4.227  14.454  -0.699
   54    H    GLN  84           H        GLN  84  -3.437   7.572  -4.460
   55    HA   GLN  84           HA       GLN  84  -1.250   7.583  -6.448
   56    HB2  GLN  84           HB2      GLN  84  -2.175   5.580  -6.939
   57    HB3  GLN  84           HB3      GLN  84  -3.686   5.923  -6.083
   58    HG2  GLN  84           HG2      GLN  84  -4.517   7.137  -8.003
   59    HG3  GLN  84           HG3      GLN  84  -2.977   6.891  -8.880
   60   HE21  GLN  84          HE22      GLN  84  -2.341   4.514  -9.266
   61   HE22  GLN  84          HE21      GLN  84  -3.666   3.394  -9.532
   62    H    TYR  85           H        TYR  85  -1.496   8.935  -8.167
   63    HA   TYR  85           HA       TYR  85  -3.848  10.794  -8.224
   64    HB2  TYR  85           HB2      TYR  85  -0.963  11.594  -8.790
   65    HB3  TYR  85           HB3      TYR  85  -2.380  12.632  -8.840
   66    HD1  TYR  85           HD2      TYR  85  -3.525  13.311  -6.749
   67    HD2  TYR  85           HD1      TYR  85   0.180  11.111  -6.697
   68    HE1  TYR  85           HE2      TYR  85  -3.117  14.091  -4.412
   69    HE2  TYR  85           HE1      TYR  85   0.611  11.887  -4.380
   70    HH   TYR  85           HH       TYR  85  -0.073  13.273  -2.681
   71    H    LYS  86           H        LYS  86  -4.643  11.149 -10.293
   72    HA   LYS  86           HA       LYS  86  -3.179   9.989 -12.632
   73    HB2  LYS  86           HB2      LYS  86  -4.823   8.352 -11.937
   74    HB3  LYS  86           HB3      LYS  86  -6.092   9.575 -11.835
   75    HG2  LYS  86           HG2      LYS  86  -6.142   9.884 -14.226
   76    HG3  LYS  86           HG3      LYS  86  -4.659   8.949 -14.449
   77    HD2  LYS  86           HD2      LYS  86  -5.836   6.915 -13.574
   78    HD3  LYS  86           HD3      LYS  86  -7.333   7.873 -13.454
   79    HE2  LYS  86           HE2      LYS  86  -7.188   8.351 -15.910
   80    HE3  LYS  86           HE3      LYS  86  -5.725   7.358 -16.009
   81    HZ1  LYS  86           HZ1      LYS  86  -7.072   5.433 -15.299
   82    HZ2  LYS  86           HZ2      LYS  86  -8.421   6.356 -15.211
   83    HZ3  LYS  86           HZ3      LYS  86  -7.708   6.083 -16.650
   84    H    ASN  87           H        ASN  87  -3.254  11.212 -14.439
   85    HA   ASN  87           HA       ASN  87  -4.447  13.921 -14.123
   86    HB2  ASN  87           HB2      ASN  87  -2.068  13.616 -14.309
   87    HB3  ASN  87           HB3      ASN  87  -2.236  12.878 -15.899
   88   HD21  ASN  87          HD21      ASN  87  -0.758  15.302 -15.143
   89   HD22  ASN  87          HD22      ASN  87  -1.578  16.627 -15.980
   90    HA   PRO  88           HA       PRO  88  -7.593  12.753 -17.238
   91    HB2  PRO  88           HB2      PRO  88  -8.108  15.705 -16.830
   92    HB3  PRO  88           HB3      PRO  88  -9.285  14.367 -16.993
   93    HG2  PRO  88           HG2      PRO  88  -8.693  15.374 -14.539
   94    HG3  PRO  88           HG3      PRO  88  -8.818  13.599 -14.769
   95    HD2  PRO  88           HD2      PRO  88  -6.331  15.307 -14.645
   96    HD3  PRO  88           HD3      PRO  88  -6.673  13.717 -13.890
   97    H    HIS  89           H        HIS  89  -5.185  15.350 -17.464
   98    HA   HIS  89           HA       HIS  89  -5.806  15.989 -20.278
   99    HB2  HIS  89           HB2      HIS  89  -3.607  17.050 -18.460
  100    HB3  HIS  89           HB3      HIS  89  -4.140  17.746 -19.982
  101    HD1  HIS  89           HD1      HIS  89  -6.736  18.802 -19.938
  102    HD2  HIS  89           HD2      HIS  89  -4.875  17.803 -16.278
  103    HE1  HIS  89           HE1      HIS  89  -8.063  20.019 -18.091
  104    HE2  HIS  89           HE2      HIS  89  -6.914  19.421 -15.866
  105    H    THR  90           H        THR  90  -3.517  13.929 -18.626
  106    HA   THR  90           HA       THR  90  -1.966  13.553 -21.180
  107    HB   THR  90           HB       THR  90  -0.009  13.143 -19.841
  108    HG1  THR  90           HG1      THR  90  -0.160  13.350 -17.569
  109   HG21  THR  90          HG21      THR  90   0.367  15.298 -18.744
  110   HG22  THR  90          HG22      THR  90  -0.561  15.578 -20.228
  111   HG23  THR  90          HG23      THR  90  -1.389  15.592 -18.658
  112    H    GLY  91           H        GLY  91  -3.772  11.887 -18.678
  113    HA2  GLY  91           HA2      GLY  91  -4.377   9.673 -18.514
  114    HA3  GLY  91           HA3      GLY  91  -3.444   9.287 -19.970
  115    H    GLU  92           H        GLU  92  -1.535  10.988 -17.600
  116    HA   GLU  92           HA       GLU  92  -0.030   8.582 -16.977
  117    HB2  GLU  92           HB2      GLU  92   0.390  11.534 -16.501
  118    HB3  GLU  92           HB3      GLU  92   1.345  10.336 -15.637
  119    HG2  GLU  92           HG2      GLU  92   1.122  10.181 -18.633
  120    HG3  GLU  92           HG3      GLU  92   2.247  11.312 -17.856
  121    H    VAL  93           H        VAL  93   0.436   8.023 -14.941
  122    HA   VAL  93           HA       VAL  93  -1.292   8.847 -12.665
  123    HB   VAL  93           HB       VAL  93  -0.490   6.042 -13.373
  124   HG11  VAL  93          HG11      VAL  93  -2.507   7.065 -11.294
  125   HG12  VAL  93          HG12      VAL  93  -2.305   5.364 -11.742
  126   HG13  VAL  93          HG13      VAL  93  -0.991   6.207 -10.946
  127   HG21  VAL  93          HG21      VAL  93  -2.918   5.672 -13.977
  128   HG22  VAL  93          HG22      VAL  93  -3.160   7.426 -13.819
  129   HG23  VAL  93          HG23      VAL  93  -2.083   6.781 -15.067
  130    H    ILE  94           H        ILE  94  -0.404   8.418 -10.657
  131    HA   ILE  94           HA       ILE  94   2.425   7.682 -10.298
  132    HB   ILE  94           HB       ILE  94   1.853   9.921  -8.561
  133   HG12  ILE  94          HG12      ILE  94   1.881  10.822 -11.466
  134   HG13  ILE  94          HG13      ILE  94   0.449  10.819 -10.427
  135   HG21  ILE  94          HG21      ILE  94   3.990   9.761 -10.699
  136   HG22  ILE  94          HG22      ILE  94   4.030  10.636  -9.142
  137   HG23  ILE  94          HG23      ILE  94   4.078   8.887  -9.143
  138   HD11  ILE  94          HD11      ILE  94   1.671  12.265  -8.790
  139   HD12  ILE  94          HD12      ILE  94   2.965  12.442  -9.990
  140   HD13  ILE  94          HD13      ILE  94   1.339  13.032 -10.364
  141    H    GLU  95           H        GLU  95   2.915   7.584  -7.989
  142    HA   GLU  95           HA       GLU  95   0.758   7.313  -6.008
  143    HB2  GLU  95           HB2      GLU  95   2.610   5.119  -6.950
  144    HB3  GLU  95           HB3      GLU  95   2.048   5.145  -5.263
  145    HG2  GLU  95           HG2      GLU  95  -0.270   5.073  -5.960
  146    HG3  GLU  95           HG3      GLU  95   0.202   5.131  -7.665
  147    H    THR  96           H        THR  96   1.448   8.502  -4.309
  148    HA   THR  96           HA       THR  96   4.274   8.317  -3.394
  149    HB   THR  96           HB       THR  96   4.867  10.462  -3.643
  150    HG1  THR  96           HG1      THR  96   3.476  12.220  -3.455
  151   HG21  THR  96          HG21      THR  96   4.216   9.938  -6.014
  152   HG22  THR  96          HG22      THR  96   2.591  10.590  -5.677
  153   HG23  THR  96          HG23      THR  96   4.023  11.648  -5.630
  154    H    LYS  97           H        LYS  97   4.552   8.907  -1.148
  155    HA   LYS  97           HA       LYS  97   2.028   8.867   0.465
  156    HB2  LYS  97           HB2      LYS  97   4.905   8.715   1.334
  157    HB3  LYS  97           HB3      LYS  97   3.507   8.356   2.336
  158    HG2  LYS  97           HG2      LYS  97   3.011   6.347   1.074
  159    HG3  LYS  97           HG3      LYS  97   4.217   6.739  -0.150
  160    HD2  LYS  97           HD2      LYS  97   5.963   6.638   1.748
  161    HD3  LYS  97           HD3      LYS  97   4.701   5.882   2.713
  162    HE2  LYS  97           HE2      LYS  97   6.014   4.129   1.788
  163    HE3  LYS  97           HE3      LYS  97   4.492   4.118   0.889
  164    HZ1  LYS  97           HZ1      LYS  97   7.012   5.438  -0.079
  165    HZ2  LYS  97           HZ2      LYS  97   6.508   3.947  -0.555
  166    HZ3  LYS  97           HZ3      LYS  97   5.644   5.288  -0.939
  167    H    GLY  98           H        GLY  98   3.444  11.233  -1.051
  168    HA2  GLY  98           HA2      GLY  98   2.839  13.562  -0.360
  169    HA3  GLY  98           HA3      GLY  98   3.692  13.222   1.157
  170    H    GLY  99           H        GLY  99   4.880  15.108   0.565
  171    HA2  GLY  99           HA2      GLY  99   6.901  16.015   0.215
  172    HA3  GLY  99           HA3      GLY  99   7.475  14.442  -0.308
  173    H    ASN 100           H        ASN 100   8.553  16.652  -1.233
  174    HA   ASN 100           HA       ASN 100   7.907  17.581  -3.834
  175    HB2  ASN 100           HB2      ASN 100   9.588  18.679  -2.547
  176    HB3  ASN 100           HB3      ASN 100  10.377  17.181  -2.146
  177   HD21  ASN 100          HD22      ASN 100  12.211  18.599  -2.637
  178   HD22  ASN 100          HD21      ASN 100  12.890  18.255  -4.214
  179    H    HIS 101           H        HIS 101   7.169  16.093  -5.278
  180    HA   HIS 101           HA       HIS 101   9.043  13.948  -6.158
  181    HB2  HIS 101           HB2      HIS 101   7.138  13.052  -4.772
  182    HB3  HIS 101           HB3      HIS 101   6.016  13.647  -5.984
  183    HD1  HIS 101           HD1      HIS 101   8.938  11.039  -5.656
  184    HD2  HIS 101           HD2      HIS 101   5.650  12.104  -8.115
  185    HE1  HIS 101           HE1      HIS 101   8.676   9.168  -7.374
  186    HE2  HIS 101           HE2      HIS 101   6.706   9.811  -8.891
  187    H    LYS 102           H        LYS 102   9.509  13.998  -8.277
  188    HA   LYS 102           HA       LYS 102   9.265  16.306  -9.710
  189    HB2  LYS 102           HB2      LYS 102  10.869  14.442 -10.005
  190    HB3  LYS 102           HB3      LYS 102   9.692  13.594 -11.027
  191    HG2  LYS 102           HG2      LYS 102   9.730  15.448 -12.637
  192    HG3  LYS 102           HG3      LYS 102  10.627  16.453 -11.484
  193    HD2  LYS 102           HD2      LYS 102  12.403  14.452 -11.616
  194    HD3  LYS 102           HD3      LYS 102  11.634  14.177 -13.193
  195    HE2  LYS 102           HE2      LYS 102  12.087  16.497 -13.842
  196    HE3  LYS 102           HE3      LYS 102  12.577  16.877 -12.180
  197    HZ1  LYS 102           HZ1      LYS 102  14.476  15.407 -12.412
  198    HZ2  LYS 102           HZ2      LYS 102  14.065  15.002 -13.955
  199    HZ3  LYS 102           HZ3      LYS 102  14.535  16.532 -13.602
  200    H    THR 103           H        THR 103   7.384  13.467 -10.965
  201    HA   THR 103           HA       THR 103   5.901  14.981 -12.822
  202    HB   THR 103           HB       THR 103   4.917  12.481 -11.421
  203    HG1  THR 103           HG1      THR 103   5.969  11.440 -13.170
  204   HG21  THR 103          HG21      THR 103   4.266  13.873 -14.045
  205   HG22  THR 103          HG22      THR 103   3.816  12.167 -13.736
  206   HG23  THR 103          HG23      THR 103   3.151  13.453 -12.729
  207    H    LEU 104           H        LEU 104   5.082  14.278  -9.440
  208    HA   LEU 104           HA       LEU 104   2.447  15.375  -9.430
  209    HB2  LEU 104           HB2      LEU 104   3.442  13.822  -7.741
  210    HB3  LEU 104           HB3      LEU 104   4.503  15.120  -7.196
  211    HG   LEU 104           HG       LEU 104   2.579  16.403  -6.382
  212   HD11  LEU 104          HD11      LEU 104   0.826  15.622  -7.946
  213   HD12  LEU 104          HD12      LEU 104   0.939  13.982  -7.282
  214   HD13  LEU 104          HD13      LEU 104   0.343  15.301  -6.272
  215   HD21  LEU 104          HD21      LEU 104   3.699  14.764  -4.898
  216   HD22  LEU 104          HD22      LEU 104   1.976  14.921  -4.526
  217   HD23  LEU 104          HD23      LEU 104   2.552  13.509  -5.428
  218    H    LYS 105           H        LYS 105   5.645  16.894  -8.941
  219    HA   LYS 105           HA       LYS 105   4.577  19.539  -8.315
  220    HB2  LYS 105           HB2      LYS 105   7.321  18.517  -9.172
  221    HB3  LYS 105           HB3      LYS 105   7.007  20.216  -8.936
  222    HG2  LYS 105           HG2      LYS 105   6.718  18.055  -6.804
  223    HG3  LYS 105           HG3      LYS 105   8.074  19.165  -6.978
  224    HD2  LYS 105           HD2      LYS 105   5.232  19.840  -6.138
  225    HD3  LYS 105           HD3      LYS 105   6.704  19.941  -5.170
  226    HE2  LYS 105           HE2      LYS 105   7.569  21.723  -6.763
  227    HE3  LYS 105           HE3      LYS 105   6.001  21.681  -7.590
  228    HZ1  LYS 105           HZ1      LYS 105   6.463  22.462  -4.752
  229    HZ2  LYS 105           HZ2      LYS 105   5.948  23.443  -5.967
  230    HZ3  LYS 105           HZ3      LYS 105   4.984  22.238  -5.365
  231    H    GLU 106           H        GLU 106   5.324  17.902 -11.398
  232    HA   GLU 106           HA       GLU 106   5.202  20.336 -12.939
  233    HB2  GLU 106           HB2      GLU 106   4.424  17.586 -13.931
  234    HB3  GLU 106           HB3      GLU 106   4.975  18.984 -14.885
  235    HG2  GLU 106           HG2      GLU 106   7.166  18.741 -13.511
  236    HG3  GLU 106           HG3      GLU 106   6.459  17.175 -13.037
  237    H    TRP 107           H        TRP 107   2.862  17.819 -12.113
  238    HA   TRP 107           HA       TRP 107   0.633  18.991 -13.486
  239    HB2  TRP 107           HB2      TRP 107   0.603  17.292 -10.971
  240    HB3  TRP 107           HB3      TRP 107  -0.783  17.644 -12.011
  241    HD1  TRP 107           HD1      TRP 107   1.965  16.907 -14.329
  242    HE1  TRP 107           HE1      TRP 107   1.952  14.453 -15.060
  243    HE3  TRP 107           HE3      TRP 107  -1.429  15.048 -10.964
  244    HZ2  TRP 107           HZ2      TRP 107   0.808  11.997 -14.197
  245    HZ3  TRP 107           HZ3      TRP 107  -2.042  12.645 -11.042
  246    HH2  TRP 107           HH2      TRP 107  -0.894  11.103 -12.631
  247    H    LYS 108           H        LYS 108   1.835  19.673 -10.191
  248    HA   LYS 108           HA       LYS 108  -0.273  21.550  -9.507
  249    HB2  LYS 108           HB2      LYS 108   2.629  21.340  -8.577
  250    HB3  LYS 108           HB3      LYS 108   1.460  22.501  -7.931
  251    HG2  LYS 108           HG2      LYS 108  -0.052  20.602  -7.332
  252    HG3  LYS 108           HG3      LYS 108   1.205  19.469  -7.837
  253    HD2  LYS 108           HD2      LYS 108   2.778  20.588  -6.210
  254    HD3  LYS 108           HD3      LYS 108   1.424  21.590  -5.649
  255    HE2  LYS 108           HE2      LYS 108   0.161  19.389  -5.185
  256    HE3  LYS 108           HE3      LYS 108   1.658  18.543  -5.582
  257    HZ1  LYS 108           HZ1      LYS 108   1.167  20.325  -3.274
  258    HZ2  LYS 108           HZ2      LYS 108   1.754  18.780  -3.313
  259    HZ3  LYS 108           HZ3      LYS 108   2.695  20.066  -3.804
  260    H    ALA 109           H        ALA 109   2.806  21.914 -11.325
  261    HA   ALA 109           HA       ALA 109   2.744  24.761 -11.490
  262    HB1  ALA 109           HB1      ALA 109   3.959  22.791 -13.490
  263    HB2  ALA 109           HB2      ALA 109   4.432  24.463 -13.209
  264    HB3  ALA 109           HB3      ALA 109   4.737  23.231 -11.948
  265    H    LYS 110           H        LYS 110   1.776  22.166 -13.708
  266    HA   LYS 110           HA       LYS 110   0.981  23.741 -15.776
  267    HB2  LYS 110           HB2      LYS 110   0.522  20.864 -15.028
  268    HB3  LYS 110           HB3      LYS 110  -0.257  21.516 -16.481
  269    HG2  LYS 110           HG2      LYS 110   1.983  22.171 -17.359
  270    HG3  LYS 110           HG3      LYS 110   2.733  21.369 -15.959
  271    HD2  LYS 110           HD2      LYS 110   1.477  19.275 -16.565
  272    HD3  LYS 110           HD3      LYS 110   0.868  20.080 -18.017
  273    HE2  LYS 110           HE2      LYS 110   3.763  19.444 -17.360
  274    HE3  LYS 110           HE3      LYS 110   2.694  18.494 -18.422
  275    HZ1  LYS 110           HZ1      LYS 110   2.551  20.451 -19.902
  276    HZ2  LYS 110           HZ2      LYS 110   3.570  21.306 -18.948
  277    HZ3  LYS 110           HZ3      LYS 110   4.103  19.983 -19.734
  278    H    TRP 111           H        TRP 111  -1.020  22.387 -13.179
  279    HA   TRP 111           HA       TRP 111  -3.374  23.995 -14.130
  280    HB2  TRP 111           HB2      TRP 111  -3.510  21.166 -13.048
  281    HB3  TRP 111           HB3      TRP 111  -4.858  22.162 -13.577
  282    HD1  TRP 111           HD1      TRP 111  -5.026  22.652 -16.258
  283    HE1  TRP 111           HE1      TRP 111  -4.187  21.336 -18.302
  284    HE3  TRP 111           HE3      TRP 111  -1.726  19.556 -13.905
  285    HZ2  TRP 111           HZ2      TRP 111  -2.220  19.281 -18.846
  286    HZ3  TRP 111           HZ3      TRP 111  -0.310  17.993 -15.211
  287    HH2  TRP 111           HH2      TRP 111  -0.562  17.814 -17.670
  288    H    GLY 112           H        GLY 112  -2.311  22.113 -11.201
  289    HA2  GLY 112           HA2      GLY 112  -1.893  24.031  -9.408
  290    HA3  GLY 112           HA3      GLY 112  -3.645  24.138  -9.449
  291    HA   PRO 113           HA       PRO 113  -2.022  20.694  -6.547
  292    HB2  PRO 113           HB2      PRO 113  -2.305  21.939  -4.077
  293    HB3  PRO 113           HB3      PRO 113  -0.799  21.865  -5.031
  294    HG2  PRO 113           HG2      PRO 113  -2.821  24.100  -4.899
  295    HG3  PRO 113           HG3      PRO 113  -1.023  24.201  -4.847
  296    HD2  PRO 113           HD2      PRO 113  -2.440  24.703  -7.108
  297    HD3  PRO 113           HD3      PRO 113  -0.858  23.863  -7.172
  298    H    GLU 114           H        GLU 114  -4.759  22.962  -6.276
  299    HA   GLU 114           HA       GLU 114  -6.530  21.367  -4.713
  300    HB2  GLU 114           HB2      GLU 114  -7.339  23.164  -7.013
  301    HB3  GLU 114           HB3      GLU 114  -8.235  22.737  -5.529
  302    HG2  GLU 114           HG2      GLU 114  -6.432  23.988  -4.237
  303    HG3  GLU 114           HG3      GLU 114  -5.791  24.499  -5.811
  304    H    ALA 115           H        ALA 115  -6.042  21.665  -8.164
  305    HA   ALA 115           HA       ALA 115  -7.963  19.825  -9.143
  306    HB1  ALA 115           HB1      ALA 115  -5.240  20.389 -10.409
  307    HB2  ALA 115           HB2      ALA 115  -6.764  19.996 -11.209
  308    HB3  ALA 115           HB3      ALA 115  -6.583  21.582 -10.414
  309    H    VAL 116           H        VAL 116  -4.488  19.496  -8.588
  310    HA   VAL 116           HA       VAL 116  -4.124  16.891  -9.253
  311    HB   VAL 116           HB       VAL 116  -2.674  18.788  -7.419
  312   HG11  VAL 116          HG11      VAL 116  -0.693  17.395  -7.445
  313   HG12  VAL 116          HG12      VAL 116  -1.995  16.593  -6.573
  314   HG13  VAL 116          HG13      VAL 116  -1.605  16.070  -8.230
  315   HG21  VAL 116          HG21      VAL 116  -2.808  19.164  -9.934
  316   HG22  VAL 116          HG22      VAL 116  -1.158  18.966  -9.308
  317   HG23  VAL 116          HG23      VAL 116  -1.977  17.613 -10.131
  318    H    GLU 117           H        GLU 117  -4.802  18.165  -5.953
  319    HA   GLU 117           HA       GLU 117  -4.888  15.604  -4.608
  320    HB2  GLU 117           HB2      GLU 117  -6.048  18.384  -4.099
  321    HB3  GLU 117           HB3      GLU 117  -6.422  17.051  -3.022
  322    HG2  GLU 117           HG2      GLU 117  -3.531  17.699  -3.629
  323    HG3  GLU 117           HG3      GLU 117  -4.459  18.672  -2.485
  324    H    SER 118           H        SER 118  -7.332  17.507  -6.396
  325    HA   SER 118           HA       SER 118  -9.618  15.999  -5.457
  326    HB2  SER 118           HB2      SER 118  -9.338  17.673  -7.989
  327    HB3  SER 118           HB3      SER 118 -10.842  17.018  -7.337
  328    HG   SER 118           HG       SER 118  -9.113  18.946  -6.170
  329    H    TRP 119           H        TRP 119  -7.368  15.531  -8.135
  330    HA   TRP 119           HA       TRP 119  -8.834  13.288  -9.285
  331    HB2  TRP 119           HB2      TRP 119  -5.896  13.935  -9.621
  332    HB3  TRP 119           HB3      TRP 119  -6.944  13.004 -10.684
  333    HD1  TRP 119           HD1      TRP 119  -9.276  15.360 -10.779
  334    HE1  TRP 119           HE1      TRP 119  -8.850  17.396 -12.276
  335    HE3  TRP 119           HE3      TRP 119  -4.197  14.931 -11.308
  336    HZ2  TRP 119           HZ2      TRP 119  -6.589  18.703 -13.508
  337    HZ3  TRP 119           HZ3      TRP 119  -2.934  16.572 -12.685
  338    HH2  TRP 119           HH2      TRP 119  -4.119  18.466 -13.769
  339    H    ALA 120           H        ALA 120  -7.064  13.415  -6.316
  340    HA   ALA 120           HA       ALA 120  -5.543  11.069  -6.663
  341    HB1  ALA 120           HB1      ALA 120  -6.348  12.192  -3.976
  342    HB2  ALA 120           HB2      ALA 120  -4.876  11.297  -4.428
  343    HB3  ALA 120           HB3      ALA 120  -5.124  12.961  -5.000
  344    H    THR 121           H        THR 121  -5.569   9.420  -5.203
  345    HA   THR 121           HA       THR 121  -8.104   7.946  -4.470
  346    HB   THR 121           HB       THR 121  -5.736   6.920  -6.065
  347    HG1  THR 121           HG1      THR 121  -8.411   7.400  -6.942
  348   HG21  THR 121          HG21      THR 121  -7.375   4.945  -6.405
  349   HG22  THR 121          HG22      THR 121  -6.694   5.108  -4.779
  350   HG23  THR 121          HG23      THR 121  -8.345   5.696  -5.100
  351    H    LEU 122           H        LEU 122  -7.827   6.677  -2.686
  352    HA   LEU 122           HA       LEU 122  -5.292   7.038  -1.155
  353    HB2  LEU 122           HB2      LEU 122  -7.266   7.846  -0.044
  354    HB3  LEU 122           HB3      LEU 122  -8.167   6.383  -0.422
  355    HG   LEU 122           HG       LEU 122  -6.742   5.057   1.103
  356   HD11  LEU 122          HD11      LEU 122  -5.188   6.129   2.667
  357   HD12  LEU 122          HD12      LEU 122  -4.623   6.330   1.013
  358   HD13  LEU 122          HD13      LEU 122  -5.409   7.695   1.839
  359   HD21  LEU 122          HD21      LEU 122  -7.567   6.004   3.206
  360   HD22  LEU 122          HD22      LEU 122  -7.867   7.565   2.411
  361   HD23  LEU 122          HD23      LEU 122  -8.802   6.123   1.943
  362    H    LEU 123           H        LEU 123  -3.939   5.415  -1.003
  363    HA   LEU 123           HA       LEU 123  -4.806   2.589  -1.415
  364    HB2  LEU 123           HB2      LEU 123  -2.247   4.010  -2.265
  365    HB3  LEU 123           HB3      LEU 123  -2.577   2.287  -2.460
  366    HG   LEU 123           HG       LEU 123  -4.103   4.591  -3.772
  367   HD11  LEU 123          HD11      LEU 123  -1.863   4.280  -4.651
  368   HD12  LEU 123          HD12      LEU 123  -2.116   2.532  -4.829
  369   HD13  LEU 123          HD13      LEU 123  -3.040   3.664  -5.837
  370   HD21  LEU 123          HD21      LEU 123  -5.165   2.817  -5.152
  371   HD22  LEU 123          HD22      LEU 123  -4.363   1.558  -4.172
  372   HD23  LEU 123          HD23      LEU 123  -5.593   2.610  -3.451
  373    H    GLY 124           H        GLY 124  -4.579   1.374   0.215
  374    HA2  GLY 124           HA2      GLY 124  -3.376   2.071   2.705
  375    HA3  GLY 124           HA3      GLY 124  -3.889   0.446   2.225
  376    H    HIS 125           H        HIS 125  -2.057   0.300  -0.027
  377    HA   HIS 125           HA       HIS 125  -0.122  -0.773  -0.477
  378    HB2  HIS 125           HB2      HIS 125   0.268   1.574  -0.845
  379    HB3  HIS 125           HB3      HIS 125   1.047   1.704   0.741
  380    HD1  HIS 125           HD1      HIS 125   3.136  -0.333   0.895
  381    HD2  HIS 125           HD2      HIS 125   1.939   1.250  -2.819
  382    HE1  HIS 125           HE1      HIS 125   5.121  -0.750  -0.751
  383    HE2  HIS 125           HE2      HIS 125   4.353   0.209  -3.016
  384    H5'   DC   1           H5'       DC   1  -4.980  29.153   7.566
  385   H5''   DC   1          H5''       DC   1  -3.622  29.978   6.814
  386    H4'   DC   1           H4'       DC   1  -3.259  29.928   9.169
  387    H3'   DC   1           H3'       DC   1  -1.438  28.829   7.351
  388    H2'   DC   1           H2'       DC   1  -1.522  26.663   7.940
  389   H2''   DC   1          H2''       DC   1  -0.519  27.093   9.310
  390    H1'   DC   1           H1'       DC   1  -2.246  27.248  10.810
  391    H41   DC   1           H41       DC   1  -5.087  21.577   8.899
  392    H42   DC   1           H42       DC   1  -4.944  21.574  10.664
  393    H5    DC   1           H5        DC   1  -4.307  23.481   7.541
  394    H6    DC   1           H6        DC   1  -3.346  25.703   7.686
  395   HO5'   DC   1          H5T        DC   1  -4.260  28.060   5.638
  396    H5'   DG   2           H5'       DG   2  -0.027  29.182  11.885
  397   H5''   DG   2          H5''       DG   2   1.547  29.978  11.908
  398    H4'   DG   2           H4'       DG   2   1.599  28.431  13.664
  399    H3'   DG   2           H3'       DG   2   3.458  28.114  11.572
  400    H2'   DG   2           H2'       DG   2   2.448  26.202  10.708
  401   H2''   DG   2          H2''       DG   2   3.516  25.399  11.872
  402    H1'   DG   2           H1'       DG   2   1.816  25.299  13.545
  403    H8    DG   2           H8        DG   2   0.576  25.349   9.919
  404    H1    DG   2           H1        DG   2  -1.346  20.278  13.397
  405    H21   DG   2           H21       DG   2   0.476  21.813  15.876
  406    H22   DG   2           H22       DG   2  -0.491  20.418  15.390
  407    H5'   DC   3           H5'       DC   3   3.923  25.650  15.587
  408   H5''   DC   3          H5''       DC   3   5.617  25.614  16.074
  409    H4'   DC   3           H4'       DC   3   4.529  23.584  16.757
  410    H3'   DC   3           H3'       DC   3   6.784  23.519  14.918
  411    H2'   DC   3           H2'       DC   3   5.990  21.988  13.469
  412   H2''   DC   3          H2''       DC   3   5.928  20.796  14.774
  413    H1'   DC   3           H1'       DC   3   3.722  21.082  15.211
  414    H41   DC   3           H41       DC   3   1.678  21.576   8.934
  415    H42   DC   3           H42       DC   3   1.029  20.110   9.674
  416    H5    DC   3           H5        DC   3   3.262  23.019  10.151
  417    H6    DC   3           H6        DC   3   4.322  23.349  12.376
  418    H5'   DA   4           H5'       DA   4   5.933  19.771  17.264
  419   H5''   DA   4          H5''       DA   4   7.349  19.086  18.054
  420    H4'   DA   4           H4'       DA   4   6.114  17.282  17.215
  421    H3'   DA   4           H3'       DA   4   8.739  17.749  16.136
  422    H2'   DA   4           H2'       DA   4   7.981  18.066  13.982
  423   H2''   DA   4          H2''       DA   4   8.014  16.305  13.904
  424    H1'   DA   4           H1'       DA   4   5.705  16.098  14.532
  425    H8    DA   4           H8        DA   4   6.628  19.433  12.913
  426    H61   DA   4           H61       DA   4   2.518  17.769   8.510
  427    H62   DA   4           H62       DA   4   3.527  19.090   9.073
  428    H2    DA   4           H2        DA   4   2.866  14.472  11.310
  429    H5'   DT   5           H5'       DT   5   6.894  13.535  15.389
  430   H5''   DT   5          H5''       DT   5   8.079  12.303  15.819
  431    H4'   DT   5           H4'       DT   5   6.904  11.513  13.927
  432    H3'   DT   5           H3'       DT   5   9.730  11.942  13.756
  433    H2'   DT   5           H2'       DT   5   9.609  13.521  12.100
  434   H2''   DT   5          H2''       DT   5   9.465  12.131  11.015
  435    H1'   DT   5           H1'       DT   5   7.090  12.161  11.043
  436    H3    DT   5           H3        DT   5   5.540  15.321   8.205
  437    H71   DT   5           H71       DT   5   8.051  18.621  10.708
  438    H72   DT   5           H72       DT   5   9.344  17.604  11.396
  439    H73   DT   5           H73       DT   5   9.322  17.981   9.662
  440    H6    DT   5           H6        DT   5   8.780  15.436  11.794
  441    H5'   DA   6           H5'       DA   6   7.277   9.125  10.928
  442   H5''   DA   6          H5''       DA   6   8.179   7.617  10.754
  443    H4'   DA   6           H4'       DA   6   6.845   7.886   8.838
  444    H3'   DA   6           H3'       DA   6   9.618   7.584   8.575
  445    H2'   DA   6           H2'       DA   6  10.108   9.732   7.981
  446   H2''   DA   6          H2''       DA   6   9.718   9.194   6.360
  447    H1'   DA   6           H1'       DA   6   7.547  10.052   6.396
  448    H8    DA   6           H8        DA   6   9.985  11.650   8.897
  449    H61   DA   6           H61       DA   6   8.340  16.955   5.998
  450    H62   DA   6           H62       DA   6   9.488  16.289   7.158
  451    H2    DA   6           H2        DA   6   5.922  13.748   4.379
  452    H5'   DT   7           H5'       DT   7   6.870   7.860   5.113
  453   H5''   DT   7          H5''       DT   7   7.087   6.698   3.809
  454    H4'   DT   7           H4'       DT   7   6.288   8.842   2.976
  455    H3'   DT   7           H3'       DT   7   8.582   7.532   1.922
  456    H2'   DT   7           H2'       DT   7  10.044   9.216   2.636
  457   H2''   DT   7          H2''       DT   7   9.570   9.962   1.093
  458    H1'   DT   7           H1'       DT   7   7.727  11.143   2.111
  459    H3    DT   7           H3        DT   7   9.871  14.930   3.289
  460    H71   DT   7           H71       DT   7  12.122  10.802   6.049
  461    H72   DT   7           H72       DT   7  13.146  12.137   5.466
  462    H73   DT   7           H73       DT   7  12.025  12.412   6.800
  463    H6    DT   7           H6        DT   7  10.413  10.312   4.531
  464    H5'   DA   8           H5'       DA   8   7.382  10.756  -1.424
  465   H5''   DA   8          H5''       DA   8   7.495   9.847  -2.927
  466    H4'   DA   8           H4'       DA   8   8.712  11.802  -3.321
  467    H3'   DA   8           H3'       DA   8  10.421   9.417  -2.977
  468    H2'   DA   8           H2'       DA   8  11.882  10.450  -1.612
  469   H2''   DA   8          H2''       DA   8  12.373  11.419  -3.027
  470    H1'   DA   8           H1'       DA   8  10.956  13.181  -2.522
  471    H8    DA   8           H8        DA   8  11.599  11.026   0.705
  472    H61   DA   8           H61       DA   8  13.434  16.627   2.927
  473    H62   DA   8           H62       DA   8  13.206  14.961   3.459
  474    H2    DA   8           H2        DA   8  12.221  17.164  -1.086
  475    H5'   DT   9           H5'       DT   9  10.830  12.840  -5.999
  476   H5''   DT   9          H5''       DT   9  11.419  12.188  -7.537
  477    H4'   DT   9           H4'       DT   9  11.953  14.521  -7.449
  478    H3'   DT   9           H3'       DT   9  13.940  12.565  -7.763
  479    H2'   DT   9           H2'       DT   9  15.044  12.875  -5.816
  480   H2''   DT   9          H2''       DT   9  15.789  14.264  -6.595
  481    H1'   DT   9           H1'       DT   9  14.306  15.815  -5.701
  482    H3    DT   9           H3        DT   9  15.344  16.435  -1.350
  483    H71   DT   9           H71       DT   9  14.290  11.785  -0.567
  484    H72   DT   9           H72       DT   9  14.623  11.079  -2.166
  485    H73   DT   9           H73       DT   9  15.952  11.647  -1.132
  486    H6    DT   9           H6        DT   9  14.170  12.528  -3.934
  487    H5'   DG  10           H5'       DG  10  14.734  17.116  -8.281
  488   H5''   DG  10          H5''       DG  10  15.519  17.376  -9.839
  489    H4'   DG  10           H4'       DG  10  16.191  19.141  -8.422
  490    H3'   DG  10           H3'       DG  10  18.103  17.486  -9.615
  491    H2'   DG  10           H2'       DG  10  18.635  16.316  -7.679
  492   H2''   DG  10          H2''       DG  10  19.813  17.618  -7.484
  493    H1'   DG  10           H1'       DG  10  18.392  18.878  -6.060
  494    H8    DG  10           H8        DG  10  17.738  15.106  -6.105
  495    H1    DG  10           H1        DG  10  19.086  17.563  -0.308
  496    H21   DG  10           H21       DG  10  19.433  20.483  -2.078
  497    H22   DG  10           H22       DG  10  19.596  19.646  -0.530
  498    H5'   DC  11           H5'       DC  11  19.455  21.415  -7.325
  499   H5''   DC  11          H5''       DC  11  20.493  22.298  -8.441
  500    H4'   DC  11           H4'       DC  11  21.083  22.916  -6.228
  501    H3'   DC  11           H3'       DC  11  22.989  21.917  -7.998
  502    H2'   DC  11           H2'       DC  11  23.316  19.860  -7.011
  503   H2''   DC  11          H2''       DC  11  24.428  20.728  -5.954
  504    H1'   DC  11           H1'       DC  11  22.884  21.023  -4.254
  505    H41   DC  11           H41       DC  11  21.062  14.672  -3.960
  506    H42   DC  11           H42       DC  11  21.427  15.254  -2.332
  507    H5    DC  11           H5        DC  11  21.334  16.095  -5.908
  508    H6    DC  11           H6        DC  11  21.843  18.423  -6.613
  509    H5'   DG  12           H5'       DG  12  25.007  23.242  -4.059
  510   H5''   DG  12          H5''       DG  12  26.587  23.998  -4.288
  511    H4'   DG  12           H4'       DG  12  26.808  22.332  -2.595
  512    H3'   DG  12           H3'       DG  12  28.046  21.511  -5.221
  513   HO3'   DG  12          H3T        DG  12  29.218  23.006  -3.894
  514    H2'   DG  12           H2'       DG  12  28.148  19.352  -4.640
  515   H2''   DG  12          H2''       DG  12  28.770  19.724  -3.010
  516    H1'   DG  12           H1'       DG  12  26.700  19.727  -2.049
  517    H8    DG  12           H8        DG  12  25.869  18.761  -5.673
  518    H1    DG  12           H1        DG  12  24.643  14.284  -1.193
  519    H21   DG  12           H21       DG  12  26.054  16.632   0.904
  520    H22   DG  12           H22       DG  12  25.445  14.986   0.743
  521    H5'   DC  13           H5'       DC  13  25.192   7.474   3.620
  522   H5''   DC  13          H5''       DC  13  24.605   7.526   5.277
  523    H4'   DC  13           H4'       DC  13  25.997   9.439   4.858
  524    H3'   DC  13           H3'       DC  13  23.405   9.614   5.850
  525    H2'   DC  13           H2'       DC  13  22.424  10.543   3.956
  526   H2''   DC  13          H2''       DC  13  22.973  12.067   4.679
  527    H1'   DC  13           H1'       DC  13  24.988  12.083   3.478
  528    H41   DC  13           H41       DC  13  22.047  11.691  -2.433
  529    H42   DC  13           H42       DC  13  23.265  12.968  -2.484
  530    H5    DC  13           H5        DC  13  21.627  10.384  -0.399
  531    H6    DC  13           H6        DC  13  22.397  10.022   1.883
  532   HO5'   DC  13          H5T        DC  13  22.934   6.905   3.756
  533    H5'   DG  14           H5'       DG  14  26.063  13.806   6.082
  534   H5''   DG  14          H5''       DG  14  25.860  14.188   7.790
  535    H4'   DG  14           H4'       DG  14  26.133  16.246   6.761
  536    H3'   DG  14           H3'       DG  14  23.754  15.794   8.114
  537    H2'   DG  14           H2'       DG  14  22.404  15.486   6.229
  538   H2''   DG  14          H2''       DG  14  22.236  17.222   6.326
  539    H1'   DG  14           H1'       DG  14  23.854  17.651   4.710
  540    H8    DG  14           H8        DG  14  22.363  14.137   4.572
  541    H1    DG  14           H1        DG  14  22.312  17.344  -1.016
  542    H21   DG  14           H21       DG  14  23.862  19.783   0.844
  543    H22   DG  14           H22       DG  14  23.188  19.305  -0.717
  544    H5'   DC  15           H5'       DC  15  24.194  19.904   6.195
  545   H5''   DC  15          H5''       DC  15  23.552  21.289   7.082
  546    H4'   DC  15           H4'       DC  15  22.981  21.420   4.731
  547    H3'   DC  15           H3'       DC  15  20.732  21.058   6.662
  548    H2'   DC  15           H2'       DC  15  19.347  20.181   5.128
  549   H2''   DC  15          H2''       DC  15  19.663  21.502   3.982
  550    H1'   DC  15           H1'       DC  15  21.326  20.437   2.889
  551    H41   DC  15           H41       DC  15  18.578  14.454   2.556
  552    H42   DC  15           H42       DC  15  18.513  15.243   0.974
  553    H5    DC  15           H5        DC  15  19.352  15.683   4.548
  554    H6    DC  15           H6        DC  15  20.385  17.820   5.268
  555    H5'   DA  16           H5'       DA  16  20.719  23.668   3.094
  556   H5''   DA  16          H5''       DA  16  20.157  25.318   3.361
  557    H4'   DA  16           H4'       DA  16  19.524  24.697   1.179
  558    H3'   DA  16           H3'       DA  16  17.560  25.445   3.074
  559    H2'   DA  16           H2'       DA  16  16.674  23.321   3.268
  560   H2''   DA  16          H2''       DA  16  15.656  23.849   1.928
  561    H1'   DA  16           H1'       DA  16  17.115  22.899   0.272
  562    H8    DA  16           H8        DA  16  17.350  21.281   3.722
  563    H61   DA  16           H61       DA  16  15.685  16.046   0.718
  564    H62   DA  16           H62       DA  16  16.241  16.655   2.267
  565    H2    DA  16           H2        DA  16  15.417  19.316  -2.095
  566    H5'   DT  17           H5'       DT  17  15.970  24.880  -1.198
  567   H5''   DT  17          H5''       DT  17  14.907  26.195  -1.711
  568    H4'   DT  17           H4'       DT  17  14.014  24.145  -2.521
  569    H3'   DT  17           H3'       DT  17  12.468  25.748  -0.687
  570    H2'   DT  17           H2'       DT  17  12.211  24.074   0.850
  571   H2''   DT  17          H2''       DT  17  10.943  23.461  -0.226
  572    H1'   DT  17           H1'       DT  17  12.462  22.053  -1.421
  573    H3    DT  17           H3        DT  17  12.869  18.246   0.991
  574    H71   DT  17           H71       DT  17  14.720  20.892   4.561
  575    H72   DT  17           H72       DT  17  13.913  22.456   4.273
  576    H73   DT  17           H73       DT  17  12.993  21.068   4.901
  577    H6    DT  17           H6        DT  17  13.492  22.890   2.074
  578    H5'   DA  18           H5'       DA  18  10.460  22.478  -2.935
  579   H5''   DA  18          H5''       DA  18   9.115  23.077  -3.908
  580    H4'   DA  18           H4'       DA  18   8.434  20.971  -3.252
  581    H3'   DA  18           H3'       DA  18   7.006  23.122  -1.880
  582    H2'   DA  18           H2'       DA  18   7.482  22.326   0.187
  583   H2''   DA  18          H2''       DA  18   6.186  21.156  -0.154
  584    H1'   DA  18           H1'       DA  18   7.688  19.518  -0.918
  585    H8    DA  18           H8        DA  18   9.064  21.933   1.733
  586    H61   DA  18           H61       DA  18  10.927  16.532   4.422
  587    H62   DA  18           H62       DA  18  10.842  18.266   4.751
  588    H2    DA  18           H2        DA  18   9.460  15.638   0.529
  589    H5'   DT  19           H5'       DT  19   5.763  18.824  -2.375
  590   H5''   DT  19          H5''       DT  19   4.221  18.791  -3.232
  591    H4'   DT  19           H4'       DT  19   3.958  16.999  -1.750
  592    H3'   DT  19           H3'       DT  19   2.398  19.319  -1.090
  593    H2'   DT  19           H2'       DT  19   3.696  19.892   0.715
  594   H2''   DT  19          H2''       DT  19   2.536  18.814   1.540
  595    H1'   DT  19           H1'       DT  19   3.929  16.869   1.150
  596    H3    DT  19           H3        DT  19   6.930  16.480   4.448
  597    H71   DT  19           H71       DT  19   7.759  21.203   4.213
  598    H72   DT  19           H72       DT  19   6.460  21.754   3.134
  599    H73   DT  19           H73       DT  19   6.109  21.310   4.820
  600    H6    DT  19           H6        DT  19   5.388  20.175   1.786
  601    H5'   DA  20           H5'       DA  20  -1.387  15.572  -0.184
  602   H5''   DA  20          H5''       DA  20  -0.071  16.300   0.721
  603    H4'   DA  20           H4'       DA  20  -0.053  13.359  -0.025
  604    H3'   DA  20           H3'       DA  20  -1.955  14.616   1.561
  605    H2'   DA  20           H2'       DA  20  -0.526  15.576   3.067
  606   H2''   DA  20          H2''       DA  20  -0.696  14.035   3.915
  607    H1'   DA  20           H1'       DA  20   1.309  13.157   3.115
  608    H8    DA  20           H8        DA  20   1.610  16.935   2.225
  609    H61   DA  20           H61       DA  20   5.171  17.381   7.287
  610    H62   DA  20           H62       DA  20   4.411  18.300   5.991
  611    H2    DA  20           H2        DA  20   3.892  13.255   6.990
  612    H5'   DT  21           H5'       DT  21  -0.484  11.148   3.892
  613   H5''   DT  21          H5''       DT  21  -1.841  10.027   3.991
  614    H4'   DT  21           H4'       DT  21  -0.729   9.753   6.013
  615    H3'   DT  21           H3'       DT  21  -3.328  10.682   6.110
  616    H2'   DT  21           H2'       DT  21  -2.870  12.893   6.621
  617   H2''   DT  21          H2''       DT  21  -2.884  12.264   8.286
  618    H1'   DT  21           H1'       DT  21  -0.597  11.987   8.389
  619    H3    DT  21           H3        DT  21   1.902  15.728   8.735
  620    H71   DT  21           H71       DT  21  -1.886  16.580   4.884
  621    H72   DT  21           H72       DT  21  -1.448  17.877   6.012
  622    H73   DT  21           H73       DT  21  -0.298  17.386   4.761
  623    H6    DT  21           H6        DT  21  -1.741  14.476   5.804
  624    H5'   DG  22           H5'       DG  22  -1.245   9.823  10.168
  625   H5''   DG  22          H5''       DG  22  -2.344   8.988  11.292
  626    H4'   DG  22           H4'       DG  22  -1.130  10.570  12.553
  627    H3'   DG  22           H3'       DG  22  -3.981  10.880  12.348
  628    H2'   DG  22           H2'       DG  22  -3.803  12.941  11.279
  629   H2''   DG  22          H2''       DG  22  -3.669  13.545  12.952
  630    H1'   DG  22           H1'       DG  22  -1.262  13.376  12.901
  631    H8    DG  22           H8        DG  22  -2.955  14.203   9.559
  632    H1    DG  22           H1        DG  22   1.086  18.657  11.889
  633    H21   DG  22           H21       DG  22   1.371  16.401  14.471
  634    H22   DG  22           H22       DG  22   1.788  17.999  13.839
  635    H5'   DC  23           H5'       DC  23  -1.262  12.548  15.858
  636   H5''   DC  23          H5''       DC  23  -2.075  12.016  17.330
  637    H4'   DC  23           H4'       DC  23  -0.736  13.884  17.892
  638    H3'   DC  23           H3'       DC  23  -3.486  13.902  18.375
  639    H2'   DC  23           H2'       DC  23  -4.100  15.437  16.774
  640   H2''   DC  23          H2''       DC  23  -3.658  16.634  17.972
  641    H1'   DC  23           H1'       DC  23  -1.528  16.990  17.118
  642    H41   DC  23           H41       DC  23  -3.794  17.928  10.966
  643    H42   DC  23           H42       DC  23  -2.791  19.305  11.439
  644    H5    DC  23           H5        DC  23  -4.213  16.071  12.493
  645    H6    DC  23           H6        DC  23  -3.617  15.177  14.735
  646    H5'   DG  24           H5'       DG  24  -1.676  17.718  20.194
  647   H5''   DG  24          H5''       DG  24  -2.418  18.168  21.729
  648    H4'   DG  24           H4'       DG  24  -2.423  20.100  20.358
  649    H3'   DG  24           H3'       DG  24  -5.173  18.846  20.488
  650   HO3'   DG  24          H3T        DG  24  -4.479  20.017  22.363
  651    H2'   DG  24           H2'       DG  24  -5.911  20.085  18.774
  652   H2''   DG  24          H2''       DG  24  -5.128  21.568  19.372
  653    H1'   DG  24           H1'       DG  24  -3.223  21.233  18.157
  654    H8    DG  24           H8        DG  24  -5.388  18.275  17.000
  655    H1    DG  24           H1        DG  24  -4.087  22.807  12.579
  656    H21   DG  24           H21       DG  24  -2.403  24.248  15.228
  657    H22   DG  24           H22       DG  24  -2.927  24.411  13.555
  Start of MODEL    2
    1    H    ALA  79           H1       ALA  79  -1.855   6.043   9.062
    2    HA   ALA  79           HA       ALA  79   1.066   5.733   9.474
    3    HB1  ALA  79           HB1      ALA  79  -0.163   3.601   9.349
    4    HB2  ALA  79           HB2      ALA  79  -1.009   4.152   7.893
    5    HB3  ALA  79           HB3      ALA  79   0.749   3.846   7.846
    6    H    ARG  80           H        ARG  80   2.367   5.995   7.625
    7    HA   ARG  80           HA       ARG  80   1.821   8.238   5.898
    8    HB2  ARG  80           HB2      ARG  80   4.025   6.151   5.907
    9    HB3  ARG  80           HB3      ARG  80   4.016   7.554   4.835
   10    HG2  ARG  80           HG2      ARG  80   3.711   7.910   7.819
   11    HG3  ARG  80           HG3      ARG  80   5.310   7.700   7.098
   12    HD2  ARG  80           HD2      ARG  80   5.168   9.727   5.896
   13    HD3  ARG  80           HD3      ARG  80   3.413   9.804   6.041
   14    HE   ARG  80           HE       ARG  80   5.429  10.514   8.112
   15   HH11  ARG  80          HH12      ARG  80   1.978  10.361   7.334
   16   HH12  ARG  80          HH11      ARG  80   1.608  11.422   8.660
   17   HH21  ARG  80          HH22      ARG  80   4.710  12.020   9.639
   18   HH22  ARG  80          HH21      ARG  80   2.993  12.222   9.898
   19    H    LYS  81           H        LYS  81  -0.332   7.175   5.270
   20    HA   LYS  81           HA       LYS  81  -0.722   5.200   3.329
   21    HB2  LYS  81           HB2      LYS  81  -2.179   7.787   4.040
   22    HB3  LYS  81           HB3      LYS  81  -2.804   6.661   2.849
   23    HG2  LYS  81           HG2      LYS  81  -3.431   5.099   4.388
   24    HG3  LYS  81           HG3      LYS  81  -2.118   5.477   5.521
   25    HD2  LYS  81           HD2      LYS  81  -3.232   7.465   6.296
   26    HD3  LYS  81           HD3      LYS  81  -4.503   7.319   5.067
   27    HE2  LYS  81           HE2      LYS  81  -5.359   5.284   6.059
   28    HE3  LYS  81           HE3      LYS  81  -3.969   5.138   7.134
   29    HZ1  LYS  81           HZ1      LYS  81  -4.675   7.101   8.327
   30    HZ2  LYS  81           HZ2      LYS  81  -5.918   7.381   7.295
   31    HZ3  LYS  81           HZ3      LYS  81  -5.941   6.064   8.276
   32    H    VAL  82           H        VAL  82  -0.507   5.072   1.358
   33    HA   VAL  82           HA       VAL  82   0.749   7.050  -0.397
   34    HB   VAL  82           HB       VAL  82  -0.555   4.358  -0.987
   35   HG11  VAL  82          HG11      VAL  82  -0.604   5.526  -3.040
   36   HG12  VAL  82          HG12      VAL  82   1.035   6.205  -2.807
   37   HG13  VAL  82          HG13      VAL  82   0.798   4.472  -3.124
   38   HG21  VAL  82          HG21      VAL  82   1.430   4.223   0.477
   39   HG22  VAL  82          HG22      VAL  82   1.674   3.465  -1.105
   40   HG23  VAL  82          HG23      VAL  82   2.383   5.060  -0.786
   41    H    LYS  83           H        LYS  83  -0.220   8.473  -1.727
   42    HA   LYS  83           HA       LYS  83  -3.095   8.136  -2.392
   43    HB2  LYS  83           HB2      LYS  83  -1.405  10.577  -1.932
   44    HB3  LYS  83           HB3      LYS  83  -2.549  10.610  -3.295
   45    HG2  LYS  83           HG2      LYS  83  -4.422  10.078  -1.896
   46    HG3  LYS  83           HG3      LYS  83  -3.383   9.932  -0.457
   47    HD2  LYS  83           HD2      LYS  83  -2.841  12.275  -0.506
   48    HD3  LYS  83           HD3      LYS  83  -3.457  12.450  -2.152
   49    HE2  LYS  83           HE2      LYS  83  -5.091  13.471  -0.813
   50    HE3  LYS  83           HE3      LYS  83  -5.764  11.928  -1.359
   51    HZ1  LYS  83           HZ1      LYS  83  -6.223  12.191   0.995
   52    HZ2  LYS  83           HZ2      LYS  83  -5.073  11.019   0.885
   53    HZ3  LYS  83           HZ3      LYS  83  -4.660  12.514   1.366
   54    H    GLN  84           H        GLN  84  -3.500   7.624  -4.423
   55    HA   GLN  84           HA       GLN  84  -1.320   7.606  -6.415
   56    HB2  GLN  84           HB2      GLN  84  -2.315   5.626  -6.906
   57    HB3  GLN  84           HB3      GLN  84  -3.812   6.028  -6.048
   58    HG2  GLN  84           HG2      GLN  84  -4.580   7.299  -7.969
   59    HG3  GLN  84           HG3      GLN  84  -3.067   6.930  -8.848
   60   HE21  GLN  84          HE22      GLN  84  -2.627   4.451  -9.158
   61   HE22  GLN  84          HE21      GLN  84  -4.057   3.469  -9.417
   62    H    TYR  85           H        TYR  85  -1.556   8.936  -8.158
   63    HA   TYR  85           HA       TYR  85  -3.844  10.864  -8.222
   64    HB2  TYR  85           HB2      TYR  85  -0.932  11.596  -8.759
   65    HB3  TYR  85           HB3      TYR  85  -2.318  12.667  -8.831
   66    HD1  TYR  85           HD2      TYR  85   0.043  10.914  -6.584
   67    HD2  TYR  85           HD1      TYR  85  -3.344  13.555  -6.824
   68    HE1  TYR  85           HE2      TYR  85   0.449  11.652  -4.246
   69    HE2  TYR  85           HE1      TYR  85  -2.964  14.310  -4.484
   70    HH   TYR  85           HH       TYR  85  -1.486  14.190  -2.646
   71    H    LYS  86           H        LYS  86  -4.621  11.213 -10.307
   72    HA   LYS  86           HA       LYS  86  -3.171  10.003 -12.632
   73    HB2  LYS  86           HB2      LYS  86  -4.832   8.394 -11.920
   74    HB3  LYS  86           HB3      LYS  86  -6.088   9.635 -11.812
   75    HG2  LYS  86           HG2      LYS  86  -6.153   9.926 -14.199
   76    HG3  LYS  86           HG3      LYS  86  -4.687   8.968 -14.438
   77    HD2  LYS  86           HD2      LYS  86  -5.896   6.961 -13.527
   78    HD3  LYS  86           HD3      LYS  86  -7.369   7.949 -13.407
   79    HE2  LYS  86           HE2      LYS  86  -7.234   8.388 -15.879
   80    HE3  LYS  86           HE3      LYS  86  -5.794   7.365 -15.963
   81    HZ1  LYS  86           HZ1      LYS  86  -7.178   5.480 -15.223
   82    HZ2  LYS  86           HZ2      LYS  86  -8.506   6.433 -15.124
   83    HZ3  LYS  86           HZ3      LYS  86  -7.819   6.130 -16.572
   84    H    ASN  87           H        ASN  87  -3.202  11.236 -14.436
   85    HA   ASN  87           HA       ASN  87  -4.416  13.945 -14.139
   86    HB2  ASN  87           HB2      ASN  87  -2.041  13.699 -14.302
   87    HB3  ASN  87           HB3      ASN  87  -2.168  12.939 -15.892
   88   HD21  ASN  87          HD21      ASN  87  -0.735  15.391 -15.181
   89   HD22  ASN  87          HD22      ASN  87  -1.540  16.685 -16.062
   90    HA   PRO  88           HA       PRO  88  -7.545  12.683 -17.228
   91    HB2  PRO  88           HB2      PRO  88  -8.102  15.635 -16.889
   92    HB3  PRO  88           HB3      PRO  88  -9.265  14.279 -17.000
   93    HG2  PRO  88           HG2      PRO  88  -8.670  15.359 -14.593
   94    HG3  PRO  88           HG3      PRO  88  -8.771  13.579 -14.767
   95    HD2  PRO  88           HD2      PRO  88  -6.306  15.323 -14.719
   96    HD3  PRO  88           HD3      PRO  88  -6.623  13.765 -13.898
   97    H    HIS  89           H        HIS  89  -5.197  15.327 -17.507
   98    HA   HIS  89           HA       HIS  89  -5.826  15.889 -20.323
   99    HB2  HIS  89           HB2      HIS  89  -3.618  16.987 -18.534
  100    HB3  HIS  89           HB3      HIS  89  -4.138  17.646 -20.080
  101    HD1  HIS  89           HD1      HIS  89  -6.728  18.700 -20.102
  102    HD2  HIS  89           HD2      HIS  89  -4.951  17.775 -16.386
  103    HE1  HIS  89           HE1      HIS  89  -8.118  19.923 -18.308
  104    HE2  HIS  89           HE2      HIS  89  -7.026  19.366 -16.047
  105    H    THR  90           H        THR  90  -3.579  13.796 -18.692
  106    HA   THR  90           HA       THR  90  -2.055  13.360 -21.252
  107    HB   THR  90           HB       THR  90  -0.093  12.942 -19.922
  108    HG1  THR  90           HG1      THR  90  -0.226  13.192 -17.647
  109   HG21  THR  90          HG21      THR  90   0.328  15.092 -18.887
  110   HG22  THR  90          HG22      THR  90  -0.637  15.373 -20.349
  111   HG23  THR  90          HG23      THR  90  -1.412  15.426 -18.747
  112    H    GLY  91           H        GLY  91  -3.794  11.780 -18.642
  113    HA2  GLY  91           HA2      GLY  91  -4.445   9.578 -18.420
  114    HA3  GLY  91           HA3      GLY  91  -3.563   9.141 -19.891
  115    H    GLU  92           H        GLU  92  -1.541  10.866 -17.641
  116    HA   GLU  92           HA       GLU  92  -0.070   8.453 -16.957
  117    HB2  GLU  92           HB2      GLU  92   0.378  11.409 -16.545
  118    HB3  GLU  92           HB3      GLU  92   1.316  10.224 -15.643
  119    HG2  GLU  92           HG2      GLU  92   1.128  10.003 -18.637
  120    HG3  GLU  92           HG3      GLU  92   2.264  11.131 -17.860
  121    H    VAL  93           H        VAL  93   0.381   7.926 -14.916
  122    HA   VAL  93           HA       VAL  93  -1.322   8.810 -12.649
  123    HB   VAL  93           HB       VAL  93  -0.578   5.981 -13.325
  124   HG11  VAL  93          HG11      VAL  93  -2.404   5.359 -11.684
  125   HG12  VAL  93          HG12      VAL  93  -1.067   6.179 -10.903
  126   HG13  VAL  93          HG13      VAL  93  -2.568   7.068 -11.254
  127   HG21  VAL  93          HG21      VAL  93  -3.037   5.670 -13.899
  128   HG22  VAL  93          HG22      VAL  93  -3.203   7.441 -13.806
  129   HG23  VAL  93          HG23      VAL  93  -2.153   6.709 -15.025
  130    H    ILE  94           H        ILE  94  -0.441   8.392 -10.639
  131    HA   ILE  94           HA       ILE  94   2.366   7.612 -10.255
  132    HB   ILE  94           HB       ILE  94   1.836   9.885  -8.554
  133   HG12  ILE  94          HG12      ILE  94   1.863  10.750 -11.468
  134   HG13  ILE  94          HG13      ILE  94   0.442  10.781 -10.413
  135   HG21  ILE  94          HG21      ILE  94   4.028  10.554  -9.158
  136   HG22  ILE  94          HG22      ILE  94   4.038   8.802  -9.107
  137   HG23  ILE  94          HG23      ILE  94   3.974   9.638 -10.690
  138   HD11  ILE  94          HD11      ILE  94   1.688  12.234  -8.813
  139   HD12  ILE  94          HD12      ILE  94   2.986  12.362 -10.022
  140   HD13  ILE  94          HD13      ILE  94   1.372  12.982 -10.398
  141    H    GLU  95           H        GLU  95   2.843   7.534  -7.946
  142    HA   GLU  95           HA       GLU  95   0.669   7.287  -5.972
  143    HB2  GLU  95           HB2      GLU  95   2.485   5.070  -6.923
  144    HB3  GLU  95           HB3      GLU  95   1.894   5.094  -5.238
  145    HG2  GLU  95           HG2      GLU  95  -0.403   5.062  -5.953
  146    HG3  GLU  95           HG3      GLU  95   0.065   5.158  -7.654
  147    H    THR  96           H        THR  96   1.380   8.467  -4.275
  148    HA   THR  96           HA       THR  96   4.186   8.230  -3.346
  149    HB   THR  96           HB       THR  96   4.885  10.300  -3.719
  150    HG1  THR  96           HG1      THR  96   3.661  12.142  -3.414
  151   HG21  THR  96          HG21      THR  96   2.498  10.581  -5.612
  152   HG22  THR  96          HG22      THR  96   3.971  11.576  -5.625
  153   HG23  THR  96          HG23      THR  96   4.075   9.871  -6.043
  154    H    LYS  97           H        LYS  97   4.463   8.774  -1.118
  155    HA   LYS  97           HA       LYS  97   1.946   8.814   0.488
  156    HB2  LYS  97           HB2      LYS  97   4.826   8.640   1.354
  157    HB3  LYS  97           HB3      LYS  97   3.424   8.365   2.379
  158    HG2  LYS  97           HG2      LYS  97   2.859   6.332   1.212
  159    HG3  LYS  97           HG3      LYS  97   4.101   6.604  -0.021
  160    HD2  LYS  97           HD2      LYS  97   5.875   6.418   1.626
  161    HD3  LYS  97           HD3      LYS  97   4.689   6.192   2.934
  162    HE2  LYS  97           HE2      LYS  97   3.908   4.106   1.900
  163    HE3  LYS  97           HE3      LYS  97   4.984   4.354   0.513
  164    HZ1  LYS  97           HZ1      LYS  97   6.892   4.141   2.022
  165    HZ2  LYS  97           HZ2      LYS  97   5.912   3.932   3.320
  166    HZ3  LYS  97           HZ3      LYS  97   5.958   2.810   2.136
  167    H    GLY  98           H        GLY  98   3.409  11.160  -1.044
  168    HA2  GLY  98           HA2      GLY  98   2.733  13.479  -0.355
  169    HA3  GLY  98           HA3      GLY  98   3.580  13.159   1.161
  170    H    GLY  99           H        GLY  99   4.713  15.092   0.574
  171    HA2  GLY  99           HA2      GLY  99   6.732  16.033   0.272
  172    HA3  GLY  99           HA3      GLY  99   7.339  14.469  -0.243
  173    H    ASN 100           H        ASN 100   8.428  16.663  -1.157
  174    HA   ASN 100           HA       ASN 100   7.813  17.592  -3.767
  175    HB2  ASN 100           HB2      ASN 100   9.473  18.697  -2.447
  176    HB3  ASN 100           HB3      ASN 100  10.270  17.194  -2.059
  177   HD21  ASN 100          HD22      ASN 100  12.084  18.688  -2.541
  178   HD22  ASN 100          HD21      ASN 100  12.778  18.343  -4.116
  179    H    HIS 101           H        HIS 101   7.134  16.115  -5.247
  180    HA   HIS 101           HA       HIS 101   9.017  13.958  -6.063
  181    HB2  HIS 101           HB2      HIS 101   7.074  13.069  -4.722
  182    HB3  HIS 101           HB3      HIS 101   5.985  13.659  -5.964
  183    HD1  HIS 101           HD1      HIS 101   8.939  11.093  -5.606
  184    HD2  HIS 101           HD2      HIS 101   5.605  12.052  -8.036
  185    HE1  HIS 101           HE1      HIS 101   8.698   9.187  -7.284
  186    HE2  HIS 101           HE2      HIS 101   6.697   9.768  -8.790
  187    H    LYS 102           H        LYS 102   9.444  13.880  -8.218
  188    HA   LYS 102           HA       LYS 102   9.280  16.217  -9.665
  189    HB2  LYS 102           HB2      LYS 102  10.889  14.341  -9.903
  190    HB3  LYS 102           HB3      LYS 102   9.726  13.491 -10.942
  191    HG2  LYS 102           HG2      LYS 102   9.812  15.306 -12.572
  192    HG3  LYS 102           HG3      LYS 102  10.656  16.346 -11.418
  193    HD2  LYS 102           HD2      LYS 102  12.479  14.403 -11.449
  194    HD3  LYS 102           HD3      LYS 102  11.745  14.021 -13.022
  195    HE2  LYS 102           HE2      LYS 102  12.123  16.327 -13.781
  196    HE3  LYS 102           HE3      LYS 102  12.586  16.798 -12.133
  197    HZ1  LYS 102           HZ1      LYS 102  14.146  14.894 -13.814
  198    HZ2  LYS 102           HZ2      LYS 102  14.552  16.461 -13.548
  199    HZ3  LYS 102           HZ3      LYS 102  14.543  15.398 -12.297
  200    H    THR 103           H        THR 103   7.416  13.374 -10.930
  201    HA   THR 103           HA       THR 103   5.988  14.899 -12.826
  202    HB   THR 103           HB       THR 103   4.958  12.391 -11.465
  203    HG1  THR 103           HG1      THR 103   6.038  11.370 -13.198
  204   HG21  THR 103          HG21      THR 103   3.212  13.374 -12.782
  205   HG22  THR 103          HG22      THR 103   4.342  13.838 -14.070
  206   HG23  THR 103          HG23      THR 103   3.904  12.121 -13.820
  207    H    LEU 104           H        LEU 104   5.067  14.170  -9.474
  208    HA   LEU 104           HA       LEU 104   2.458  15.304  -9.502
  209    HB2  LEU 104           HB2      LEU 104   3.422  13.772  -7.766
  210    HB3  LEU 104           HB3      LEU 104   4.492  15.065  -7.232
  211    HG   LEU 104           HG       LEU 104   2.558  16.397  -6.492
  212   HD11  LEU 104          HD11      LEU 104   0.812  15.556  -8.043
  213   HD12  LEU 104          HD12      LEU 104   0.914  13.946  -7.290
  214   HD13  LEU 104          HD13      LEU 104   0.316  15.323  -6.358
  215   HD21  LEU 104          HD21      LEU 104   3.664  14.830  -4.933
  216   HD22  LEU 104          HD22      LEU 104   1.940  14.999  -4.581
  217   HD23  LEU 104          HD23      LEU 104   2.525  13.549  -5.415
  218    H    LYS 105           H        LYS 105   5.659  16.834  -9.001
  219    HA   LYS 105           HA       LYS 105   4.583  19.454  -8.377
  220    HB2  LYS 105           HB2      LYS 105   6.837  18.758  -7.647
  221    HB3  LYS 105           HB3      LYS 105   7.344  18.548  -9.317
  222    HG2  LYS 105           HG2      LYS 105   8.251  20.615  -8.445
  223    HG3  LYS 105           HG3      LYS 105   7.137  20.942  -9.756
  224    HD2  LYS 105           HD2      LYS 105   6.754  22.597  -8.108
  225    HD3  LYS 105           HD3      LYS 105   5.365  21.519  -8.007
  226    HE2  LYS 105           HE2      LYS 105   6.508  20.355  -6.048
  227    HE3  LYS 105           HE3      LYS 105   7.825  21.528  -6.194
  228    HZ1  LYS 105           HZ1      LYS 105   6.028  23.292  -5.831
  229    HZ2  LYS 105           HZ2      LYS 105   5.005  22.063  -5.376
  230    HZ3  LYS 105           HZ3      LYS 105   6.343  22.342  -4.531
  231    H    GLU 106           H        GLU 106   5.436  17.849 -11.466
  232    HA   GLU 106           HA       GLU 106   5.315  20.280 -12.999
  233    HB2  GLU 106           HB2      GLU 106   4.602  17.523 -14.019
  234    HB3  GLU 106           HB3      GLU 106   5.166  18.932 -14.952
  235    HG2  GLU 106           HG2      GLU 106   7.309  18.706 -13.497
  236    HG3  GLU 106           HG3      GLU 106   6.612  17.135 -13.052
  237    H    TRP 107           H        TRP 107   2.990  17.748 -12.215
  238    HA   TRP 107           HA       TRP 107   0.764  18.875 -13.605
  239    HB2  TRP 107           HB2      TRP 107   0.743  17.216 -11.067
  240    HB3  TRP 107           HB3      TRP 107  -0.649  17.558 -12.095
  241    HD1  TRP 107           HD1      TRP 107   2.123  16.763 -14.386
  242    HE1  TRP 107           HE1      TRP 107   2.025  14.314 -15.126
  243    HE3  TRP 107           HE3      TRP 107  -1.327  15.020 -11.020
  244    HZ2  TRP 107           HZ2      TRP 107   0.822  11.887 -14.232
  245    HZ3  TRP 107           HZ3      TRP 107  -1.989  12.632 -11.063
  246    HH2  TRP 107           HH2      TRP 107  -0.893  11.051 -12.641
  247    H    LYS 108           H        LYS 108   1.913  19.593 -10.304
  248    HA   LYS 108           HA       LYS 108  -0.210  21.464  -9.668
  249    HB2  LYS 108           HB2      LYS 108   2.657  21.238  -8.641
  250    HB3  LYS 108           HB3      LYS 108   1.473  22.405  -8.033
  251    HG2  LYS 108           HG2      LYS 108  -0.069  20.493  -7.492
  252    HG3  LYS 108           HG3      LYS 108   1.230  19.378  -7.916
  253    HD2  LYS 108           HD2      LYS 108   2.710  20.544  -6.238
  254    HD3  LYS 108           HD3      LYS 108   1.323  21.544  -5.765
  255    HE2  LYS 108           HE2      LYS 108   0.064  19.341  -5.289
  256    HE3  LYS 108           HE3      LYS 108   1.587  18.503  -5.598
  257    HZ1  LYS 108           HZ1      LYS 108   1.540  18.812  -3.309
  258    HZ2  LYS 108           HZ2      LYS 108   2.538  20.053  -3.808
  259    HZ3  LYS 108           HZ3      LYS 108   0.993  20.368  -3.377
  260    H    ALA 109           H        ALA 109   2.890  21.833 -11.439
  261    HA   ALA 109           HA       ALA 109   2.794  24.687 -11.577
  262    HB1  ALA 109           HB1      ALA 109   4.494  24.406 -13.307
  263    HB2  ALA 109           HB2      ALA 109   4.828  23.233 -12.000
  264    HB3  ALA 109           HB3      ALA 109   4.082  22.709 -13.529
  265    H    LYS 110           H        LYS 110   1.933  22.107 -13.846
  266    HA   LYS 110           HA       LYS 110   1.147  23.726 -15.898
  267    HB2  LYS 110           HB2      LYS 110   0.889  20.791 -15.307
  268    HB3  LYS 110           HB3      LYS 110   0.215  21.455 -16.812
  269    HG2  LYS 110           HG2      LYS 110   2.435  22.347 -17.428
  270    HG3  LYS 110           HG3      LYS 110   3.119  21.752 -15.917
  271    HD2  LYS 110           HD2      LYS 110   3.765  20.159 -17.535
  272    HD3  LYS 110           HD3      LYS 110   2.453  19.411 -16.628
  273    HE2  LYS 110           HE2      LYS 110   1.949  18.899 -18.869
  274    HE3  LYS 110           HE3      LYS 110   0.874  20.250 -18.494
  275    HZ1  LYS 110           HZ1      LYS 110   1.978  20.550 -20.651
  276    HZ2  LYS 110           HZ2      LYS 110   2.462  21.735 -19.643
  277    HZ3  LYS 110           HZ3      LYS 110   3.459  20.484 -19.973
  278    H    TRP 111           H        TRP 111  -0.868  22.191 -13.440
  279    HA   TRP 111           HA       TRP 111  -3.303  23.560 -14.553
  280    HB2  TRP 111           HB2      TRP 111  -3.190  20.746 -13.441
  281    HB3  TRP 111           HB3      TRP 111  -4.636  21.591 -13.972
  282    HD1  TRP 111           HD1      TRP 111  -4.839  22.069 -16.656
  283    HE1  TRP 111           HE1      TRP 111  -3.882  20.834 -18.690
  284    HE3  TRP 111           HE3      TRP 111  -1.239  19.347 -14.299
  285    HZ2  TRP 111           HZ2      TRP 111  -1.773  18.923 -19.230
  286    HZ3  TRP 111           HZ3      TRP 111   0.332  17.910 -15.618
  287    HH2  TRP 111           HH2      TRP 111   0.031  17.630 -18.051
  288    H    GLY 112           H        GLY 112  -2.052  22.008 -11.527
  289    HA2  GLY 112           HA2      GLY 112  -1.882  23.973  -9.825
  290    HA3  GLY 112           HA3      GLY 112  -3.630  24.015  -9.928
  291    HA   PRO 113           HA       PRO 113  -2.043  20.775  -6.748
  292    HB2  PRO 113           HB2      PRO 113  -2.424  22.214  -4.394
  293    HB3  PRO 113           HB3      PRO 113  -0.875  22.002  -5.255
  294    HG2  PRO 113           HG2      PRO 113  -2.800  24.323  -5.384
  295    HG3  PRO 113           HG3      PRO 113  -1.008  24.356  -5.286
  296    HD2  PRO 113           HD2      PRO 113  -2.337  24.737  -7.621
  297    HD3  PRO 113           HD3      PRO 113  -0.786  23.842  -7.572
  298    H    GLU 114           H        GLU 114  -4.772  23.107  -6.634
  299    HA   GLU 114           HA       GLU 114  -6.560  21.563  -5.048
  300    HB2  GLU 114           HB2      GLU 114  -7.348  23.287  -7.410
  301    HB3  GLU 114           HB3      GLU 114  -8.259  22.921  -5.916
  302    HG2  GLU 114           HG2      GLU 114  -6.457  24.208  -4.664
  303    HG3  GLU 114           HG3      GLU 114  -5.800  24.658  -6.246
  304    H    ALA 115           H        ALA 115  -6.036  21.728  -8.485
  305    HA   ALA 115           HA       ALA 115  -7.965  19.849  -9.395
  306    HB1  ALA 115           HB1      ALA 115  -5.241  20.366 -10.682
  307    HB2  ALA 115           HB2      ALA 115  -6.771  19.944 -11.468
  308    HB3  ALA 115           HB3      ALA 115  -6.586  21.559 -10.739
  309    H    VAL 116           H        VAL 116  -4.477  19.536  -8.870
  310    HA   VAL 116           HA       VAL 116  -4.157  16.900  -9.413
  311    HB   VAL 116           HB       VAL 116  -2.639  18.868  -7.712
  312   HG11  VAL 116          HG11      VAL 116  -1.626  16.087  -8.373
  313   HG12  VAL 116          HG12      VAL 116  -0.664  17.441  -7.707
  314   HG13  VAL 116          HG13      VAL 116  -1.953  16.725  -6.745
  315   HG21  VAL 116          HG21      VAL 116  -1.161  18.894  -9.648
  316   HG22  VAL 116          HG22      VAL 116  -2.040  17.517 -10.369
  317   HG23  VAL 116          HG23      VAL 116  -2.827  19.093 -10.235
  318    H    GLU 117           H        GLU 117  -4.744  18.315  -6.158
  319    HA   GLU 117           HA       GLU 117  -4.762  15.770  -4.746
  320    HB2  GLU 117           HB2      GLU 117  -5.968  18.511  -4.113
  321    HB3  GLU 117           HB3      GLU 117  -6.009  17.126  -3.021
  322    HG2  GLU 117           HG2      GLU 117  -3.539  17.071  -2.956
  323    HG3  GLU 117           HG3      GLU 117  -3.465  18.464  -4.040
  324    H    SER 118           H        SER 118  -7.274  17.646  -6.486
  325    HA   SER 118           HA       SER 118  -9.511  16.116  -5.448
  326    HB2  SER 118           HB2      SER 118  -9.337  17.778  -7.995
  327    HB3  SER 118           HB3      SER 118 -10.814  17.094  -7.297
  328    HG   SER 118           HG       SER 118  -9.107  19.086  -6.242
  329    H    TRP 119           H        TRP 119  -7.331  15.680  -8.197
  330    HA   TRP 119           HA       TRP 119  -8.774  13.451  -9.363
  331    HB2  TRP 119           HB2      TRP 119  -5.815  14.053  -9.582
  332    HB3  TRP 119           HB3      TRP 119  -6.821  13.102 -10.661
  333    HD1  TRP 119           HD1      TRP 119  -9.113  15.529 -10.855
  334    HE1  TRP 119           HE1      TRP 119  -8.601  17.489 -12.431
  335    HE3  TRP 119           HE3      TRP 119  -4.053  14.870 -11.356
  336    HZ2  TRP 119           HZ2      TRP 119  -6.279  18.655 -13.703
  337    HZ3  TRP 119           HZ3      TRP 119  -2.727  16.399 -12.803
  338    HH2  TRP 119           HH2      TRP 119  -3.824  18.290 -13.964
  339    H    ALA 120           H        ALA 120  -6.983  13.575  -6.376
  340    HA   ALA 120           HA       ALA 120  -5.546  11.182  -6.690
  341    HB1  ALA 120           HB1      ALA 120  -5.061  13.093  -5.074
  342    HB2  ALA 120           HB2      ALA 120  -6.317  12.396  -4.025
  343    HB3  ALA 120           HB3      ALA 120  -4.878  11.436  -4.444
  344    H    THR 121           H        THR 121  -5.597   9.553  -5.214
  345    HA   THR 121           HA       THR 121  -8.154   8.131  -4.448
  346    HB   THR 121           HB       THR 121  -5.828   7.068  -6.071
  347    HG1  THR 121           HG1      THR 121  -7.405   6.896  -7.752
  348   HG21  THR 121          HG21      THR 121  -8.453   5.893  -5.087
  349   HG22  THR 121          HG22      THR 121  -7.478   5.103  -6.361
  350   HG23  THR 121          HG23      THR 121  -6.810   5.294  -4.733
  351    H    LEU 122           H        LEU 122  -7.890   6.881  -2.645
  352    HA   LEU 122           HA       LEU 122  -5.324   7.218  -1.146
  353    HB2  LEU 122           HB2      LEU 122  -7.246   8.142  -0.055
  354    HB3  LEU 122           HB3      LEU 122  -8.208   6.698  -0.356
  355    HG   LEU 122           HG       LEU 122  -6.821   5.389   1.199
  356   HD11  LEU 122          HD11      LEU 122  -5.209   6.434   2.710
  357   HD12  LEU 122          HD12      LEU 122  -4.643   6.551   1.046
  358   HD13  LEU 122          HD13      LEU 122  -5.351   7.977   1.831
  359   HD21  LEU 122          HD21      LEU 122  -7.815   7.985   2.422
  360   HD22  LEU 122          HD22      LEU 122  -8.811   6.567   2.027
  361   HD23  LEU 122          HD23      LEU 122  -7.565   6.445   3.280
  362    H    LEU 123           H        LEU 123  -4.028   5.556  -0.921
  363    HA   LEU 123           HA       LEU 123  -4.967   2.754  -1.344
  364    HB2  LEU 123           HB2      LEU 123  -2.371   4.117  -2.182
  365    HB3  LEU 123           HB3      LEU 123  -2.740   2.399  -2.375
  366    HG   LEU 123           HG       LEU 123  -4.205   4.744  -3.686
  367   HD11  LEU 123          HD11      LEU 123  -2.286   2.626  -4.749
  368   HD12  LEU 123          HD12      LEU 123  -3.182   3.776  -5.757
  369   HD13  LEU 123          HD13      LEU 123  -1.982   4.369  -4.578
  370   HD21  LEU 123          HD21      LEU 123  -5.318   2.991  -5.070
  371   HD22  LEU 123          HD22      LEU 123  -4.560   1.724  -4.074
  372   HD23  LEU 123          HD23      LEU 123  -5.761   2.812  -3.368
  373    H    GLY 124           H        GLY 124  -4.882   1.597   0.333
  374    HA2  GLY 124           HA2      GLY 124  -3.384   2.311   2.731
  375    HA3  GLY 124           HA3      GLY 124  -4.478   0.945   2.528
  376    H    HIS 125           H        HIS 125  -2.568   0.316   0.052
  377    HA   HIS 125           HA       HIS 125  -0.154  -0.723   1.388
  378    HB2  HIS 125           HB2      HIS 125  -1.742  -2.453   1.830
  379    HB3  HIS 125           HB3      HIS 125  -2.231  -2.528   0.132
  380    HD1  HIS 125           HD1      HIS 125   0.737  -3.474   2.417
  381    HD2  HIS 125           HD2      HIS 125  -0.676  -3.932  -1.536
  382    HE1  HIS 125           HE1      HIS 125   2.246  -5.244   1.308
  383    HE2  HIS 125           HE2      HIS 125   1.376  -5.520  -1.106
  384    H5'   DC   1           H5'       DC   1  -5.181  28.839   8.216
  385   H5''   DC   1          H5''       DC   1  -3.858  29.693   7.422
  386    H4'   DC   1           H4'       DC   1  -3.434  29.631   9.775
  387    H3'   DC   1           H3'       DC   1  -1.640  28.596   7.892
  388    H2'   DC   1           H2'       DC   1  -1.656  26.424   8.453
  389   H2''   DC   1          H2''       DC   1  -0.626  26.861   9.799
  390    H1'   DC   1           H1'       DC   1  -2.311  26.959  11.348
  391    H41   DC   1           H41       DC   1  -5.069  21.237   9.465
  392    H42   DC   1           H42       DC   1  -4.868  21.217  11.223
  393    H5    DC   1           H5        DC   1  -4.372  23.177   8.098
  394    H6    DC   1           H6        DC   1  -3.456  25.415   8.238
  395   HO5'   DC   1          H5T        DC   1  -4.504  27.773   6.254
  396    H5'   DG   2           H5'       DG   2  -0.055  28.928  12.388
  397   H5''   DG   2          H5''       DG   2   1.506  29.744  12.341
  398    H4'   DG   2           H4'       DG   2   1.652  28.184  14.077
  399    H3'   DG   2           H3'       DG   2   3.424  27.931  11.906
  400    H2'   DG   2           H2'       DG   2   2.423  26.014  11.056
  401   H2''   DG   2          H2''       DG   2   3.558  25.215  12.161
  402    H1'   DG   2           H1'       DG   2   1.937  25.053  13.905
  403    H8    DG   2           H8        DG   2   0.529  25.140  10.345
  404    H1    DG   2           H1        DG   2  -1.122  19.958  13.805
  405    H21   DG   2           H21       DG   2   0.787  21.483  16.220
  406    H22   DG   2           H22       DG   2  -0.175  20.075  15.751
  407    H5'   DC   3           H5'       DC   3   4.101  25.402  15.833
  408   H5''   DC   3          H5''       DC   3   5.813  25.416  16.265
  409    H4'   DC   3           H4'       DC   3   4.829  23.341  16.956
  410    H3'   DC   3           H3'       DC   3   6.993  23.376  14.998
  411    H2'   DC   3           H2'       DC   3   6.176  21.833  13.571
  412   H2''   DC   3          H2''       DC   3   6.209  20.628  14.867
  413    H1'   DC   3           H1'       DC   3   4.016  20.849  15.400
  414    H41   DC   3           H41       DC   3   1.656  21.389   9.242
  415    H42   DC   3           H42       DC   3   1.086  19.883   9.979
  416    H5    DC   3           H5        DC   3   3.258  22.841  10.401
  417    H6    DC   3           H6        DC   3   4.425  23.165  12.573
  418    H5'   DA   4           H5'       DA   4   6.385  19.600  17.384
  419   H5''   DA   4          H5''       DA   4   7.864  18.939  18.085
  420    H4'   DA   4           H4'       DA   4   6.599  17.121  17.295
  421    H3'   DA   4           H3'       DA   4   9.168  17.625  16.106
  422    H2'   DA   4           H2'       DA   4   8.314  17.949  14.001
  423   H2''   DA   4          H2''       DA   4   8.362  16.189  13.896
  424    H1'   DA   4           H1'       DA   4   6.078  15.960  14.627
  425    H8    DA   4           H8        DA   4   6.908  19.313  12.989
  426    H61   DA   4           H61       DA   4   2.642  17.640   8.750
  427    H62   DA   4           H62       DA   4   3.681  18.956   9.275
  428    H2    DA   4           H2        DA   4   3.105  14.338  11.538
  429    H5'   DT   5           H5'       DT   5   7.309  13.463  15.385
  430   H5''   DT   5          H5''       DT   5   8.489  12.203  15.766
  431    H4'   DT   5           H4'       DT   5   7.239  11.443  13.919
  432    H3'   DT   5           H3'       DT   5  10.054  11.842  13.633
  433    H2'   DT   5           H2'       DT   5   9.869  13.458  12.014
  434   H2''   DT   5          H2''       DT   5   9.685  12.080  10.912
  435    H1'   DT   5           H1'       DT   5   7.313  12.107  11.040
  436    H3    DT   5           H3        DT   5   5.649  15.273   8.279
  437    H71   DT   5           H71       DT   5   8.244  18.563  10.718
  438    H72   DT   5           H72       DT   5   9.569  17.549  11.342
  439    H73   DT   5           H73       DT   5   9.475  17.943   9.611
  440    H6    DT   5           H6        DT   5   9.041  15.367  11.727
  441    H5'   DA   6           H5'       DA   6   7.431   9.040  10.947
  442   H5''   DA   6          H5''       DA   6   8.310   7.530  10.702
  443    H4'   DA   6           H4'       DA   6   6.843   7.832   8.878
  444    H3'   DA   6           H3'       DA   6   9.571   7.437   8.444
  445    H2'   DA   6           H2'       DA   6  10.089   9.595   7.902
  446   H2''   DA   6          H2''       DA   6   9.656   9.082   6.279
  447    H1'   DA   6           H1'       DA   6   7.486   9.973   6.397
  448    H8    DA   6           H8        DA   6  10.040  11.539   8.798
  449    H61   DA   6           H61       DA   6   8.308  16.875   6.014
  450    H62   DA   6           H62       DA   6   9.494  16.195   7.131
  451    H2    DA   6           H2        DA   6   5.845  13.695   4.426
  452    H5'   DT   7           H5'       DT   7   6.727   7.916   5.088
  453   H5''   DT   7          H5''       DT   7   6.853   6.756   3.768
  454    H4'   DT   7           H4'       DT   7   6.196   8.943   2.956
  455    H3'   DT   7           H3'       DT   7   8.473   7.555   1.904
  456    H2'   DT   7           H2'       DT   7   9.958   9.216   2.588
  457   H2''   DT   7          H2''       DT   7   9.462   9.998   1.068
  458    H1'   DT   7           H1'       DT   7   7.639  11.169   2.159
  459    H3    DT   7           H3        DT   7   9.823  14.926   3.325
  460    H71   DT   7           H71       DT   7  12.158  10.755   5.951
  461    H72   DT   7           H72       DT   7  13.153  12.121   5.380
  462    H73   DT   7           H73       DT   7  12.058  12.344   6.749
  463    H6    DT   7           H6        DT   7  10.396  10.288   4.484
  464    H5'   DA   8           H5'       DA   8   7.359  10.831  -1.424
  465   H5''   DA   8          H5''       DA   8   7.494   9.944  -2.946
  466    H4'   DA   8           H4'       DA   8   8.723  11.886  -3.288
  467    H3'   DA   8           H3'       DA   8  10.419   9.485  -2.952
  468    H2'   DA   8           H2'       DA   8  11.868  10.498  -1.560
  469   H2''   DA   8          H2''       DA   8  12.385  11.472  -2.961
  470    H1'   DA   8           H1'       DA   8  10.946  13.239  -2.468
  471    H8    DA   8           H8        DA   8  11.601  11.081   0.762
  472    H61   DA   8           H61       DA   8  13.357  16.701   2.997
  473    H62   DA   8           H62       DA   8  13.132  15.041   3.540
  474    H2    DA   8           H2        DA   8  12.124  17.238  -1.002
  475    H5'   DT   9           H5'       DT   9  10.841  12.904  -6.015
  476   H5''   DT   9          H5''       DT   9  11.500  12.261  -7.528
  477    H4'   DT   9           H4'       DT   9  11.982  14.606  -7.391
  478    H3'   DT   9           H3'       DT   9  14.016  12.677  -7.666
  479    H2'   DT   9           H2'       DT   9  15.060  13.003  -5.692
  480   H2''   DT   9          H2''       DT   9  15.801  14.411  -6.443
  481    H1'   DT   9           H1'       DT   9  14.257  15.927  -5.594
  482    H3    DT   9           H3        DT   9  15.268  16.556  -1.235
  483    H71   DT   9           H71       DT   9  14.646  11.194  -2.076
  484    H72   DT   9           H72       DT   9  15.971  11.782  -1.050
  485    H73   DT   9           H73       DT   9  14.310  11.881  -0.468
  486    H6    DT   9           H6        DT   9  14.150  12.640  -3.826
  487    H5'   DG  10           H5'       DG  10  14.770  17.229  -8.141
  488   H5''   DG  10          H5''       DG  10  15.583  17.498  -9.685
  489    H4'   DG  10           H4'       DG  10  16.223  19.261  -8.262
  490    H3'   DG  10           H3'       DG  10  18.166  17.602  -9.392
  491    H2'   DG  10           H2'       DG  10  18.660  16.452  -7.437
  492   H2''   DG  10          H2''       DG  10  19.823  17.769  -7.227
  493    H1'   DG  10           H1'       DG  10  18.361  19.032  -5.851
  494    H8    DG  10           H8        DG  10  17.728  15.258  -5.870
  495    H1    DG  10           H1        DG  10  19.004  17.769  -0.078
  496    H21   DG  10           H21       DG  10  19.349  20.674  -1.877
  497    H22   DG  10           H22       DG  10  19.517  19.855  -0.320
  498    H5'   DC  11           H5'       DC  11  19.498  21.551  -7.096
  499   H5''   DC  11          H5''       DC  11  20.564  22.410  -8.209
  500    H4'   DC  11           H4'       DC  11  21.147  23.036  -6.004
  501    H3'   DC  11           H3'       DC  11  23.055  21.985  -7.743
  502    H2'   DC  11           H2'       DC  11  23.329  19.929  -6.729
  503   H2''   DC  11          H2''       DC  11  24.449  20.791  -5.677
  504    H1'   DC  11           H1'       DC  11  22.900  21.137  -3.994
  505    H41   DC  11           H41       DC  11  20.995  14.815  -3.623
  506    H42   DC  11           H42       DC  11  21.349  15.420  -2.001
  507    H5    DC  11           H5        DC  11  21.293  16.211  -5.592
  508    H6    DC  11           H6        DC  11  21.829  18.522  -6.322
  509    H5'   DG  12           H5'       DG  12  25.065  23.315  -3.793
  510   H5''   DG  12          H5''       DG  12  26.659  24.038  -4.028
  511    H4'   DG  12           H4'       DG  12  26.836  22.389  -2.307
  512    H3'   DG  12           H3'       DG  12  28.066  21.516  -4.921
  513   HO3'   DG  12          H3T        DG  12  29.279  22.998  -3.630
  514    H2'   DG  12           H2'       DG  12  28.140  19.360  -4.306
  515   H2''   DG  12          H2''       DG  12  28.752  19.749  -2.681
  516    H1'   DG  12           H1'       DG  12  26.671  19.787  -1.736
  517    H8    DG  12           H8        DG  12  25.869  18.782  -5.355
  518    H1    DG  12           H1        DG  12  24.504  14.413  -0.810
  519    H21   DG  12           H21       DG  12  25.939  16.765   1.258
  520    H22   DG  12           H22       DG  12  25.308  15.128   1.113
  521    H5'   DC  13           H5'       DC  13  24.909   7.710   4.242
  522   H5''   DC  13          H5''       DC  13  24.314   7.833   5.894
  523    H4'   DC  13           H4'       DC  13  25.730   9.713   5.419
  524    H3'   DC  13           H3'       DC  13  23.123   9.960   6.365
  525    H2'   DC  13           H2'       DC  13  22.191  10.837   4.419
  526   H2''   DC  13          H2''       DC  13  22.758  12.377   5.102
  527    H1'   DC  13           H1'       DC  13  24.796  12.313   3.943
  528    H41   DC  13           H41       DC  13  21.927  11.820  -2.000
  529    H42   DC  13           H42       DC  13  23.155  13.090  -2.063
  530    H5    DC  13           H5        DC  13  21.459  10.567   0.060
  531    H6    DC  13           H6        DC  13  22.192  10.260   2.363
  532   HO5'   DC  13          H5T        DC  13  22.645   7.175   4.375
  533    H5'   DG  14           H5'       DG  14  25.847  14.136   6.526
  534   H5''   DG  14          H5''       DG  14  25.617  14.557   8.221
  535    H4'   DG  14           H4'       DG  14  25.924  16.593   7.159
  536    H3'   DG  14           H3'       DG  14  23.507  16.177   8.467
  537    H2'   DG  14           H2'       DG  14  22.199  15.832   6.563
  538   H2''   DG  14          H2''       DG  14  22.035  17.568   6.623
  539    H1'   DG  14           H1'       DG  14  23.677  17.962   5.032
  540    H8    DG  14           H8        DG  14  22.193  14.447   4.942
  541    H1    DG  14           H1        DG  14  22.256  17.541  -0.710
  542    H21   DG  14           H21       DG  14  23.796  20.007   1.118
  543    H22   DG  14           H22       DG  14  23.145  19.492  -0.442
  544    H5'   DC  15           H5'       DC  15  23.980  20.259   6.486
  545   H5''   DC  15          H5''       DC  15  23.308  21.654   7.329
  546    H4'   DC  15           H4'       DC  15  22.779  21.738   4.969
  547    H3'   DC  15           H3'       DC  15  20.503  21.381   6.868
  548    H2'   DC  15           H2'       DC  15  19.161  20.448   5.329
  549   H2''   DC  15          H2''       DC  15  19.460  21.764   4.171
  550    H1'   DC  15           H1'       DC  15  21.171  20.712   3.117
  551    H41   DC  15           H41       DC  15  18.462  14.702   2.822
  552    H42   DC  15           H42       DC  15  18.447  15.462   1.222
  553    H5    DC  15           H5        DC  15  19.188  15.971   4.811
  554    H6    DC  15           H6        DC  15  20.195  18.125   5.516
  555    H5'   DA  16           H5'       DA  16  20.488  23.904   3.237
  556   H5''   DA  16          H5''       DA  16  19.911  25.554   3.460
  557    H4'   DA  16           H4'       DA  16  19.289  24.888   1.295
  558    H3'   DA  16           H3'       DA  16  17.296  25.607   3.179
  559    H2'   DA  16           H2'       DA  16  16.451  23.462   3.370
  560   H2''   DA  16          H2''       DA  16  15.441  23.965   2.013
  561    H1'   DA  16           H1'       DA  16  16.940  23.043   0.384
  562    H8    DA  16           H8        DA  16  17.173  21.443   3.839
  563    H61   DA  16           H61       DA  16  15.609  16.171   0.832
  564    H62   DA  16           H62       DA  16  16.164  16.789   2.378
  565    H2    DA  16           H2        DA  16  15.273  19.437  -1.975
  566    H5'   DT  17           H5'       DT  17  15.750  25.014  -1.094
  567   H5''   DT  17          H5''       DT  17  14.663  26.304  -1.611
  568    H4'   DT  17           H4'       DT  17  13.809  24.232  -2.413
  569    H3'   DT  17           H3'       DT  17  12.238  25.825  -0.591
  570    H2'   DT  17           H2'       DT  17  12.012  24.148   0.955
  571   H2''   DT  17          H2''       DT  17  10.748  23.518  -0.117
  572    H1'   DT  17           H1'       DT  17  12.286  22.125  -1.316
  573    H3    DT  17           H3        DT  17  12.783  18.318   1.075
  574    H71   DT  17           H71       DT  17  14.541  20.978   4.677
  575    H72   DT  17           H72       DT  17  13.711  22.532   4.394
  576    H73   DT  17           H73       DT  17  12.811  21.130   5.012
  577    H6    DT  17           H6        DT  17  13.275  22.966   2.200
  578    H5'   DA  18           H5'       DA  18  10.295  22.520  -2.844
  579   H5''   DA  18          H5''       DA  18   8.939  23.095  -3.815
  580    H4'   DA  18           H4'       DA  18   8.281  20.985  -3.157
  581    H3'   DA  18           H3'       DA  18   6.840  23.120  -1.765
  582    H2'   DA  18           H2'       DA  18   7.329  22.309   0.291
  583   H2''   DA  18          H2''       DA  18   6.044  21.131  -0.057
  584    H1'   DA  18           H1'       DA  18   7.565  19.515  -0.833
  585    H8    DA  18           H8        DA  18   8.921  21.922   1.837
  586    H61   DA  18           H61       DA  18  10.873  16.512   4.455
  587    H62   DA  18           H62       DA  18  10.772  18.242   4.802
  588    H2    DA  18           H2        DA  18   9.374  15.643   0.566
  589    H5'   DT  19           H5'       DT  19   5.564  18.817  -2.306
  590   H5''   DT  19          H5''       DT  19   4.007  18.796  -3.141
  591    H4'   DT  19           H4'       DT  19   3.750  17.008  -1.649
  592    H3'   DT  19           H3'       DT  19   2.226  19.341  -0.941
  593    H2'   DT  19           H2'       DT  19   3.576  19.881   0.837
  594   H2''   DT  19          H2''       DT  19   2.429  18.796   1.687
  595    H1'   DT  19           H1'       DT  19   3.811  16.853   1.239
  596    H3    DT  19           H3        DT  19   6.868  16.416   4.479
  597    H71   DT  19           H71       DT  19   6.003  21.238   4.934
  598    H72   DT  19           H72       DT  19   7.657  21.147   4.338
  599    H73   DT  19           H73       DT  19   6.363  21.708   3.254
  600    H6    DT  19           H6        DT  19   5.288  20.153   1.896
  601    H5'   DA  20           H5'       DA  20  -1.503  15.527   0.101
  602   H5''   DA  20          H5''       DA  20  -0.155  16.269   0.940
  603    H4'   DA  20           H4'       DA  20  -0.061  13.352   0.112
  604    H3'   DA  20           H3'       DA  20  -1.978  14.407   1.812
  605    H2'   DA  20           H2'       DA  20  -0.523  15.440   3.275
  606   H2''   DA  20          H2''       DA  20  -0.607  13.885   4.112
  607    H1'   DA  20           H1'       DA  20   1.390  13.080   3.183
  608    H8    DA  20           H8        DA  20   1.576  16.875   2.418
  609    H61   DA  20           H61       DA  20   5.215  17.282   7.430
  610    H62   DA  20           H62       DA  20   4.430  18.203   6.151
  611    H2    DA  20           H2        DA  20   3.937  13.142   7.105
  612    H5'   DT  21           H5'       DT  21  -0.192  11.089   4.191
  613   H5''   DT  21          H5''       DT  21  -1.441   9.842   4.205
  614    H4'   DT  21           H4'       DT  21  -0.499   9.602   6.291
  615    H3'   DT  21           H3'       DT  21  -3.114  10.501   6.298
  616    H2'   DT  21           H2'       DT  21  -2.708  12.720   6.822
  617   H2''   DT  21          H2''       DT  21  -2.760  12.085   8.486
  618    H1'   DT  21           H1'       DT  21  -0.475  11.851   8.667
  619    H3    DT  21           H3        DT  21   2.007  15.613   9.019
  620    H71   DT  21           H71       DT  21  -1.307  17.732   6.262
  621    H72   DT  21           H72       DT  21  -0.177  17.221   5.006
  622    H73   DT  21           H73       DT  21  -1.767  16.428   5.150
  623    H6    DT  21           H6        DT  21  -1.588  14.312   6.050
  624    H5'   DG  22           H5'       DG  22  -1.004   9.557  10.327
  625   H5''   DG  22          H5''       DG  22  -2.096   8.711  11.451
  626    H4'   DG  22           H4'       DG  22  -0.778  10.217  12.731
  627    H3'   DG  22           H3'       DG  22  -3.625  10.527  12.675
  628    H2'   DG  22           H2'       DG  22  -3.513  12.603  11.630
  629   H2''   DG  22          H2''       DG  22  -3.332  13.176  13.308
  630    H1'   DG  22           H1'       DG  22  -0.926  13.052  13.175
  631    H8    DG  22           H8        DG  22  -2.747  13.885   9.898
  632    H1    DG  22           H1        DG  22   1.248  18.421  12.149
  633    H21   DG  22           H21       DG  22   1.673  16.145  14.702
  634    H22   DG  22           H22       DG  22   2.039  17.753  14.075
  635    H5'   DC  23           H5'       DC  23  -0.774  12.191  16.077
  636   H5''   DC  23          H5''       DC  23  -1.506  11.621  17.577
  637    H4'   DC  23           H4'       DC  23  -0.193  13.502  18.112
  638    H3'   DC  23           H3'       DC  23  -2.912  13.448  18.723
  639    H2'   DC  23           H2'       DC  23  -3.630  14.997  17.184
  640   H2''   DC  23          H2''       DC  23  -3.159  16.184  18.384
  641    H1'   DC  23           H1'       DC  23  -1.085  16.607  17.440
  642    H41   DC  23           H41       DC  23  -3.647  17.611  11.419
  643    H42   DC  23           H42       DC  23  -2.641  18.994  11.870
  644    H5    DC  23           H5        DC  23  -3.955  15.713  12.927
  645    H6    DC  23           H6        DC  23  -3.244  14.793  15.118
  646    H5'   DG  24           H5'       DG  24  -1.076  17.272  20.524
  647   H5''   DG  24          H5''       DG  24  -1.761  17.681  22.100
  648    H4'   DG  24           H4'       DG  24  -1.855  19.634  20.757
  649    H3'   DG  24           H3'       DG  24  -4.576  18.342  20.994
  650   HO3'   DG  24          H3T        DG  24  -3.798  19.490  22.852
  651    H2'   DG  24           H2'       DG  24  -5.421  19.597  19.345
  652   H2''   DG  24          H2''       DG  24  -4.620  21.081  19.919
  653    H1'   DG  24           H1'       DG  24  -2.782  20.787  18.606
  654    H8    DG  24           H8        DG  24  -4.949  17.809  17.514
  655    H1    DG  24           H1        DG  24  -3.974  22.442  13.117
  656    H21   DG  24           H21       DG  24  -2.179  23.868  15.702
  657    H22   DG  24           H22       DG  24  -2.795  24.055  14.059
  Start of MODEL    3
    1    H    ALA  79           H1       ALA  79  -1.842   6.487   9.035
    2    HA   ALA  79           HA       ALA  79   1.084   6.151   9.371
    3    HB1  ALA  79           HB1      ALA  79  -0.177   4.030   9.446
    4    HB2  ALA  79           HB2      ALA  79  -1.069   4.494   7.982
    5    HB3  ALA  79           HB3      ALA  79   0.685   4.161   7.898
    6    H    ARG  80           H        ARG  80   2.325   6.272   7.477
    7    HA   ARG  80           HA       ARG  80   1.716   8.419   5.679
    8    HB2  ARG  80           HB2      ARG  80   3.957   6.378   5.776
    9    HB3  ARG  80           HB3      ARG  80   3.908   7.682   4.588
   10    HG2  ARG  80           HG2      ARG  80   3.695   8.169   7.571
   11    HG3  ARG  80           HG3      ARG  80   5.230   8.204   6.695
   12    HD2  ARG  80           HD2      ARG  80   4.856  10.314   5.988
   13    HD3  ARG  80           HD3      ARG  80   3.291   9.861   5.322
   14    HE   ARG  80           HE       ARG  80   2.216  10.757   7.173
   15   HH11  ARG  80          HH11      ARG  80   5.649  10.483   8.033
   16   HH12  ARG  80          HH12      ARG  80   5.438  11.720   9.250
   17   HH21  ARG  80          HH21      ARG  80   2.163  12.205   8.999
   18   HH22  ARG  80          HH22      ARG  80   3.671  12.489   9.803
   19    H    LYS  81           H        LYS  81  -0.421   7.314   5.131
   20    HA   LYS  81           HA       LYS  81  -0.827   5.284   3.237
   21    HB2  LYS  81           HB2      LYS  81  -2.306   7.861   3.941
   22    HB3  LYS  81           HB3      LYS  81  -2.953   6.680   2.808
   23    HG2  LYS  81           HG2      LYS  81  -3.401   5.107   4.436
   24    HG3  LYS  81           HG3      LYS  81  -2.136   5.681   5.542
   25    HD2  LYS  81           HD2      LYS  81  -3.409   7.616   6.169
   26    HD3  LYS  81           HD3      LYS  81  -4.666   7.281   4.961
   27    HE2  LYS  81           HE2      LYS  81  -5.380   5.292   6.088
   28    HE3  LYS  81           HE3      LYS  81  -3.958   5.277   7.142
   29    HZ1  LYS  81           HZ1      LYS  81  -5.959   6.136   8.275
   30    HZ2  LYS  81           HZ2      LYS  81  -4.753   7.246   8.253
   31    HZ3  LYS  81           HZ3      LYS  81  -6.034   7.410   7.244
   32    H    VAL  82           H        VAL  82  -0.557   5.118   1.283
   33    HA   VAL  82           HA       VAL  82   0.691   7.080  -0.478
   34    HB   VAL  82           HB       VAL  82  -0.597   4.382  -1.048
   35   HG11  VAL  82          HG11      VAL  82   0.975   6.218  -2.897
   36   HG12  VAL  82          HG12      VAL  82   0.765   4.481  -3.191
   37   HG13  VAL  82          HG13      VAL  82  -0.654   5.522  -3.123
   38   HG21  VAL  82          HG21      VAL  82   1.391   4.299   0.423
   39   HG22  VAL  82          HG22      VAL  82   1.644   3.505  -1.140
   40   HG23  VAL  82          HG23      VAL  82   2.334   5.118  -0.859
   41    H    LYS  83           H        LYS  83  -0.230   8.495  -1.802
   42    HA   LYS  83           HA       LYS  83  -3.120   8.268  -2.473
   43    HB2  LYS  83           HB2      LYS  83  -1.357  10.670  -2.099
   44    HB3  LYS  83           HB3      LYS  83  -2.498  10.686  -3.459
   45    HG2  LYS  83           HG2      LYS  83  -4.387  10.276  -2.061
   46    HG3  LYS  83           HG3      LYS  83  -3.370  10.126  -0.614
   47    HD2  LYS  83           HD2      LYS  83  -2.674  12.435  -0.759
   48    HD3  LYS  83           HD3      LYS  83  -3.429  12.631  -2.357
   49    HE2  LYS  83           HE2      LYS  83  -5.554  12.741  -1.573
   50    HE3  LYS  83           HE3      LYS  83  -5.208  11.786  -0.109
   51    HZ1  LYS  83           HZ1      LYS  83  -4.107  13.649   0.866
   52    HZ2  LYS  83           HZ2      LYS  83  -4.281  14.591  -0.505
   53    HZ3  LYS  83           HZ3      LYS  83  -5.574  14.152   0.385
   54    H    GLN  84           H        GLN  84  -3.516   7.625  -4.477
   55    HA   GLN  84           HA       GLN  84  -1.317   7.546  -6.451
   56    HB2  GLN  84           HB2      GLN  84  -2.252   5.552  -6.913
   57    HB3  GLN  84           HB3      GLN  84  -3.770   5.920  -6.075
   58    HG2  GLN  84           HG2      GLN  84  -4.554   7.113  -8.039
   59    HG3  GLN  84           HG3      GLN  84  -3.002   6.831  -8.875
   60   HE21  GLN  84          HE22      GLN  84  -2.376   4.432  -9.202
   61   HE22  GLN  84          HE21      GLN  84  -3.703   3.319  -9.464
   62    H    TYR  85           H        TYR  85  -1.556   8.850  -8.205
   63    HA   TYR  85           HA       TYR  85  -3.833  10.798  -8.275
   64    HB2  TYR  85           HB2      TYR  85  -0.879  11.385  -8.780
   65    HB3  TYR  85           HB3      TYR  85  -2.200  12.525  -8.973
   66    HD1  TYR  85           HD2      TYR  85  -3.548  13.253  -7.013
   67    HD2  TYR  85           HD1      TYR  85   0.169  11.113  -6.613
   68    HE1  TYR  85           HE2      TYR  85  -3.262  14.179  -4.722
   69    HE2  TYR  85           HE1      TYR  85   0.471  12.063  -4.326
   70    HH   TYR  85           HH       TYR  85  -1.925  14.405  -2.972
   71    H    LYS  86           H        LYS  86  -4.674  11.075 -10.326
   72    HA   LYS  86           HA       LYS  86  -3.216   9.935 -12.679
   73    HB2  LYS  86           HB2      LYS  86  -4.854   8.284 -11.984
   74    HB3  LYS  86           HB3      LYS  86  -6.129   9.506 -11.874
   75    HG2  LYS  86           HG2      LYS  86  -6.183   9.826 -14.256
   76    HG3  LYS  86           HG3      LYS  86  -4.698   8.897 -14.496
   77    HD2  LYS  86           HD2      LYS  86  -5.875   6.855 -13.615
   78    HD3  LYS  86           HD3      LYS  86  -7.368   7.816 -13.492
   79    HE2  LYS  86           HE2      LYS  86  -7.220   8.290 -15.955
   80    HE3  LYS  86           HE3      LYS  86  -5.755   7.301 -16.045
   81    HZ1  LYS  86           HZ1      LYS  86  -8.450   6.289 -15.252
   82    HZ2  LYS  86           HZ2      LYS  86  -7.731   6.029 -16.694
   83    HZ3  LYS  86           HZ3      LYS  86  -7.096   5.373 -15.337
   84    H    ASN  87           H        ASN  87  -3.267  11.191 -14.454
   85    HA   ASN  87           HA       ASN  87  -4.512  13.878 -14.124
   86    HB2  ASN  87           HB2      ASN  87  -2.131  13.646 -14.326
   87    HB3  ASN  87           HB3      ASN  87  -2.278  12.906 -15.916
   88   HD21  ASN  87          HD22      ASN  87  -0.861  15.360 -15.158
   89   HD22  ASN  87          HD21      ASN  87  -1.675  16.666 -16.020
   90    HA   PRO  88           HA       PRO  88  -7.666  12.640 -17.201
   91    HB2  PRO  88           HB2      PRO  88  -8.216  15.594 -16.841
   92    HB3  PRO  88           HB3      PRO  88  -9.381  14.239 -16.966
   93    HG2  PRO  88           HG2      PRO  88  -8.772  15.302 -14.549
   94    HG3  PRO  88           HG3      PRO  88  -8.881  13.522 -14.734
   95    HD2  PRO  88           HD2      PRO  88  -6.409  15.258 -14.673
   96    HD3  PRO  88           HD3      PRO  88  -6.727  13.682 -13.880
   97    H    HIS  89           H        HIS  89  -5.313  15.282 -17.486
   98    HA   HIS  89           HA       HIS  89  -5.967  15.864 -20.294
   99    HB2  HIS  89           HB2      HIS  89  -3.770  16.987 -18.515
  100    HB3  HIS  89           HB3      HIS  89  -4.318  17.641 -20.051
  101    HD1  HIS  89           HD1      HIS  89  -6.917  18.665 -20.035
  102    HD2  HIS  89           HD2      HIS  89  -5.095  17.724 -16.340
  103    HE1  HIS  89           HE1      HIS  89  -8.309  19.844 -18.216
  104    HE2  HIS  89           HE2      HIS  89  -7.198  19.273 -15.972
  105    H    THR  90           H        THR  90  -3.692  13.787 -18.681
  106    HA   THR  90           HA       THR  90  -2.179  13.385 -21.249
  107    HB   THR  90           HB       THR  90  -0.190  12.993 -19.940
  108    HG1  THR  90           HG1      THR  90  -0.312  13.225 -17.663
  109   HG21  THR  90          HG21      THR  90  -0.759  15.426 -20.330
  110   HG22  THR  90          HG22      THR  90  -1.543  15.441 -18.731
  111   HG23  THR  90          HG23      THR  90   0.200  15.136 -18.869
  112    H    GLY  91           H        GLY  91  -3.882  11.762 -18.653
  113    HA2  GLY  91           HA2      GLY  91  -4.487   9.552 -18.421
  114    HA3  GLY  91           HA3      GLY  91  -3.631   9.135 -19.905
  115    H    GLU  92           H        GLU  92  -1.609  10.868 -17.648
  116    HA   GLU  92           HA       GLU  92  -0.082   8.479 -17.007
  117    HB2  GLU  92           HB2      GLU  92   0.304  11.438 -16.571
  118    HB3  GLU  92           HB3      GLU  92   1.269  10.266 -15.678
  119    HG2  GLU  92           HG2      GLU  92   1.088  10.074 -18.672
  120    HG3  GLU  92           HG3      GLU  92   2.209  11.208 -17.877
  121    H    VAL  93           H        VAL  93   0.380   7.930 -14.969
  122    HA   VAL  93           HA       VAL  93  -1.323   8.789 -12.697
  123    HB   VAL  93           HB       VAL  93  -0.548   5.965 -13.384
  124   HG11  VAL  93          HG11      VAL  93  -2.542   6.998 -11.285
  125   HG12  VAL  93          HG12      VAL  93  -2.331   5.299 -11.728
  126   HG13  VAL  93          HG13      VAL  93  -1.016   6.157 -10.946
  127   HG21  VAL  93          HG21      VAL  93  -3.194   7.391 -13.821
  128   HG22  VAL  93          HG22      VAL  93  -2.148   6.690 -15.062
  129   HG23  VAL  93          HG23      VAL  93  -2.997   5.620 -13.944
  130    H    ILE  94           H        ILE  94  -0.434   8.366 -10.687
  131    HA   ILE  94           HA       ILE  94   2.390   7.625 -10.308
  132    HB   ILE  94           HB       ILE  94   1.827   9.899  -8.613
  133   HG12  ILE  94          HG12      ILE  94   1.886  10.762 -11.531
  134   HG13  ILE  94          HG13      ILE  94   0.439  10.762 -10.517
  135   HG21  ILE  94          HG21      ILE  94   4.047   8.841  -9.151
  136   HG22  ILE  94          HG22      ILE  94   3.981   9.676 -10.733
  137   HG23  ILE  94          HG23      ILE  94   4.015  10.591  -9.199
  138   HD11  ILE  94          HD11      ILE  94   1.607  12.234  -8.877
  139   HD12  ILE  94          HD12      ILE  94   2.944  12.394 -10.031
  140   HD13  ILE  94          HD13      ILE  94   1.329  12.975 -10.476
  141    H    GLU  95           H        GLU  95   2.874   7.568  -7.990
  142    HA   GLU  95           HA       GLU  95   0.702   7.295  -6.021
  143    HB2  GLU  95           HB2      GLU  95   2.567   5.109  -6.948
  144    HB3  GLU  95           HB3      GLU  95   1.951   5.125  -5.268
  145    HG2  GLU  95           HG2      GLU  95  -0.322   5.010  -6.007
  146    HG3  GLU  95           HG3      GLU  95   0.149   5.142  -7.708
  147    H    THR  96           H        THR  96   1.383   8.491  -4.323
  148    HA   THR  96           HA       THR  96   4.186   8.286  -3.374
  149    HB   THR  96           HB       THR  96   4.913  10.318  -3.851
  150    HG1  THR  96           HG1      THR  96   3.782  12.188  -3.418
  151   HG21  THR  96          HG21      THR  96   3.955   9.951  -6.119
  152   HG22  THR  96          HG22      THR  96   2.425  10.696  -5.573
  153   HG23  THR  96          HG23      THR  96   3.922  11.654  -5.668
  154    H    LYS  97           H        LYS  97   4.455   8.920  -1.167
  155    HA   LYS  97           HA       LYS  97   1.929   8.921   0.435
  156    HB2  LYS  97           HB2      LYS  97   4.795   8.734   1.344
  157    HB3  LYS  97           HB3      LYS  97   3.372   8.370   2.308
  158    HG2  LYS  97           HG2      LYS  97   2.892   6.381   1.016
  159    HG3  LYS  97           HG3      LYS  97   4.128   6.774  -0.176
  160    HD2  LYS  97           HD2      LYS  97   5.843   6.640   1.743
  161    HD3  LYS  97           HD3      LYS  97   4.556   5.909   2.700
  162    HE2  LYS  97           HE2      LYS  97   5.884   4.146   1.791
  163    HE3  LYS  97           HE3      LYS  97   4.346   4.123   0.924
  164    HZ1  LYS  97           HZ1      LYS  97   6.845   5.424  -0.120
  165    HZ2  LYS  97           HZ2      LYS  97   6.344   3.921  -0.547
  166    HZ3  LYS  97           HZ3      LYS  97   5.460   5.238  -0.951
  167    H    GLY  98           H        GLY  98   3.505  11.256  -1.040
  168    HA2  GLY  98           HA2      GLY  98   2.841  13.585  -0.343
  169    HA3  GLY  98           HA3      GLY  98   3.688  13.240   1.173
  170    H    GLY  99           H        GLY  99   4.825  15.169   0.570
  171    HA2  GLY  99           HA2      GLY  99   6.834  16.107   0.241
  172    HA3  GLY  99           HA3      GLY  99   7.439  14.535  -0.253
  173    H    ASN 100           H        ASN 100   8.543  16.693  -1.185
  174    HA   ASN 100           HA       ASN 100   7.965  17.621  -3.799
  175    HB2  ASN 100           HB2      ASN 100   9.616  18.718  -2.491
  176    HB3  ASN 100           HB3      ASN 100  10.377  17.221  -2.037
  177   HD21  ASN 100          HD22      ASN 100  12.258  18.568  -2.473
  178   HD22  ASN 100          HD21      ASN 100  12.987  18.208  -4.022
  179    H    HIS 101           H        HIS 101   7.237  16.133  -5.241
  180    HA   HIS 101           HA       HIS 101   9.102  13.980  -6.127
  181    HB2  HIS 101           HB2      HIS 101   7.173  13.100  -4.742
  182    HB3  HIS 101           HB3      HIS 101   6.067  13.698  -5.964
  183    HD1  HIS 101           HD1      HIS 101   9.001  11.102  -5.629
  184    HD2  HIS 101           HD2      HIS 101   5.659  12.095  -8.048
  185    HE1  HIS 101           HE1      HIS 101   8.730   9.206  -7.313
  186    HE2  HIS 101           HE2      HIS 101   6.722   9.800  -8.800
  187    H    LYS 102           H        LYS 102   9.470  13.934  -8.304
  188    HA   LYS 102           HA       LYS 102   9.240  16.268  -9.756
  189    HB2  LYS 102           HB2      LYS 102  10.839  14.424 -10.071
  190    HB3  LYS 102           HB3      LYS 102   9.638  13.586 -11.069
  191    HG2  LYS 102           HG2      LYS 102   9.516  15.512 -12.595
  192    HG3  LYS 102           HG3      LYS 102  10.551  16.483 -11.540
  193    HD2  LYS 102           HD2      LYS 102  11.408  13.927 -12.910
  194    HD3  LYS 102           HD3      LYS 102  11.686  15.569 -13.538
  195    HE2  LYS 102           HE2      LYS 102  12.983  16.128 -11.473
  196    HE3  LYS 102           HE3      LYS 102  12.748  14.479 -10.885
  197    HZ1  LYS 102           HZ1      LYS 102  13.985  13.693 -12.860
  198    HZ2  LYS 102           HZ2      LYS 102  14.272  15.246 -13.320
  199    HZ3  LYS 102           HZ3      LYS 102  14.874  14.675 -11.897
  200    H    THR 103           H        THR 103   7.352  13.425 -10.967
  201    HA   THR 103           HA       THR 103   5.885  14.943 -12.830
  202    HB   THR 103           HB       THR 103   4.884  12.429 -11.455
  203    HG1  THR 103           HG1      THR 103   5.951  11.411 -13.213
  204   HG21  THR 103          HG21      THR 103   4.231  13.863 -14.051
  205   HG22  THR 103          HG22      THR 103   3.814  12.145 -13.795
  206   HG23  THR 103          HG23      THR 103   3.120  13.396 -12.755
  207    H    LEU 104           H        LEU 104   5.030  14.218  -9.471
  208    HA   LEU 104           HA       LEU 104   2.423  15.341  -9.436
  209    HB2  LEU 104           HB2      LEU 104   3.413  13.809  -7.736
  210    HB3  LEU 104           HB3      LEU 104   4.521  15.083  -7.227
  211    HG   LEU 104           HG       LEU 104   2.637  16.436  -6.408
  212   HD11  LEU 104          HD11      LEU 104   0.935  14.034  -7.250
  213   HD12  LEU 104          HD12      LEU 104   0.378  15.365  -6.232
  214   HD13  LEU 104          HD13      LEU 104   0.832  15.674  -7.918
  215   HD21  LEU 104          HD21      LEU 104   3.751  14.805  -4.910
  216   HD22  LEU 104          HD22      LEU 104   2.046  15.023  -4.503
  217   HD23  LEU 104          HD23      LEU 104   2.550  13.572  -5.378
  218    H    LYS 105           H        LYS 105   5.629  16.885  -9.009
  219    HA   LYS 105           HA       LYS 105   4.562  19.493  -8.353
  220    HB2  LYS 105           HB2      LYS 105   6.840  18.818  -7.691
  221    HB3  LYS 105           HB3      LYS 105   7.298  18.605  -9.369
  222    HG2  LYS 105           HG2      LYS 105   8.233  20.671  -8.556
  223    HG3  LYS 105           HG3      LYS 105   7.059  21.000  -9.815
  224    HD2  LYS 105           HD2      LYS 105   6.737  22.659  -8.167
  225    HD3  LYS 105           HD3      LYS 105   5.366  21.561  -7.976
  226    HE2  LYS 105           HE2      LYS 105   6.619  20.429  -6.074
  227    HE3  LYS 105           HE3      LYS 105   7.925  21.597  -6.307
  228    HZ1  LYS 105           HZ1      LYS 105   6.198  23.376  -5.839
  229    HZ2  LYS 105           HZ2      LYS 105   5.154  22.170  -5.371
  230    HZ3  LYS 105           HZ3      LYS 105   6.518  22.399  -4.558
  231    H    GLU 106           H        GLU 106   5.325  17.888 -11.458
  232    HA   GLU 106           HA       GLU 106   5.154  20.320 -12.987
  233    HB2  GLU 106           HB2      GLU 106   4.440  17.554 -13.994
  234    HB3  GLU 106           HB3      GLU 106   4.989  18.964 -14.936
  235    HG2  GLU 106           HG2      GLU 106   7.154  18.760 -13.522
  236    HG3  GLU 106           HG3      GLU 106   6.474  17.187 -13.047
  237    H    TRP 107           H        TRP 107   2.865  17.768 -12.151
  238    HA   TRP 107           HA       TRP 107   0.621  18.895 -13.517
  239    HB2  TRP 107           HB2      TRP 107   0.638  17.202 -11.000
  240    HB3  TRP 107           HB3      TRP 107  -0.777  17.545 -12.003
  241    HD1  TRP 107           HD1      TRP 107   1.993  16.805 -14.335
  242    HE1  TRP 107           HE1      TRP 107   1.925  14.370 -15.098
  243    HE3  TRP 107           HE3      TRP 107  -1.472  14.983 -11.019
  244    HZ2  TRP 107           HZ2      TRP 107   0.757  11.922 -14.250
  245    HZ3  TRP 107           HZ3      TRP 107  -2.124  12.595 -11.126
  246    HH2  TRP 107           HH2      TRP 107  -0.961  11.039 -12.689
  247    H    LYS 108           H        LYS 108   1.830  19.626 -10.240
  248    HA   LYS 108           HA       LYS 108  -0.289  21.477  -9.538
  249    HB2  LYS 108           HB2      LYS 108   2.624  21.293  -8.632
  250    HB3  LYS 108           HB3      LYS 108   1.458  22.460  -7.997
  251    HG2  LYS 108           HG2      LYS 108  -0.044  20.564  -7.358
  252    HG3  LYS 108           HG3      LYS 108   1.222  19.433  -7.836
  253    HD2  LYS 108           HD2      LYS 108   2.791  20.596  -6.232
  254    HD3  LYS 108           HD3      LYS 108   1.437  21.621  -5.712
  255    HE2  LYS 108           HE2      LYS 108   0.163  19.448  -5.176
  256    HE3  LYS 108           HE3      LYS 108   1.651  18.581  -5.530
  257    HZ1  LYS 108           HZ1      LYS 108   2.698  20.171  -3.811
  258    HZ2  LYS 108           HZ2      LYS 108   1.168  20.476  -3.310
  259    HZ3  LYS 108           HZ3      LYS 108   1.736  18.919  -3.270
  260    H    ALA 109           H        ALA 109   2.766  21.869 -11.400
  261    HA   ALA 109           HA       ALA 109   2.654  24.727 -11.563
  262    HB1  ALA 109           HB1      ALA 109   4.327  24.432 -13.314
  263    HB2  ALA 109           HB2      ALA 109   4.680  23.252 -12.012
  264    HB3  ALA 109           HB3      ALA 109   3.903  22.739 -13.529
  265    H    LYS 110           H        LYS 110   1.730  22.114 -13.776
  266    HA   LYS 110           HA       LYS 110   0.890  23.753 -15.799
  267    HB2  LYS 110           HB2      LYS 110   0.687  20.806 -15.234
  268    HB3  LYS 110           HB3      LYS 110  -0.012  21.479 -16.723
  269    HG2  LYS 110           HG2      LYS 110   2.193  22.409 -17.356
  270    HG3  LYS 110           HG3      LYS 110   2.895  21.791 -15.864
  271    HD2  LYS 110           HD2      LYS 110   3.534  20.220 -17.506
  272    HD3  LYS 110           HD3      LYS 110   2.219  19.457 -16.615
  273    HE2  LYS 110           HE2      LYS 110   1.702  18.992 -18.869
  274    HE3  LYS 110           HE3      LYS 110   0.640  20.343 -18.458
  275    HZ1  LYS 110           HZ1      LYS 110   2.228  21.846 -19.582
  276    HZ2  LYS 110           HZ2      LYS 110   3.219  20.592 -19.947
  277    HZ3  LYS 110           HZ3      LYS 110   1.732  20.688 -20.610
  278    H    TRP 111           H        TRP 111  -1.027  22.176 -13.291
  279    HA   TRP 111           HA       TRP 111  -3.511  23.522 -14.316
  280    HB2  TRP 111           HB2      TRP 111  -3.337  20.694 -13.241
  281    HB3  TRP 111           HB3      TRP 111  -4.799  21.534 -13.743
  282    HD1  TRP 111           HD1      TRP 111  -5.066  22.040 -16.409
  283    HE1  TRP 111           HE1      TRP 111  -4.140  20.849 -18.482
  284    HE3  TRP 111           HE3      TRP 111  -1.403  19.324 -14.172
  285    HZ2  TRP 111           HZ2      TRP 111  -2.012  18.977 -19.099
  286    HZ3  TRP 111           HZ3      TRP 111   0.169  17.923 -15.536
  287    HH2  TRP 111           HH2      TRP 111  -0.170  17.689 -17.973
  288    H    GLY 112           H        GLY 112  -2.133  21.969 -11.341
  289    HA2  GLY 112           HA2      GLY 112  -1.968  23.897  -9.614
  290    HA3  GLY 112           HA3      GLY 112  -3.719  23.930  -9.687
  291    HA   PRO 113           HA       PRO 113  -2.045  20.668  -6.574
  292    HB2  PRO 113           HB2      PRO 113  -2.326  22.054  -4.193
  293    HB3  PRO 113           HB3      PRO 113  -0.814  21.915  -5.132
  294    HG2  PRO 113           HG2      PRO 113  -2.817  24.173  -5.128
  295    HG3  PRO 113           HG3      PRO 113  -1.021  24.257  -5.086
  296    HD2  PRO 113           HD2      PRO 113  -2.432  24.645  -7.368
  297    HD3  PRO 113           HD3      PRO 113  -0.858  23.790  -7.387
  298    H    GLU 114           H        GLU 114  -4.769  22.973  -6.416
  299    HA   GLU 114           HA       GLU 114  -6.553  21.424  -4.816
  300    HB2  GLU 114           HB2      GLU 114  -7.344  23.171  -7.160
  301    HB3  GLU 114           HB3      GLU 114  -8.247  22.791  -5.668
  302    HG2  GLU 114           HG2      GLU 114  -6.437  24.063  -4.405
  303    HG3  GLU 114           HG3      GLU 114  -5.792  24.535  -5.988
  304    H    ALA 115           H        ALA 115  -6.070  21.664  -8.280
  305    HA   ALA 115           HA       ALA 115  -7.974  19.807  -9.228
  306    HB1  ALA 115           HB1      ALA 115  -5.240  20.298 -10.494
  307    HB2  ALA 115           HB2      ALA 115  -6.777  19.937 -11.296
  308    HB3  ALA 115           HB3      ALA 115  -6.554  21.528 -10.519
  309    H    VAL 116           H        VAL 116  -4.507  19.464  -8.678
  310    HA   VAL 116           HA       VAL 116  -4.153  16.833  -9.248
  311    HB   VAL 116           HB       VAL 116  -2.714  18.805  -7.488
  312   HG11  VAL 116          HG11      VAL 116  -1.625  16.040  -8.113
  313   HG12  VAL 116          HG12      VAL 116  -0.732  17.414  -7.395
  314   HG13  VAL 116          HG13      VAL 116  -2.049  16.661  -6.502
  315   HG21  VAL 116          HG21      VAL 116  -1.188  18.890  -9.365
  316   HG22  VAL 116          HG22      VAL 116  -1.969  17.477 -10.117
  317   HG23  VAL 116          HG23      VAL 116  -2.831  19.022 -10.024
  318    H    GLU 117           H        GLU 117  -4.841  18.207  -5.992
  319    HA   GLU 117           HA       GLU 117  -4.947  15.636  -4.642
  320    HB2  GLU 117           HB2      GLU 117  -5.967  18.424  -3.994
  321    HB3  GLU 117           HB3      GLU 117  -6.261  17.056  -2.928
  322    HG2  GLU 117           HG2      GLU 117  -3.449  17.801  -3.819
  323    HG3  GLU 117           HG3      GLU 117  -4.229  18.540  -2.428
  324    H    SER 118           H        SER 118  -7.360  17.567  -6.391
  325    HA   SER 118           HA       SER 118  -9.672  16.076  -5.453
  326    HB2  SER 118           HB2      SER 118  -9.359  17.736  -7.981
  327    HB3  SER 118           HB3      SER 118 -10.876  17.097  -7.337
  328    HG   SER 118           HG       SER 118  -9.135  19.011  -6.178
  329    H    TRP 119           H        TRP 119  -7.430  15.630  -8.160
  330    HA   TRP 119           HA       TRP 119  -8.879  13.428  -9.371
  331    HB2  TRP 119           HB2      TRP 119  -5.917  14.022  -9.557
  332    HB3  TRP 119           HB3      TRP 119  -6.904  13.081 -10.656
  333    HD1  TRP 119           HD1      TRP 119  -9.205  15.523 -10.822
  334    HE1  TRP 119           HE1      TRP 119  -8.685  17.491 -12.376
  335    HE3  TRP 119           HE3      TRP 119  -4.159  14.838 -11.320
  336    HZ2  TRP 119           HZ2      TRP 119  -6.361  18.650 -13.649
  337    HZ3  TRP 119           HZ3      TRP 119  -2.816  16.373 -12.752
  338    HH2  TRP 119           HH2      TRP 119  -3.903  18.284 -13.903
  339    H    ALA 120           H        ALA 120  -7.094  13.478  -6.387
  340    HA   ALA 120           HA       ALA 120  -5.640  11.097  -6.750
  341    HB1  ALA 120           HB1      ALA 120  -4.938  11.337  -4.518
  342    HB2  ALA 120           HB2      ALA 120  -5.182  12.998  -5.106
  343    HB3  ALA 120           HB3      ALA 120  -6.402  12.251  -4.060
  344    H    THR 121           H        THR 121  -5.651   9.459  -5.293
  345    HA   THR 121           HA       THR 121  -8.171   7.974  -4.516
  346    HB   THR 121           HB       THR 121  -5.802   6.963  -6.119
  347    HG1  THR 121           HG1      THR 121  -8.494   7.382  -6.980
  348   HG21  THR 121          HG21      THR 121  -7.409   4.965  -6.417
  349   HG22  THR 121          HG22      THR 121  -6.728   5.166  -4.797
  350   HG23  THR 121          HG23      THR 121  -8.391   5.719  -5.127
  351    H    LEU 122           H        LEU 122  -7.833   6.674  -2.722
  352    HA   LEU 122           HA       LEU 122  -5.232   7.087  -1.278
  353    HB2  LEU 122           HB2      LEU 122  -7.505   8.044  -0.476
  354    HB3  LEU 122           HB3      LEU 122  -7.875   6.390   0.008
  355    HG   LEU 122           HG       LEU 122  -5.452   8.032   0.906
  356   HD11  LEU 122          HD11      LEU 122  -7.998   7.289   2.411
  357   HD12  LEU 122          HD12      LEU 122  -6.625   8.219   3.057
  358   HD13  LEU 122          HD13      LEU 122  -7.615   8.898   1.759
  359   HD21  LEU 122          HD21      LEU 122  -4.780   5.791   1.160
  360   HD22  LEU 122          HD22      LEU 122  -5.349   6.254   2.753
  361   HD23  LEU 122          HD23      LEU 122  -6.395   5.267   1.717
  362    H    LEU 123           H        LEU 123  -3.979   5.443  -1.037
  363    HA   LEU 123           HA       LEU 123  -4.948   2.647  -1.438
  364    HB2  LEU 123           HB2      LEU 123  -2.334   3.991  -2.269
  365    HB3  LEU 123           HB3      LEU 123  -2.718   2.280  -2.473
  366    HG   LEU 123           HG       LEU 123  -4.106   4.654  -3.797
  367   HD11  LEU 123          HD11      LEU 123  -1.883   4.177  -4.661
  368   HD12  LEU 123          HD12      LEU 123  -2.255   2.451  -4.824
  369   HD13  LEU 123          HD13      LEU 123  -3.087   3.626  -5.853
  370   HD21  LEU 123          HD21      LEU 123  -5.765   2.853  -3.504
  371   HD22  LEU 123          HD22      LEU 123  -5.257   2.917  -5.187
  372   HD23  LEU 123          HD23      LEU 123  -4.609   1.653  -4.117
  373    H    GLY 124           H        GLY 124  -4.659   1.328   0.120
  374    HA2  GLY 124           HA2      GLY 124  -3.264   2.115   2.588
  375    HA3  GLY 124           HA3      GLY 124  -4.330   0.730   2.353
  376    H    HIS 125           H        HIS 125  -2.283   0.259  -0.099
  377    HA   HIS 125           HA       HIS 125   0.093  -0.745   1.274
  378    HB2  HIS 125           HB2      HIS 125  -0.237  -3.091   0.490
  379    HB3  HIS 125           HB3      HIS 125  -1.334  -2.592   1.766
  380    HD1  HIS 125           HD1      HIS 125  -1.986  -1.885  -1.961
  381    HD2  HIS 125           HD2      HIS 125  -3.299  -4.271   1.254
  382    HE1  HIS 125           HE1      HIS 125  -4.136  -3.114  -2.786
  383    HE2  HIS 125           HE2      HIS 125  -4.929  -4.546  -0.796
  384    H5'   DC   1           H5'       DC   1  -5.392  29.197   7.974
  385   H5''   DC   1          H5''       DC   1  -4.061  30.055   7.211
  386    H4'   DC   1           H4'       DC   1  -3.657  29.946   9.565
  387    H3'   DC   1           H3'       DC   1  -1.852  28.929   7.687
  388    H2'   DC   1           H2'       DC   1  -1.897  26.745   8.207
  389   H2''   DC   1          H2''       DC   1  -0.867  27.151   9.567
  390    H1'   DC   1           H1'       DC   1  -2.566  27.254  11.108
  391    H41   DC   1           H41       DC   1  -5.360  21.573   9.153
  392    H42   DC   1           H42       DC   1  -5.174  21.542  10.911
  393    H5    DC   1           H5        DC   1  -4.636  23.523   7.807
  394    H6    DC   1           H6        DC   1  -3.710  25.754   7.977
  395   HO5'   DC   1          H5T        DC   1  -4.709  28.152   6.006
  396    H5'   DG   2           H5'       DG   2  -0.346  29.176  12.207
  397   H5''   DG   2          H5''       DG   2   1.211  30.003  12.202
  398    H4'   DG   2           H4'       DG   2   1.354  28.430  13.919
  399    H3'   DG   2           H3'       DG   2   3.137  28.192  11.752
  400    H2'   DG   2           H2'       DG   2   2.159  26.272  10.886
  401   H2''   DG   2          H2''       DG   2   3.277  25.479  12.007
  402    H1'   DG   2           H1'       DG   2   1.635  25.299  13.726
  403    H8    DG   2           H8        DG   2   0.275  25.418  10.150
  404    H1    DG   2           H1        DG   2  -1.509  20.251  13.568
  405    H21   DG   2           H21       DG   2   0.386  21.737  16.022
  406    H22   DG   2           H22       DG   2  -0.613  20.361  15.549
  407    H5'   DC   3           H5'       DC   3   3.873  25.674  15.686
  408   H5''   DC   3          H5''       DC   3   5.589  25.683  16.097
  409    H4'   DC   3           H4'       DC   3   4.616  23.596  16.778
  410    H3'   DC   3           H3'       DC   3   6.744  23.642  14.779
  411    H2'   DC   3           H2'       DC   3   5.904  22.091  13.372
  412   H2''   DC   3          H2''       DC   3   5.943  20.894  14.672
  413    H1'   DC   3           H1'       DC   3   3.766  21.129  15.233
  414    H41   DC   3           H41       DC   3   1.340  21.678   9.096
  415    H42   DC   3           H42       DC   3   0.765  20.177   9.839
  416    H5    DC   3           H5        DC   3   2.970  23.115  10.232
  417    H6    DC   3           H6        DC   3   4.158  23.437  12.388
  418    H5'   DA   4           H5'       DA   4   6.186  19.874  17.185
  419   H5''   DA   4          H5''       DA   4   7.675  19.213  17.857
  420    H4'   DA   4           H4'       DA   4   6.354  17.405  17.124
  421    H3'   DA   4           H3'       DA   4   8.914  17.849  15.885
  422    H2'   DA   4           H2'       DA   4   8.060  18.109  13.777
  423   H2''   DA   4          H2''       DA   4   8.042  16.351  13.733
  424    H1'   DA   4           H1'       DA   4   5.762  16.216  14.467
  425    H8    DA   4           H8        DA   4   6.702  19.512  12.779
  426    H61   DA   4           H61       DA   4   2.255  17.971   8.646
  427    H62   DA   4           H62       DA   4   3.347  19.259   9.127
  428    H2    DA   4           H2        DA   4   2.640  14.700  11.476
  429    H5'   DT   5           H5'       DT   5   7.072  13.614  15.408
  430   H5''   DT   5          H5''       DT   5   8.280  12.371  15.742
  431    H4'   DT   5           H4'       DT   5   6.949  11.617  13.916
  432    H3'   DT   5           H3'       DT   5   9.755  11.942  13.616
  433    H2'   DT   5           H2'       DT   5   9.615  13.675  12.096
  434   H2''   DT   5          H2''       DT   5   9.446  12.344  10.923
  435    H1'   DT   5           H1'       DT   5   7.071  12.373  11.034
  436    H3    DT   5           H3        DT   5   5.187  15.588   8.506
  437    H71   DT   5           H71       DT   5   8.184  18.778  10.567
  438    H72   DT   5           H72       DT   5   9.553  17.734  11.007
  439    H73   DT   5           H73       DT   5   9.223  18.123   9.303
  440    H6    DT   5           H6        DT   5   8.969  15.561  11.519
  441    H5'   DA   6           H5'       DA   6   7.317   8.922  10.703
  442   H5''   DA   6          H5''       DA   6   8.379   7.517  10.600
  443    H4'   DA   6           H4'       DA   6   7.072   7.583   8.636
  444    H3'   DA   6           H3'       DA   6   9.845   7.488   8.449
  445    H2'   DA   6           H2'       DA   6  10.224   9.669   7.878
  446   H2''   DA   6          H2''       DA   6   9.927   9.118   6.248
  447    H1'   DA   6           H1'       DA   6   7.738   9.897   6.182
  448    H8    DA   6           H8        DA   6   9.975  11.531   8.850
  449    H61   DA   6           H61       DA   6   8.046  16.856   6.205
  450    H62   DA   6           H62       DA   6   9.226  16.178   7.325
  451    H2    DA   6           H2        DA   6   5.721  13.611   4.491
  452    H5'   DT   7           H5'       DT   7   7.020   7.702   5.069
  453   H5''   DT   7          H5''       DT   7   7.249   6.571   3.738
  454    H4'   DT   7           H4'       DT   7   6.253   8.647   2.969
  455    H3'   DT   7           H3'       DT   7   8.579   7.534   1.793
  456    H2'   DT   7           H2'       DT   7   9.968   9.271   2.488
  457   H2''   DT   7          H2''       DT   7   9.384  10.039   0.989
  458    H1'   DT   7           H1'       DT   7   7.553  11.114   2.109
  459    H3    DT   7           H3        DT   7   9.626  14.914   3.406
  460    H71   DT   7           H71       DT   7  12.077  10.737   5.906
  461    H72   DT   7           H72       DT   7  13.017  12.159   5.400
  462    H73   DT   7           H73       DT   7  11.905  12.285   6.768
  463    H6    DT   7           H6        DT   7  10.329  10.264   4.414
  464    H5'   DA   8           H5'       DA   8   7.335  10.772  -1.403
  465   H5''   DA   8          H5''       DA   8   7.436   9.921  -2.944
  466    H4'   DA   8           H4'       DA   8   8.700  11.834  -3.288
  467    H3'   DA   8           H3'       DA   8  10.372   9.432  -2.952
  468    H2'   DA   8           H2'       DA   8  11.778  10.415  -1.481
  469   H2''   DA   8          H2''       DA   8  12.369  11.378  -2.865
  470    H1'   DA   8           H1'       DA   8  10.932  13.168  -2.428
  471    H8    DA   8           H8        DA   8  11.478  11.014   0.825
  472    H61   DA   8           H61       DA   8  13.282  16.597   3.105
  473    H62   DA   8           H62       DA   8  13.019  14.933   3.631
  474    H2    DA   8           H2        DA   8  12.195  17.152  -0.940
  475    H5'   DT   9           H5'       DT   9  11.008  12.898  -6.015
  476   H5''   DT   9          H5''       DT   9  11.715  12.217  -7.489
  477    H4'   DT   9           H4'       DT   9  12.341  14.518  -7.352
  478    H3'   DT   9           H3'       DT   9  14.283  12.455  -7.422
  479    H2'   DT   9           H2'       DT   9  15.237  12.805  -5.426
  480   H2''   DT   9          H2''       DT   9  16.063  14.171  -6.160
  481    H1'   DT   9           H1'       DT   9  14.545  15.757  -5.425
  482    H3    DT   9           H3        DT   9  15.344  16.425  -1.032
  483    H71   DT   9           H71       DT   9  14.575  11.072  -1.825
  484    H72   DT   9           H72       DT   9  15.904  11.628  -0.781
  485    H73   DT   9           H73       DT   9  14.242  11.803  -0.232
  486    H6    DT   9           H6        DT   9  14.215  12.504  -3.618
  487    H5'   DG  10           H5'       DG  10  15.152  16.929  -7.949
  488   H5''   DG  10          H5''       DG  10  16.056  17.158  -9.446
  489    H4'   DG  10           H4'       DG  10  16.566  18.983  -8.042
  490    H3'   DG  10           H3'       DG  10  18.598  17.351  -9.040
  491    H2'   DG  10           H2'       DG  10  19.001  16.231  -7.039
  492   H2''   DG  10          H2''       DG  10  20.142  17.551  -6.791
  493    H1'   DG  10           H1'       DG  10  18.606  18.827  -5.503
  494    H8    DG  10           H8        DG  10  17.953  15.059  -5.535
  495    H1    DG  10           H1        DG  10  19.046  17.563   0.294
  496    H21   DG  10           H21       DG  10  19.480  20.465  -1.484
  497    H22   DG  10           H22       DG  10  19.569  19.637   0.074
  498    H5'   DC  11           H5'       DC  11  19.765  21.340  -6.729
  499   H5''   DC  11          H5''       DC  11  20.857  22.210  -7.807
  500    H4'   DC  11           H4'       DC  11  21.331  22.873  -5.579
  501    H3'   DC  11           H3'       DC  11  23.329  21.845  -7.233
  502    H2'   DC  11           H2'       DC  11  23.609  19.806  -6.204
  503   H2''   DC  11          H2''       DC  11  24.665  20.696  -5.110
  504    H1'   DC  11           H1'       DC  11  23.047  21.005  -3.485
  505    H41   DC  11           H41       DC  11  21.203  14.658  -3.202
  506    H42   DC  11           H42       DC  11  21.475  15.261  -1.561
  507    H5    DC  11           H5        DC  11  21.570  16.058  -5.150
  508    H6    DC  11           H6        DC  11  22.115  18.373  -5.852
  509    H5'   DG  12           H5'       DG  12  25.161  23.236  -3.224
  510   H5''   DG  12          H5''       DG  12  26.744  23.996  -3.398
  511    H4'   DG  12           H4'       DG  12  26.894  22.353  -1.667
  512    H3'   DG  12           H3'       DG  12  28.248  21.504  -4.226
  513   HO3'   DG  12          H3T        DG  12  29.369  23.008  -2.864
  514    H2'   DG  12           H2'       DG  12  28.325  19.353  -3.624
  515   H2''   DG  12          H2''       DG  12  28.882  19.738  -1.976
  516    H1'   DG  12           H1'       DG  12  26.769  19.749  -1.096
  517    H8    DG  12           H8        DG  12  26.109  18.737  -4.741
  518    H1    DG  12           H1        DG  12  24.652  14.329  -0.259
  519    H21   DG  12           H21       DG  12  25.951  16.711   1.866
  520    H22   DG  12           H22       DG  12  25.353  15.059   1.698
  521    H5'   DC  13           H5'       DC  13  25.035   7.590   4.679
  522   H5''   DC  13          H5''       DC  13  24.342   7.644   6.296
  523    H4'   DC  13           H4'       DC  13  25.757   9.555   5.957
  524    H3'   DC  13           H3'       DC  13  23.114   9.732   6.797
  525    H2'   DC  13           H2'       DC  13  22.234  10.625   4.839
  526   H2''   DC  13          H2''       DC  13  22.728  12.163   5.574
  527    H1'   DC  13           H1'       DC  13  24.795  12.203   4.489
  528    H41   DC  13           H41       DC  13  22.178  11.664  -1.563
  529    H42   DC  13           H42       DC  13  23.360  12.974  -1.574
  530    H5    DC  13           H5        DC  13  21.684  10.374   0.460
  531    H6    DC  13           H6        DC  13  22.346  10.064   2.785
  532   HO5'   DC  13          H5T        DC  13  22.775   7.019   4.662
  533    H5'   DG  14           H5'       DG  14  25.711  13.954   7.128
  534   H5''   DG  14          H5''       DG  14  25.403  14.368   8.809
  535    H4'   DG  14           H4'       DG  14  25.712  16.406   7.749
  536    H3'   DG  14           H3'       DG  14  23.266  15.936   8.983
  537    H2'   DG  14           H2'       DG  14  22.027  15.584   7.033
  538   H2''   DG  14          H2''       DG  14  21.833  17.323   7.093
  539    H1'   DG  14           H1'       DG  14  23.533  17.735   5.559
  540    H8    DG  14           H8        DG  14  22.063  14.218   5.393
  541    H1    DG  14           H1        DG  14  22.298  17.354  -0.228
  542    H21   DG  14           H21       DG  14  23.771  19.807   1.670
  543    H22   DG  14           H22       DG  14  23.164  19.308   0.085
  544    H5'   DC  15           H5'       DC  15  23.785  20.048   7.052
  545   H5''   DC  15          H5''       DC  15  23.058  21.429   7.875
  546    H4'   DC  15           H4'       DC  15  22.645  21.512   5.486
  547    H3'   DC  15           H3'       DC  15  20.287  21.160   7.284
  548    H2'   DC  15           H2'       DC  15  19.006  20.251   5.686
  549   H2''   DC  15          H2''       DC  15  19.380  21.557   4.537
  550    H1'   DC  15           H1'       DC  15  21.120  20.477   3.563
  551    H41   DC  15           H41       DC  15  18.375  14.496   3.168
  552    H42   DC  15           H42       DC  15  18.407  15.264   1.569
  553    H5    DC  15           H5        DC  15  19.047  15.752   5.184
  554    H6    DC  15           H6        DC  15  20.040  17.897   5.928
  555    H5'   DA  16           H5'       DA  16  20.480  23.674   3.668
  556   H5''   DA  16          H5''       DA  16  19.931  25.335   3.869
  557    H4'   DA  16           H4'       DA  16  19.418  24.695   1.667
  558    H3'   DA  16           H3'       DA  16  17.345  25.473   3.427
  559    H2'   DA  16           H2'       DA  16  16.458  23.345   3.592
  560   H2''   DA  16          H2''       DA  16  15.511  23.865   2.194
  561    H1'   DA  16           H1'       DA  16  17.059  22.898   0.632
  562    H8    DA  16           H8        DA  16  17.100  21.317   4.103
  563    H61   DA  16           H61       DA  16  15.604  16.049   1.057
  564    H62   DA  16           H62       DA  16  16.104  16.670   2.623
  565    H2    DA  16           H2        DA  16  15.434  19.306  -1.781
  566    H5'   DT  17           H5'       DT  17  15.947  24.856  -0.885
  567   H5''   DT  17          H5''       DT  17  14.912  26.163  -1.465
  568    H4'   DT  17           H4'       DT  17  14.011  24.116  -2.241
  569    H3'   DT  17           H3'       DT  17  12.444  25.740  -0.436
  570    H2'   DT  17           H2'       DT  17  12.133  24.057   1.081
  571   H2''   DT  17          H2''       DT  17  10.896  23.451  -0.037
  572    H1'   DT  17           H1'       DT  17  12.451  22.049  -1.187
  573    H3    DT  17           H3        DT  17  12.810  18.219   1.188
  574    H71   DT  17           H71       DT  17  12.717  20.998   5.142
  575    H72   DT  17           H72       DT  17  14.455  20.828   4.883
  576    H73   DT  17           H73       DT  17  13.659  22.394   4.575
  577    H6    DT  17           H6        DT  17  13.328  22.854   2.366
  578    H5'   DA  18           H5'       DA  18  10.483  22.524  -2.775
  579   H5''   DA  18          H5''       DA  18   9.148  23.130  -3.758
  580    H4'   DA  18           H4'       DA  18   8.448  21.025  -3.135
  581    H3'   DA  18           H3'       DA  18   7.023  23.163  -1.730
  582    H2'   DA  18           H2'       DA  18   7.462  22.319   0.317
  583   H2''   DA  18          H2''       DA  18   6.172  21.154  -0.062
  584    H1'   DA  18           H1'       DA  18   7.693  19.534  -0.828
  585    H8    DA  18           H8        DA  18   9.023  21.917   1.879
  586    H61   DA  18           H61       DA  18  10.740  16.456   4.547
  587    H62   DA  18           H62       DA  18  10.662  18.186   4.903
  588    H2    DA  18           H2        DA  18   9.389  15.632   0.602
  589    H5'   DT  19           H5'       DT  19   5.728  18.899  -2.289
  590   H5''   DT  19          H5''       DT  19   4.197  18.878  -3.169
  591    H4'   DT  19           H4'       DT  19   3.886  17.100  -1.692
  592    H3'   DT  19           H3'       DT  19   2.355  19.438  -1.009
  593    H2'   DT  19           H2'       DT  19   3.692  19.955   0.800
  594   H2''   DT  19          H2''       DT  19   2.501  18.909   1.619
  595    H1'   DT  19           H1'       DT  19   3.849  16.915   1.177
  596    H3    DT  19           H3        DT  19   6.726  16.400   4.566
  597    H71   DT  19           H71       DT  19   7.703  21.101   4.412
  598    H72   DT  19           H72       DT  19   6.480  21.697   3.269
  599    H73   DT  19           H73       DT  19   6.030  21.254   4.937
  600    H6    DT  19           H6        DT  19   5.396  20.169   1.885
  601    H5'   DA  20           H5'       DA  20  -1.397  15.566  -0.189
  602   H5''   DA  20          H5''       DA  20  -0.139  16.353   0.755
  603    H4'   DA  20           H4'       DA  20   0.024  13.414  -0.016
  604    H3'   DA  20           H3'       DA  20  -1.934  14.571   1.579
  605    H2'   DA  20           H2'       DA  20  -0.544  15.576   3.089
  606   H2''   DA  20          H2''       DA  20  -0.654  14.029   3.938
  607    H1'   DA  20           H1'       DA  20   1.390  13.234   3.119
  608    H8    DA  20           H8        DA  20   1.560  16.997   2.235
  609    H61   DA  20           H61       DA  20   4.949  17.641   7.389
  610    H62   DA  20           H62       DA  20   4.187  18.515   6.062
  611    H2    DA  20           H2        DA  20   3.769  13.475   7.143
  612    H5'   DT  21           H5'       DT  21  -0.318  11.227   4.001
  613   H5''   DT  21          H5''       DT  21  -1.610  10.031   4.098
  614    H4'   DT  21           H4'       DT  21  -0.548   9.865   6.163
  615    H3'   DT  21           H3'       DT  21  -3.188  10.717   6.155
  616    H2'   DT  21           H2'       DT  21  -2.825  12.939   6.646
  617   H2''   DT  21          H2''       DT  21  -2.840  12.336   8.323
  618    H1'   DT  21           H1'       DT  21  -0.547  12.147   8.464
  619    H3    DT  21           H3        DT  21   1.671  16.031   8.877
  620    H71   DT  21           H71       DT  21  -1.588  17.963   5.917
  621    H72   DT  21           H72       DT  21  -0.377  17.477   4.726
  622    H73   DT  21           H73       DT  21  -1.934  16.614   4.817
  623    H6    DT  21           H6        DT  21  -1.728  14.527   5.792
  624    H5'   DG  22           H5'       DG  22  -1.239   9.900  10.310
  625   H5''   DG  22          H5''       DG  22  -2.367   9.029  11.370
  626    H4'   DG  22           H4'       DG  22  -1.191  10.582  12.711
  627    H3'   DG  22           H3'       DG  22  -4.035  10.856  12.460
  628    H2'   DG  22           H2'       DG  22  -3.882  12.925  11.410
  629   H2''   DG  22          H2''       DG  22  -3.802  13.518  13.085
  630    H1'   DG  22           H1'       DG  22  -1.394  13.434  13.091
  631    H8    DG  22           H8        DG  22  -3.038  14.162   9.700
  632    H1    DG  22           H1        DG  22   0.877  18.748  12.003
  633    H21   DG  22           H21       DG  22   1.212  16.522  14.610
  634    H22   DG  22           H22       DG  22   1.624  18.108  13.950
  635    H5'   DC  23           H5'       DC  23  -1.397  12.548  16.015
  636   H5''   DC  23          H5''       DC  23  -2.216  11.997  17.476
  637    H4'   DC  23           H4'       DC  23  -0.915  13.876  18.063
  638    H3'   DC  23           H3'       DC  23  -3.669  13.844  18.511
  639    H2'   DC  23           H2'       DC  23  -4.288  15.392  16.934
  640   H2''   DC  23          H2''       DC  23  -3.861  16.584  18.143
  641    H1'   DC  23           H1'       DC  23  -1.738  16.974  17.294
  642    H41   DC  23           H41       DC  23  -4.019  17.929  11.152
  643    H42   DC  23           H42       DC  23  -3.001  19.297  11.617
  644    H5    DC  23           H5        DC  23  -4.402  16.053  12.658
  645    H6    DC  23           H6        DC  23  -3.798  15.147  14.893
  646    H5'   DG  24           H5'       DG  24  -1.875  17.632  20.485
  647   H5''   DG  24          H5''       DG  24  -2.686  18.065  21.993
  648    H4'   DG  24           H4'       DG  24  -2.587  20.003  20.619
  649    H3'   DG  24           H3'       DG  24  -5.352  18.816  20.746
  650   HO3'   DG  24          H3T        DG  24  -5.661  20.699  22.064
  651    H2'   DG  24           H2'       DG  24  -6.077  20.064  19.021
  652   H2''   DG  24          H2''       DG  24  -5.259  21.537  19.616
  653    H1'   DG  24           H1'       DG  24  -3.362  21.163  18.404
  654    H8    DG  24           H8        DG  24  -5.576  18.241  17.255
  655    H1    DG  24           H1        DG  24  -4.260  22.772  12.844
  656    H21   DG  24           H21       DG  24  -2.538  24.185  15.479
  657    H22   DG  24           H22       DG  24  -3.090  24.366  13.816
  Start of MODEL    4
    1    H    ALA  79           H1       ALA  79  -1.799   6.330   9.030
    2    HA   ALA  79           HA       ALA  79   1.097   5.790   9.401
    3    HB1  ALA  79           HB1      ALA  79  -1.129   4.351   7.886
    4    HB2  ALA  79           HB2      ALA  79   0.613   3.923   7.797
    5    HB3  ALA  79           HB3      ALA  79  -0.281   3.745   9.322
    6    H    ARG  80           H        ARG  80   2.387   5.951   7.541
    7    HA   ARG  80           HA       ARG  80   1.935   8.218   5.818
    8    HB2  ARG  80           HB2      ARG  80   4.072   6.068   5.863
    9    HB3  ARG  80           HB3      ARG  80   4.123   7.462   4.778
   10    HG2  ARG  80           HG2      ARG  80   3.797   7.835   7.762
   11    HG3  ARG  80           HG3      ARG  80   5.397   7.624   7.048
   12    HD2  ARG  80           HD2      ARG  80   5.285   9.658   5.883
   13    HD3  ARG  80           HD3      ARG  80   3.532   9.718   5.945
   14    HE   ARG  80           HE       ARG  80   5.432  10.412   8.138
   15   HH11  ARG  80          HH11      ARG  80   2.060  10.427   7.049
   16   HH12  ARG  80          HH12      ARG  80   1.618  11.502   8.336
   17   HH21  ARG  80          HH22      ARG  80   4.643  11.961   9.592
   18   HH22  ARG  80          HH21      ARG  80   2.915  12.209   9.715
   19    H    LYS  81           H        LYS  81  -0.251   7.155   5.219
   20    HA   LYS  81           HA       LYS  81  -0.664   5.202   3.263
   21    HB2  LYS  81           HB2      LYS  81  -2.123   7.770   4.033
   22    HB3  LYS  81           HB3      LYS  81  -2.761   6.651   2.838
   23    HG2  LYS  81           HG2      LYS  81  -3.275   5.017   4.368
   24    HG3  LYS  81           HG3      LYS  81  -2.022   5.513   5.538
   25    HD2  LYS  81           HD2      LYS  81  -3.282   7.444   6.216
   26    HD3  LYS  81           HD3      LYS  81  -4.515   7.167   4.966
   27    HE2  LYS  81           HE2      LYS  81  -5.276   5.138   6.005
   28    HE3  LYS  81           HE3      LYS  81  -3.886   5.078   7.092
   29    HZ1  LYS  81           HZ1      LYS  81  -5.926   5.918   8.194
   30    HZ2  LYS  81           HZ2      LYS  81  -4.705   7.012   8.254
   31    HZ3  LYS  81           HZ3      LYS  81  -5.945   7.223   7.202
   32    H    VAL  82           H        VAL  82  -0.443   5.095   1.296
   33    HA   VAL  82           HA       VAL  82   0.778   7.098  -0.444
   34    HB   VAL  82           HB       VAL  82  -0.502   4.406  -1.053
   35   HG11  VAL  82          HG11      VAL  82   0.854   4.552  -3.200
   36   HG12  VAL  82          HG12      VAL  82  -0.573   5.575  -3.106
   37   HG13  VAL  82          HG13      VAL  82   1.044   6.289  -2.874
   38   HG21  VAL  82          HG21      VAL  82   1.504   4.295   0.395
   39   HG22  VAL  82          HG22      VAL  82   1.743   3.541  -1.187
   40   HG23  VAL  82          HG23      VAL  82   2.428   5.150  -0.880
   41    H    LYS  83           H        LYS  83  -0.194   8.542  -1.747
   42    HA   LYS  83           HA       LYS  83  -3.059   8.202  -2.448
   43    HB2  LYS  83           HB2      LYS  83  -1.377  10.638  -1.966
   44    HB3  LYS  83           HB3      LYS  83  -2.524  10.681  -3.329
   45    HG2  LYS  83           HG2      LYS  83  -4.381  10.085  -1.921
   46    HG3  LYS  83           HG3      LYS  83  -3.337   9.977  -0.488
   47    HD2  LYS  83           HD2      LYS  83  -2.850  12.336  -0.563
   48    HD3  LYS  83           HD3      LYS  83  -3.497  12.482  -2.203
   49    HE2  LYS  83           HE2      LYS  83  -5.193  13.422  -0.881
   50    HE3  LYS  83           HE3      LYS  83  -5.774  11.812  -1.322
   51    HZ1  LYS  83           HZ1      LYS  83  -4.783  11.132   0.971
   52    HZ2  LYS  83           HZ2      LYS  83  -4.708  12.696   1.318
   53    HZ3  LYS  83           HZ3      LYS  83  -6.177  12.034   1.005
   54    H    GLN  84           H        GLN  84  -3.451   7.656  -4.473
   55    HA   GLN  84           HA       GLN  84  -1.268   7.670  -6.456
   56    HB2  GLN  84           HB2      GLN  84  -2.229   5.680  -6.945
   57    HB3  GLN  84           HB3      GLN  84  -3.731   6.047  -6.095
   58    HG2  GLN  84           HG2      GLN  84  -4.560   7.257  -8.017
   59    HG3  GLN  84           HG3      GLN  84  -3.040   6.998  -8.905
   60   HE21  GLN  84          HE21      GLN  84  -2.397   4.560  -9.189
   61   HE22  GLN  84          HE22      GLN  84  -3.742   3.472  -9.467
   62    H    TYR  85           H        TYR  85  -1.507   9.044  -8.171
   63    HA   TYR  85           HA       TYR  85  -3.834  10.943  -8.185
   64    HB2  TYR  85           HB2      TYR  85  -0.934  11.644  -8.802
   65    HB3  TYR  85           HB3      TYR  85  -2.311  12.733  -8.893
   66    HD1  TYR  85           HD2      TYR  85  -3.511  13.452  -6.864
   67    HD2  TYR  85           HD1      TYR  85   0.173  11.230  -6.662
   68    HE1  TYR  85           HE2      TYR  85  -3.156  14.283  -4.540
   69    HE2  TYR  85           HE1      TYR  85   0.536  12.025  -4.339
   70    HH   TYR  85           HH       TYR  85  -0.238  13.437  -2.646
   71    H    LYS  86           H        LYS  86  -4.794  11.112 -10.182
   72    HA   LYS  86           HA       LYS  86  -3.578   9.615 -12.491
   73    HB2  LYS  86           HB2      LYS  86  -5.192   8.418 -10.864
   74    HB3  LYS  86           HB3      LYS  86  -6.467   9.423 -11.551
   75    HG2  LYS  86           HG2      LYS  86  -4.807   7.256 -12.845
   76    HG3  LYS  86           HG3      LYS  86  -6.528   7.265 -12.510
   77    HD2  LYS  86           HD2      LYS  86  -6.815   9.133 -14.196
   78    HD3  LYS  86           HD3      LYS  86  -5.095   8.987 -14.582
   79    HE2  LYS  86           HE2      LYS  86  -6.240   7.788 -16.274
   80    HE3  LYS  86           HE3      LYS  86  -5.460   6.586 -15.240
   81    HZ1  LYS  86           HZ1      LYS  86  -7.768   5.991 -15.804
   82    HZ2  LYS  86           HZ2      LYS  86  -7.650   6.182 -14.192
   83    HZ3  LYS  86           HZ3      LYS  86  -8.348   7.346 -15.109
   84    H    ASN  87           H        ASN  87  -3.165  11.273 -13.888
   85    HA   ASN  87           HA       ASN  87  -4.631  13.744 -13.828
   86    HB2  ASN  87           HB2      ASN  87  -2.238  13.548 -14.177
   87    HB3  ASN  87           HB3      ASN  87  -2.477  12.747 -15.727
   88   HD21  ASN  87          HD22      ASN  87  -1.043  15.276 -15.087
   89   HD22  ASN  87          HD21      ASN  87  -1.904  16.525 -15.981
   90    HA   PRO  88           HA       PRO  88  -7.674  12.391 -16.920
   91    HB2  PRO  88           HB2      PRO  88  -9.298  14.584 -16.918
   92    HB3  PRO  88           HB3      PRO  88  -9.245  13.395 -15.578
   93    HG2  PRO  88           HG2      PRO  88  -7.817  16.060 -15.759
   94    HG3  PRO  88           HG3      PRO  88  -8.777  15.405 -14.393
   95    HD2  PRO  88           HD2      PRO  88  -6.043  15.245 -14.511
   96    HD3  PRO  88           HD3      PRO  88  -7.039  13.971 -13.744
   97    H    HIS  89           H        HIS  89  -5.565  15.192 -17.221
   98    HA   HIS  89           HA       HIS  89  -6.376  15.832 -19.981
   99    HB2  HIS  89           HB2      HIS  89  -4.069  16.888 -18.288
  100    HB3  HIS  89           HB3      HIS  89  -4.618  17.544 -19.826
  101    HD1  HIS  89           HD1      HIS  89  -7.216  18.616 -19.779
  102    HD2  HIS  89           HD2      HIS  89  -5.253  17.802 -16.125
  103    HE1  HIS  89           HE1      HIS  89  -8.481  19.942 -17.978
  104    HE2  HIS  89           HE2      HIS  89  -7.280  19.458 -15.752
  105    H    THR  90           H        THR  90  -3.944  13.820 -18.468
  106    HA   THR  90           HA       THR  90  -2.584  13.392 -21.120
  107    HB   THR  90           HB       THR  90  -0.544  13.004 -19.872
  108    HG1  THR  90           HG1      THR  90  -0.606  13.349 -17.582
  109   HG21  THR  90          HG21      THR  90  -1.155  15.414 -20.343
  110   HG22  THR  90          HG22      THR  90  -1.849  15.504 -18.702
  111   HG23  THR  90          HG23      THR  90  -0.110  15.185 -18.924
  112    H    GLY  91           H        GLY  91  -4.113  11.732 -18.414
  113    HA2  GLY  91           HA2      GLY  91  -4.651   9.509 -18.166
  114    HA3  GLY  91           HA3      GLY  91  -3.828   9.113 -19.680
  115    H    GLU  92           H        GLU  92  -1.707  10.933 -17.610
  116    HA   GLU  92           HA       GLU  92  -0.148   8.584 -16.938
  117    HB2  GLU  92           HB2      GLU  92   0.194  11.558 -16.536
  118    HB3  GLU  92           HB3      GLU  92   1.194  10.407 -15.658
  119    HG2  GLU  92           HG2      GLU  92   0.953  10.196 -18.639
  120    HG3  GLU  92           HG3      GLU  92   2.076  11.344 -17.871
  121    H    VAL  93           H        VAL  93   0.370   8.054 -14.910
  122    HA   VAL  93           HA       VAL  93  -1.351   8.869 -12.632
  123    HB   VAL  93           HB       VAL  93  -0.518   6.066 -13.248
  124   HG11  VAL  93          HG11      VAL  93  -2.745   7.188 -11.435
  125   HG12  VAL  93          HG12      VAL  93  -2.443   5.462 -11.713
  126   HG13  VAL  93          HG13      VAL  93  -1.237   6.424 -10.874
  127   HG21  VAL  93          HG21      VAL  93  -1.921   6.481 -15.103
  128   HG22  VAL  93          HG22      VAL  93  -2.979   5.680 -13.945
  129   HG23  VAL  93          HG23      VAL  93  -3.048   7.454 -14.147
  130    H    ILE  94           H        ILE  94  -0.437   8.517 -10.630
  131    HA   ILE  94           HA       ILE  94   2.384   7.726 -10.303
  132    HB   ILE  94           HB       ILE  94   1.839  10.000  -8.588
  133   HG12  ILE  94          HG12      ILE  94   1.883  10.826 -11.516
  134   HG13  ILE  94          HG13      ILE  94   0.463  10.880 -10.457
  135   HG21  ILE  94          HG21      ILE  94   4.048   8.919  -9.102
  136   HG22  ILE  94          HG22      ILE  94   4.003   9.722 -10.694
  137   HG23  ILE  94          HG23      ILE  94   4.042  10.668  -9.180
  138   HD11  ILE  94          HD11      ILE  94   1.703  12.350  -8.883
  139   HD12  ILE  94          HD12      ILE  94   3.008  12.464 -10.092
  140   HD13  ILE  94          HD13      ILE  94   1.387  13.065 -10.488
  141    H    GLU  95           H        GLU  95   2.886   7.657  -7.985
  142    HA   GLU  95           HA       GLU  95   0.730   7.382  -6.001
  143    HB2  GLU  95           HB2      GLU  95   2.572   5.189  -6.967
  144    HB3  GLU  95           HB3      GLU  95   1.971   5.188  -5.291
  145    HG2  GLU  95           HG2      GLU  95  -0.312   5.103  -6.013
  146    HG3  GLU  95           HG3      GLU  95   0.148   5.250  -7.715
  147    H    THR  96           H        THR  96   1.430   8.567  -4.308
  148    HA   THR  96           HA       THR  96   4.249   8.361  -3.391
  149    HB   THR  96           HB       THR  96   4.895  10.473  -3.722
  150    HG1  THR  96           HG1      THR  96   3.582  12.268  -3.433
  151   HG21  THR  96          HG21      THR  96   4.101  10.003  -6.056
  152   HG22  THR  96          HG22      THR  96   2.523  10.712  -5.625
  153   HG23  THR  96          HG23      THR  96   3.993  11.714  -5.640
  154    H    LYS  97           H        LYS  97   4.535   8.940  -1.157
  155    HA   LYS  97           HA       LYS  97   2.014   8.933   0.459
  156    HB2  LYS  97           HB2      LYS  97   4.885   8.733   1.338
  157    HB3  LYS  97           HB3      LYS  97   3.475   8.373   2.324
  158    HG2  LYS  97           HG2      LYS  97   2.976   6.384   1.043
  159    HG3  LYS  97           HG3      LYS  97   4.180   6.776  -0.177
  160    HD2  LYS  97           HD2      LYS  97   5.934   6.653   1.722
  161    HD3  LYS  97           HD3      LYS  97   4.664   5.880   2.672
  162    HE2  LYS  97           HE2      LYS  97   5.985   4.147   1.713
  163    HE3  LYS  97           HE3      LYS  97   4.457   4.148   0.834
  164    HZ1  LYS  97           HZ1      LYS  97   6.442   3.998  -0.643
  165    HZ2  LYS  97           HZ2      LYS  97   5.600   5.364  -0.979
  166    HZ3  LYS  97           HZ3      LYS  97   6.982   5.463  -0.136
  167    H    GLY  98           H        GLY  98   3.483  11.271  -1.044
  168    HA2  GLY  98           HA2      GLY  98   2.883  13.605  -0.325
  169    HA3  GLY  98           HA3      GLY  98   3.756  13.243   1.171
  170    H    GLY  99           H        GLY  99   4.926  15.139   0.573
  171    HA2  GLY  99           HA2      GLY  99   6.924  16.062   0.212
  172    HA3  GLY  99           HA3      GLY  99   7.509  14.493  -0.298
  173    H    ASN 100           H        ASN 100   8.600  16.679  -1.217
  174    HA   ASN 100           HA       ASN 100   7.991  17.621  -3.821
  175    HB2  ASN 100           HB2      ASN 100   9.659  18.720  -2.530
  176    HB3  ASN 100           HB3      ASN 100  10.427  17.221  -2.088
  177   HD21  ASN 100          HD22      ASN 100  12.288  18.599  -2.549
  178   HD22  ASN 100          HD21      ASN 100  13.002  18.237  -4.108
  179    H    HIS 101           H        HIS 101   7.265  16.149  -5.266
  180    HA   HIS 101           HA       HIS 101   9.117  13.995  -6.168
  181    HB2  HIS 101           HB2      HIS 101   7.181  13.120  -4.795
  182    HB3  HIS 101           HB3      HIS 101   6.083  13.729  -6.018
  183    HD1  HIS 101           HD1      HIS 101   8.999  11.118  -5.676
  184    HD2  HIS 101           HD2      HIS 101   5.698  12.158  -8.133
  185    HE1  HIS 101           HE1      HIS 101   8.718   9.224  -7.370
  186    HE2  HIS 101           HE2      HIS 101   6.746   9.856  -8.883
  187    H    LYS 102           H        LYS 102   9.533  14.024  -8.333
  188    HA   LYS 102           HA       LYS 102   9.285  16.372  -9.753
  189    HB2  LYS 102           HB2      LYS 102  10.897  14.534 -10.094
  190    HB3  LYS 102           HB3      LYS 102   9.705  13.721 -11.122
  191    HG2  LYS 102           HG2      LYS 102   9.580  15.708 -12.577
  192    HG3  LYS 102           HG3      LYS 102  10.640  16.624 -11.500
  193    HD2  LYS 102           HD2      LYS 102  11.416  14.116 -13.005
  194    HD3  LYS 102           HD3      LYS 102  11.755  15.782 -13.525
  195    HE2  LYS 102           HE2      LYS 102  13.074  16.160 -11.432
  196    HE3  LYS 102           HE3      LYS 102  12.795  14.478 -10.963
  197    HZ1  LYS 102           HZ1      LYS 102  14.919  14.691 -11.983
  198    HZ2  LYS 102           HZ2      LYS 102  13.992  13.794 -12.996
  199    HZ3  LYS 102           HZ3      LYS 102  14.321  15.365 -13.357
  200    H    THR 103           H        THR 103   7.419  13.531 -11.011
  201    HA   THR 103           HA       THR 103   5.970  15.073 -12.855
  202    HB   THR 103           HB       THR 103   4.962  12.535 -11.545
  203    HG1  THR 103           HG1      THR 103   6.067  11.551 -13.296
  204   HG21  THR 103          HG21      THR 103   4.339  14.020 -14.126
  205   HG22  THR 103          HG22      THR 103   3.933  12.285 -13.912
  206   HG23  THR 103          HG23      THR 103   3.215  13.509 -12.853
  207    H    LEU 104           H        LEU 104   5.076  14.309  -9.512
  208    HA   LEU 104           HA       LEU 104   2.462  15.424  -9.499
  209    HB2  LEU 104           HB2      LEU 104   3.449  13.882  -7.803
  210    HB3  LEU 104           HB3      LEU 104   4.536  15.162  -7.268
  211    HG   LEU 104           HG       LEU 104   2.650  16.476  -6.433
  212   HD11  LEU 104          HD11      LEU 104   0.376  15.451  -6.325
  213   HD12  LEU 104          HD12      LEU 104   0.869  15.770  -7.993
  214   HD13  LEU 104          HD13      LEU 104   0.929  14.115  -7.344
  215   HD21  LEU 104          HD21      LEU 104   2.013  15.004  -4.585
  216   HD22  LEU 104          HD22      LEU 104   2.536  13.579  -5.494
  217   HD23  LEU 104          HD23      LEU 104   3.726  14.800  -4.965
  218    H    LYS 105           H        LYS 105   5.661  16.966  -9.032
  219    HA   LYS 105           HA       LYS 105   4.574  19.572  -8.372
  220    HB2  LYS 105           HB2      LYS 105   6.847  18.906  -7.697
  221    HB3  LYS 105           HB3      LYS 105   7.326  18.711  -9.372
  222    HG2  LYS 105           HG2      LYS 105   8.224  20.780  -8.525
  223    HG3  LYS 105           HG3      LYS 105   7.072  21.106  -9.803
  224    HD2  LYS 105           HD2      LYS 105   6.710  22.750  -8.138
  225    HD3  LYS 105           HD3      LYS 105   5.338  21.656  -8.012
  226    HE2  LYS 105           HE2      LYS 105   6.536  20.487  -6.092
  227    HE3  LYS 105           HE3      LYS 105   7.846  21.665  -6.262
  228    HZ1  LYS 105           HZ1      LYS 105   6.401  22.451  -4.551
  229    HZ2  LYS 105           HZ2      LYS 105   6.066  23.426  -5.828
  230    HZ3  LYS 105           HZ3      LYS 105   5.050  22.183  -5.379
  231    H    GLU 106           H        GLU 106   5.391  17.994 -11.482
  232    HA   GLU 106           HA       GLU 106   5.197  20.421 -13.006
  233    HB2  GLU 106           HB2      GLU 106   4.533  17.645 -14.021
  234    HB3  GLU 106           HB3      GLU 106   5.067  19.065 -14.958
  235    HG2  GLU 106           HG2      GLU 106   7.225  18.888 -13.531
  236    HG3  GLU 106           HG3      GLU 106   6.559  17.310 -13.052
  237    H    TRP 107           H        TRP 107   2.928  17.839 -12.202
  238    HA   TRP 107           HA       TRP 107   0.666  18.920 -13.580
  239    HB2  TRP 107           HB2      TRP 107   0.721  17.282 -11.026
  240    HB3  TRP 107           HB3      TRP 107  -0.705  17.606 -12.014
  241    HD1  TRP 107           HD1      TRP 107   2.055  16.810 -14.352
  242    HE1  TRP 107           HE1      TRP 107   1.934  14.372 -15.100
  243    HE3  TRP 107           HE3      TRP 107  -1.403  15.082 -10.983
  244    HZ2  TRP 107           HZ2      TRP 107   0.750  11.954 -14.196
  245    HZ3  TRP 107           HZ3      TRP 107  -2.100  12.698 -11.059
  246    HH2  TRP 107           HH2      TRP 107  -0.989  11.114 -12.614
  247    H    LYS 108           H        LYS 108   1.827  19.672 -10.280
  248    HA   LYS 108           HA       LYS 108  -0.323  21.509  -9.626
  249    HB2  LYS 108           HB2      LYS 108   2.558  21.323  -8.636
  250    HB3  LYS 108           HB3      LYS 108   1.370  22.476  -8.022
  251    HG2  LYS 108           HG2      LYS 108  -0.143  20.566  -7.437
  252    HG3  LYS 108           HG3      LYS 108   1.140  19.446  -7.895
  253    HD2  LYS 108           HD2      LYS 108   2.661  20.665  -6.249
  254    HD3  LYS 108           HD3      LYS 108   1.234  21.583  -5.719
  255    HE2  LYS 108           HE2      LYS 108   0.091  19.346  -5.224
  256    HE3  LYS 108           HE3      LYS 108   1.598  18.545  -5.654
  257    HZ1  LYS 108           HZ1      LYS 108   1.694  18.773  -3.359
  258    HZ2  LYS 108           HZ2      LYS 108   2.649  20.043  -3.880
  259    HZ3  LYS 108           HZ3      LYS 108   1.134  20.329  -3.341
  260    H    ALA 109           H        ALA 109   2.749  21.916 -11.435
  261    HA   ALA 109           HA       ALA 109   2.621  24.772 -11.574
  262    HB1  ALA 109           HB1      ALA 109   4.657  23.311 -12.014
  263    HB2  ALA 109           HB2      ALA 109   3.909  22.827 -13.555
  264    HB3  ALA 109           HB3      ALA 109   4.335  24.514 -13.288
  265    H    LYS 110           H        LYS 110   1.761  22.168 -13.825
  266    HA   LYS 110           HA       LYS 110   0.951  23.750 -15.887
  267    HB2  LYS 110           HB2      LYS 110   0.673  20.824 -15.242
  268    HB3  LYS 110           HB3      LYS 110  -0.015  21.467 -16.745
  269    HG2  LYS 110           HG2      LYS 110   2.193  22.332 -17.420
  270    HG3  LYS 110           HG3      LYS 110   2.906  21.769 -15.906
  271    HD2  LYS 110           HD2      LYS 110   3.506  20.125 -17.505
  272    HD3  LYS 110           HD3      LYS 110   2.204  19.419 -16.550
  273    HE2  LYS 110           HE2      LYS 110   1.654  18.855 -18.772
  274    HE3  LYS 110           HE3      LYS 110   0.589  20.213 -18.390
  275    HZ1  LYS 110           HZ1      LYS 110   1.640  20.459 -20.585
  276    HZ2  LYS 110           HZ2      LYS 110   2.151  21.674 -19.622
  277    HZ3  LYS 110           HZ3      LYS 110   3.134  20.402 -19.944
  278    H    TRP 111           H        TRP 111  -1.032  22.219 -13.402
  279    HA   TRP 111           HA       TRP 111  -3.494  23.572 -14.484
  280    HB2  TRP 111           HB2      TRP 111  -3.320  20.769 -13.340
  281    HB3  TRP 111           HB3      TRP 111  -4.783  21.582 -13.867
  282    HD1  TRP 111           HD1      TRP 111  -5.022  22.064 -16.543
  283    HE1  TRP 111           HE1      TRP 111  -4.126  20.777 -18.579
  284    HE3  TRP 111           HE3      TRP 111  -1.402  19.328 -14.224
  285    HZ2  TRP 111           HZ2      TRP 111  -2.082  18.799 -19.129
  286    HZ3  TRP 111           HZ3      TRP 111   0.076  17.799 -15.538
  287    HH2  TRP 111           HH2      TRP 111  -0.286  17.498 -17.967
  288    H    GLY 112           H        GLY 112  -2.175  22.054 -11.468
  289    HA2  GLY 112           HA2      GLY 112  -1.997  23.997  -9.758
  290    HA3  GLY 112           HA3      GLY 112  -3.747  24.048  -9.853
  291    HA   PRO 113           HA       PRO 113  -2.167  20.775  -6.711
  292    HB2  PRO 113           HB2      PRO 113  -2.548  22.177  -4.337
  293    HB3  PRO 113           HB3      PRO 113  -1.000  21.993  -5.208
  294    HG2  PRO 113           HG2      PRO 113  -2.939  24.303  -5.304
  295    HG3  PRO 113           HG3      PRO 113  -1.142  24.344  -5.209
  296    HD2  PRO 113           HD2      PRO 113  -2.485  24.745  -7.536
  297    HD3  PRO 113           HD3      PRO 113  -0.927  23.864  -7.496
  298    H    GLU 114           H        GLU 114  -4.898  23.104  -6.599
  299    HA   GLU 114           HA       GLU 114  -6.702  21.553  -5.044
  300    HB2  GLU 114           HB2      GLU 114  -7.456  23.277  -7.418
  301    HB3  GLU 114           HB3      GLU 114  -8.392  22.898  -5.944
  302    HG2  GLU 114           HG2      GLU 114  -6.612  24.191  -4.649
  303    HG3  GLU 114           HG3      GLU 114  -5.942  24.655  -6.224
  304    H    ALA 115           H        ALA 115  -6.133  21.733  -8.479
  305    HA   ALA 115           HA       ALA 115  -8.012  19.829  -9.431
  306    HB1  ALA 115           HB1      ALA 115  -6.607  21.559 -10.729
  307    HB2  ALA 115           HB2      ALA 115  -5.273  20.353 -10.672
  308    HB3  ALA 115           HB3      ALA 115  -6.795  19.954 -11.473
  309    H    VAL 116           H        VAL 116  -4.534  19.540  -8.823
  310    HA   VAL 116           HA       VAL 116  -4.197  16.901  -9.359
  311    HB   VAL 116           HB       VAL 116  -2.710  18.877  -7.635
  312   HG11  VAL 116          HG11      VAL 116  -1.670  16.104  -8.297
  313   HG12  VAL 116          HG12      VAL 116  -0.744  17.458  -7.584
  314   HG13  VAL 116          HG13      VAL 116  -2.051  16.718  -6.673
  315   HG21  VAL 116          HG21      VAL 116  -2.071  17.538 -10.288
  316   HG22  VAL 116          HG22      VAL 116  -2.854  19.118 -10.156
  317   HG23  VAL 116          HG23      VAL 116  -1.197  18.908  -9.548
  318    H    GLU 117           H        GLU 117  -4.909  18.317  -6.130
  319    HA   GLU 117           HA       GLU 117  -4.905  15.768  -4.728
  320    HB2  GLU 117           HB2      GLU 117  -6.193  18.464  -4.099
  321    HB3  GLU 117           HB3      GLU 117  -6.213  17.068  -3.018
  322    HG2  GLU 117           HG2      GLU 117  -3.733  17.059  -2.956
  323    HG3  GLU 117           HG3      GLU 117  -3.695  18.502  -3.967
  324    H    SER 118           H        SER 118  -7.410  17.573  -6.519
  325    HA   SER 118           HA       SER 118  -9.646  15.966  -5.626
  326    HB2  SER 118           HB2      SER 118  -9.835  18.241  -6.646
  327    HB3  SER 118           HB3      SER 118  -9.390  17.541  -8.215
  328    HG   SER 118           HG       SER 118 -11.692  17.685  -7.876
  329    H    TRP 119           H        TRP 119  -7.297  15.632  -8.252
  330    HA   TRP 119           HA       TRP 119  -8.518  13.332  -9.514
  331    HB2  TRP 119           HB2      TRP 119  -5.606  14.156  -9.565
  332    HB3  TRP 119           HB3      TRP 119  -6.441  13.132 -10.710
  333    HD1  TRP 119           HD1      TRP 119  -8.936  15.471 -10.849
  334    HE1  TRP 119           HE1      TRP 119  -8.509  17.480 -12.387
  335    HE3  TRP 119           HE3      TRP 119  -3.874  14.971 -11.412
  336    HZ2  TRP 119           HZ2      TRP 119  -6.234  18.733 -13.659
  337    HZ3  TRP 119           HZ3      TRP 119  -2.614  16.543 -12.863
  338    HH2  TRP 119           HH2      TRP 119  -3.774  18.433 -13.958
  339    H    ALA 120           H        ALA 120  -7.040  13.515  -6.406
  340    HA   ALA 120           HA       ALA 120  -5.468  11.172  -6.630
  341    HB1  ALA 120           HB1      ALA 120  -6.409  12.350  -4.017
  342    HB2  ALA 120           HB2      ALA 120  -4.912  11.451  -4.384
  343    HB3  ALA 120           HB3      ALA 120  -5.139  13.107  -5.005
  344    H    THR 121           H        THR 121  -5.577   9.547  -5.174
  345    HA   THR 121           HA       THR 121  -8.119   8.093  -4.454
  346    HB   THR 121           HB       THR 121  -5.769   7.064  -6.065
  347    HG1  THR 121           HG1      THR 121  -8.445   7.544  -6.946
  348   HG21  THR 121          HG21      THR 121  -6.725   5.245  -4.799
  349   HG22  THR 121          HG22      THR 121  -8.376   5.852  -5.091
  350   HG23  THR 121          HG23      THR 121  -7.430   5.101  -6.415
  351    H    LEU 122           H        LEU 122  -7.824   6.811  -2.674
  352    HA   LEU 122           HA       LEU 122  -5.250   7.142  -1.189
  353    HB2  LEU 122           HB2      LEU 122  -7.150   8.029  -0.048
  354    HB3  LEU 122           HB3      LEU 122  -8.123   6.604  -0.388
  355    HG   LEU 122           HG       LEU 122  -6.745   5.236   1.120
  356   HD11  LEU 122          HD11      LEU 122  -4.547   6.357   0.972
  357   HD12  LEU 122          HD12      LEU 122  -5.221   7.785   1.788
  358   HD13  LEU 122          HD13      LEU 122  -5.095   6.220   2.635
  359   HD21  LEU 122          HD21      LEU 122  -7.442   6.255   3.238
  360   HD22  LEU 122          HD22      LEU 122  -7.671   7.827   2.429
  361   HD23  LEU 122          HD23      LEU 122  -8.705   6.440   2.013
  362    H    LEU 123           H        LEU 123  -3.945   5.491  -1.007
  363    HA   LEU 123           HA       LEU 123  -4.870   2.687  -1.452
  364    HB2  LEU 123           HB2      LEU 123  -2.271   4.064  -2.273
  365    HB3  LEU 123           HB3      LEU 123  -2.645   2.349  -2.485
  366    HG   LEU 123           HG       LEU 123  -4.110   4.710  -3.772
  367   HD11  LEU 123          HD11      LEU 123  -1.879   4.358  -4.649
  368   HD12  LEU 123          HD12      LEU 123  -2.162   2.620  -4.847
  369   HD13  LEU 123          HD13      LEU 123  -3.062   3.776  -5.847
  370   HD21  LEU 123          HD21      LEU 123  -5.210   2.982  -5.183
  371   HD22  LEU 123          HD22      LEU 123  -4.451   1.695  -4.208
  372   HD23  LEU 123          HD23      LEU 123  -5.653   2.777  -3.489
  373    H    GLY 124           H        GLY 124  -4.678   1.438   0.156
  374    HA2  GLY 124           HA2      GLY 124  -3.443   2.214   2.643
  375    HA3  GLY 124           HA3      GLY 124  -4.251   0.682   2.296
  376    H    HIS 125           H        HIS 125  -2.113   0.460  -0.016
  377    HA   HIS 125           HA       HIS 125   0.321  -0.291   1.517
  378    HB2  HIS 125           HB2      HIS 125  -1.091  -2.211  -0.348
  379    HB3  HIS 125           HB3      HIS 125   0.427  -2.443   0.515
  380    HD1  HIS 125           HD1      HIS 125  -3.170  -3.183   0.920
  381    HD2  HIS 125           HD2      HIS 125   0.170  -2.382   3.372
  382    HE1  HIS 125           HE1      HIS 125  -3.781  -4.028   3.285
  383    HE2  HIS 125           HE2      HIS 125  -1.744  -3.533   4.771
  384    H5'   DC   1           H5'       DC   1  -4.740  29.034   7.425
  385   H5''   DC   1          H5''       DC   1  -3.336  29.818   6.705
  386    H4'   DC   1           H4'       DC   1  -3.060  29.770   9.079
  387    H3'   DC   1           H3'       DC   1  -1.200  28.640   7.320
  388    H2'   DC   1           H2'       DC   1  -1.333  26.477   7.911
  389   H2''   DC   1          H2''       DC   1  -0.365  26.898   9.309
  390    H1'   DC   1           H1'       DC   1  -2.137  27.095  10.753
  391    H41   DC   1           H41       DC   1  -4.941  21.411   8.822
  392    H42   DC   1           H42       DC   1  -4.845  21.426  10.588
  393    H5    DC   1           H5        DC   1  -4.109  23.306   7.463
  394    H6    DC   1           H6        DC   1  -3.155  25.526   7.614
  395   HO5'   DC   1          H5T        DC   1  -3.996  27.904   5.526
  396    H5'   DG   2           H5'       DG   2   0.097  28.996  11.899
  397   H5''   DG   2          H5''       DG   2   1.671  29.777  11.948
  398    H4'   DG   2           H4'       DG   2   1.679  28.264  13.723
  399    H3'   DG   2           H3'       DG   2   3.574  27.912  11.678
  400    H2'   DG   2           H2'       DG   2   2.571  26.000  10.807
  401   H2''   DG   2          H2''       DG   2   3.619  25.200  11.993
  402    H1'   DG   2           H1'       DG   2   1.895  25.117  13.644
  403    H8    DG   2           H8        DG   2   0.705  25.165  10.002
  404    H1    DG   2           H1        DG   2  -1.327  20.120  13.457
  405    H21   DG   2           H21       DG   2   0.483  21.630  15.957
  406    H22   DG   2           H22       DG   2  -0.498  20.248  15.457
  407    H5'   DC   3           H5'       DC   3   3.958  25.463  15.708
  408   H5''   DC   3          H5''       DC   3   5.640  25.441  16.236
  409    H4'   DC   3           H4'       DC   3   4.563  23.401  16.902
  410    H3'   DC   3           H3'       DC   3   6.831  23.353  15.076
  411    H2'   DC   3           H2'       DC   3   6.058  21.829  13.616
  412   H2''   DC   3          H2''       DC   3   6.003  20.626  14.911
  413    H1'   DC   3           H1'       DC   3   3.788  20.903  15.345
  414    H41   DC   3           H41       DC   3   1.744  21.381   9.067
  415    H42   DC   3           H42       DC   3   1.101  19.910   9.807
  416    H5    DC   3           H5        DC   3   3.347  22.813  10.276
  417    H6    DC   3           H6        DC   3   4.407  23.148  12.502
  418    H5'   DA   4           H5'       DA   4   5.998  19.594  17.426
  419   H5''   DA   4          H5''       DA   4   7.424  18.910  18.214
  420    H4'   DA   4           H4'       DA   4   6.189  17.111  17.349
  421    H3'   DA   4           H3'       DA   4   8.815  17.594  16.277
  422    H2'   DA   4           H2'       DA   4   8.060  17.927  14.141
  423   H2''   DA   4          H2''       DA   4   8.095  16.165  14.036
  424    H1'   DA   4           H1'       DA   4   5.781  15.954  14.675
  425    H8    DA   4           H8        DA   4   6.710  19.288  13.047
  426    H61   DA   4           H61       DA   4   2.583  17.604   8.660
  427    H62   DA   4           H62       DA   4   3.617  18.916   9.199
  428    H2    DA   4           H2        DA   4   2.896  14.341  11.503
  429    H5'   DT   5           H5'       DT   5   6.996  13.409  15.464
  430   H5''   DT   5          H5''       DT   5   8.179  12.153  15.858
  431    H4'   DT   5           H4'       DT   5   7.008  11.437  13.938
  432    H3'   DT   5           H3'       DT   5   9.839  11.876  13.772
  433    H2'   DT   5           H2'       DT   5   9.702  13.475  12.133
  434   H2''   DT   5          H2''       DT   5   9.539  12.096  11.035
  435    H1'   DT   5           H1'       DT   5   7.161  12.132  11.107
  436    H3    DT   5           H3        DT   5   5.615  15.299   8.286
  437    H71   DT   5           H71       DT   5   9.389  17.961   9.748
  438    H72   DT   5           H72       DT   5   8.130  18.586  10.809
  439    H73   DT   5           H73       DT   5   9.424  17.570  11.480
  440    H6    DT   5           H6        DT   5   8.872  15.392  11.859
  441    H5'   DA   6           H5'       DA   6   7.360   9.070  10.968
  442   H5''   DA   6          H5''       DA   6   8.268   7.574  10.768
  443    H4'   DA   6           H4'       DA   6   6.889   7.849   8.882
  444    H3'   DA   6           H3'       DA   6   9.648   7.534   8.559
  445    H2'   DA   6           H2'       DA   6  10.130   9.701   7.994
  446   H2''   DA   6          H2''       DA   6   9.734   9.168   6.367
  447    H1'   DA   6           H1'       DA   6   7.553  10.008   6.430
  448    H8    DA   6           H8        DA   6   9.997  11.618   8.913
  449    H61   DA   6           H61       DA   6   8.312  16.923   6.042
  450    H62   DA   6           H62       DA   6   9.466  16.255   7.193
  451    H2    DA   6           H2        DA   6   5.907  13.712   4.416
  452    H5'   DT   7           H5'       DT   7   6.855   7.840   5.119
  453   H5''   DT   7          H5''       DT   7   7.061   6.679   3.814
  454    H4'   DT   7           H4'       DT   7   6.261   8.822   2.985
  455    H3'   DT   7           H3'       DT   7   8.557   7.529   1.914
  456    H2'   DT   7           H2'       DT   7  10.019   9.213   2.643
  457   H2''   DT   7          H2''       DT   7   9.538   9.967   1.106
  458    H1'   DT   7           H1'       DT   7   7.692  11.133   2.139
  459    H3    DT   7           H3        DT   7   9.832  14.920   3.325
  460    H71   DT   7           H71       DT   7  12.114  10.783   6.046
  461    H72   DT   7           H72       DT   7  13.128  12.121   5.457
  462    H73   DT   7           H73       DT   7  12.020  12.388   6.808
  463    H6    DT   7           H6        DT   7  10.396  10.297   4.544
  464    H5'   DA   8           H5'       DA   8   7.374  10.806  -1.406
  465   H5''   DA   8          H5''       DA   8   7.471   9.900  -2.914
  466    H4'   DA   8           H4'       DA   8   8.701  11.832  -3.334
  467    H3'   DA   8           H3'       DA   8  10.376   9.438  -3.006
  468    H2'   DA   8           H2'       DA   8  11.801  10.413  -1.545
  469   H2''   DA   8          H2''       DA   8  12.394  11.360  -2.936
  470    H1'   DA   8           H1'       DA   8  10.997  13.179  -2.497
  471    H8    DA   8           H8        DA   8  11.541  11.024   0.753
  472    H61   DA   8           H61       DA   8  13.390  16.607   3.004
  473    H62   DA   8           H62       DA   8  13.121  14.953   3.543
  474    H2    DA   8           H2        DA   8  12.271  17.153  -1.030
  475    H5'   DT   9           H5'       DT   9  11.022  12.864  -6.143
  476   H5''   DT   9          H5''       DT   9  11.759  12.160  -7.591
  477    H4'   DT   9           H4'       DT   9  12.379  14.475  -7.459
  478    H3'   DT   9           H3'       DT   9  14.323  12.412  -7.505
  479    H2'   DT   9           H2'       DT   9  15.261  12.784  -5.502
  480   H2''   DT   9          H2''       DT   9  16.086  14.145  -6.240
  481    H1'   DT   9           H1'       DT   9  14.552  15.731  -5.539
  482    H3    DT   9           H3        DT   9  15.391  16.430  -1.153
  483    H71   DT   9           H71       DT   9  14.299  11.804  -0.319
  484    H72   DT   9           H72       DT   9  14.620  11.075  -1.910
  485    H73   DT   9           H73       DT   9  15.960  11.633  -0.888
  486    H6    DT   9           H6        DT   9  14.223  12.500  -3.702
  487    H5'   DG  10           H5'       DG  10  15.189  16.888  -8.081
  488   H5''   DG  10          H5''       DG  10  16.105  17.095  -9.570
  489    H4'   DG  10           H4'       DG  10  16.608  18.934  -8.176
  490    H3'   DG  10           H3'       DG  10  18.642  17.292  -9.149
  491    H2'   DG  10           H2'       DG  10  19.030  16.185  -7.136
  492   H2''   DG  10          H2''       DG  10  20.172  17.506  -6.892
  493    H1'   DG  10           H1'       DG  10  18.632  18.799  -5.637
  494    H8    DG  10           H8        DG  10  17.968  15.035  -5.611
  495    H1    DG  10           H1        DG  10  19.119  17.618   0.174
  496    H21   DG  10           H21       DG  10  19.523  20.498  -1.645
  497    H22   DG  10           H22       DG  10  19.632  19.692  -0.076
  498    H5'   DC  11           H5'       DC  11  19.824  21.293  -6.864
  499   H5''   DC  11          H5''       DC  11  20.915  22.152  -7.949
  500    H4'   DC  11           H4'       DC  11  21.397  22.830  -5.733
  501    H3'   DC  11           H3'       DC  11  23.385  21.791  -7.389
  502    H2'   DC  11           H2'       DC  11  23.657  19.752  -6.348
  503   H2''   DC  11          H2''       DC  11  24.730  20.641  -5.270
  504    H1'   DC  11           H1'       DC  11  23.124  20.973  -3.638
  505    H41   DC  11           H41       DC  11  21.225  14.651  -3.286
  506    H42   DC  11           H42       DC  11  21.513  15.268  -1.652
  507    H5    DC  11           H5        DC  11  21.597  16.023  -5.246
  508    H6    DC  11           H6        DC  11  22.163  18.329  -5.980
  509    H5'   DG  12           H5'       DG  12  25.268  23.218  -3.403
  510   H5''   DG  12          H5''       DG  12  26.868  23.941  -3.603
  511    H4'   DG  12           H4'       DG  12  26.991  22.322  -1.854
  512    H3'   DG  12           H3'       DG  12  28.328  21.443  -4.398
  513   HO3'   DG  12          H3T        DG  12  30.187  21.783  -3.062
  514    H2'   DG  12           H2'       DG  12  28.399  19.288  -3.762
  515   H2''   DG  12          H2''       DG  12  28.951  19.699  -2.118
  516    H1'   DG  12           H1'       DG  12  26.837  19.730  -1.249
  517    H8    DG  12           H8        DG  12  26.174  18.677  -4.885
  518    H1    DG  12           H1        DG  12  24.687  14.337  -0.348
  519    H21   DG  12           H21       DG  12  26.016  16.732   1.748
  520    H22   DG  12           H22       DG  12  25.400  15.087   1.600
  521    H5'   DC  13           H5'       DC  13  24.965   7.672   4.723
  522   H5''   DC  13          H5''       DC  13  24.286   7.771   6.347
  523    H4'   DC  13           H4'       DC  13  25.705   9.666   5.960
  524    H3'   DC  13           H3'       DC  13  23.062   9.884   6.784
  525    H2'   DC  13           H2'       DC  13  22.205  10.751   4.806
  526   H2''   DC  13          H2''       DC  13  22.715  12.299   5.512
  527    H1'   DC  13           H1'       DC  13  24.796  12.278   4.436
  528    H41   DC  13           H41       DC  13  22.178  11.709  -1.609
  529    H42   DC  13           H42       DC  13  23.386  13.000  -1.637
  530    H5    DC  13           H5        DC  13  21.659  10.458   0.431
  531    H6    DC  13           H6        DC  13  22.306  10.166   2.755
  532   HO5'   DC  13          H5T        DC  13  22.699   7.113   4.745
  533    H5'   DG  14           H5'       DG  14  25.725  14.076   7.052
  534   H5''   DG  14          H5''       DG  14  25.423  14.509   8.730
  535    H4'   DG  14           H4'       DG  14  25.763  16.532   7.656
  536    H3'   DG  14           H3'       DG  14  23.309  16.123   8.886
  537    H2'   DG  14           H2'       DG  14  22.067  15.757   6.937
  538   H2''   DG  14          H2''       DG  14  21.896  17.496   6.975
  539    H1'   DG  14           H1'       DG  14  23.593  17.873   5.438
  540    H8    DG  14           H8        DG  14  22.110  14.358   5.321
  541    H1    DG  14           H1        DG  14  22.379  17.403  -0.350
  542    H21   DG  14           H21       DG  14  23.851  19.884   1.522
  543    H22   DG  14           H22       DG  14  23.256  19.365  -0.059
  544    H5'   DC  15           H5'       DC  15  23.866  20.179   6.863
  545   H5''   DC  15          H5''       DC  15  23.174  21.586   7.671
  546    H4'   DC  15           H4'       DC  15  22.728  21.642   5.284
  547    H3'   DC  15           H3'       DC  15  20.384  21.340   7.113
  548    H2'   DC  15           H2'       DC  15  19.086  20.390   5.549
  549   H2''   DC  15          H2''       DC  15  19.429  21.678   4.375
  550    H1'   DC  15           H1'       DC  15  21.173  20.604   3.400
  551    H41   DC  15           H41       DC  15  18.442  14.610   3.098
  552    H42   DC  15           H42       DC  15  18.486  15.345   1.486
  553    H5    DC  15           H5        DC  15  19.102  15.901   5.096
  554    H6    DC  15           H6        DC  15  20.101  18.058   5.808
  555    H5'   DA  16           H5'       DA  16  20.516  23.794   3.443
  556   H5''   DA  16          H5''       DA  16  19.949  25.453   3.622
  557    H4'   DA  16           H4'       DA  16  19.400  24.766   1.445
  558    H3'   DA  16           H3'       DA  16  17.338  25.518   3.241
  559    H2'   DA  16           H2'       DA  16  16.477  23.380   3.428
  560   H2''   DA  16          H2''       DA  16  15.520  23.875   2.028
  561    H1'   DA  16           H1'       DA  16  17.075  22.930   0.464
  562    H8    DA  16           H8        DA  16  17.161  21.356   3.937
  563    H61   DA  16           H61       DA  16  15.685  16.074   0.910
  564    H62   DA  16           H62       DA  16  16.190  16.698   2.472
  565    H2    DA  16           H2        DA  16  15.479  19.319  -1.934
  566    H5'   DT  17           H5'       DT  17  15.900  24.900  -1.088
  567   H5''   DT  17          H5''       DT  17  14.823  26.191  -1.631
  568    H4'   DT  17           H4'       DT  17  13.967  24.111  -2.413
  569    H3'   DT  17           H3'       DT  17  12.382  25.718  -0.607
  570    H2'   DT  17           H2'       DT  17  12.099  24.048   0.921
  571   H2''   DT  17          H2''       DT  17  10.872  23.413  -0.186
  572    H1'   DT  17           H1'       DT  17  12.441  22.021  -1.334
  573    H3    DT  17           H3        DT  17  12.882  18.221   1.077
  574    H71   DT  17           H71       DT  17  14.517  20.900   4.728
  575    H72   DT  17           H72       DT  17  13.680  22.444   4.415
  576    H73   DT  17           H73       DT  17  12.775  21.029   5.002
  577    H6    DT  17           H6        DT  17  13.326  22.877   2.203
  578    H5'   DA  18           H5'       DA  18  10.412  22.464  -2.896
  579   H5''   DA  18          H5''       DA  18   9.061  23.057  -3.868
  580    H4'   DA  18           H4'       DA  18   8.371  20.957  -3.197
  581    H3'   DA  18           H3'       DA  18   6.966  23.117  -1.812
  582    H2'   DA  18           H2'       DA  18   7.434  22.312   0.245
  583   H2''   DA  18          H2''       DA  18   6.137  21.145  -0.098
  584    H1'   DA  18           H1'       DA  18   7.650  19.509  -0.857
  585    H8    DA  18           H8        DA  18   9.004  21.921   1.811
  586    H61   DA  18           H61       DA  18  10.879  16.516   4.481
  587    H62   DA  18           H62       DA  18  10.767  18.245   4.827
  588    H2    DA  18           H2        DA  18   9.491  15.639   0.556
  589    H5'   DT  19           H5'       DT  19   5.696  18.839  -2.342
  590   H5''   DT  19          H5''       DT  19   4.143  18.803  -3.182
  591    H4'   DT  19           H4'       DT  19   3.903  17.004  -1.706
  592    H3'   DT  19           H3'       DT  19   2.338  19.308  -1.018
  593    H2'   DT  19           H2'       DT  19   3.666  19.876   0.774
  594   H2''   DT  19          H2''       DT  19   2.521  18.793   1.616
  595    H1'   DT  19           H1'       DT  19   3.920  16.845   1.182
  596    H3    DT  19           H3        DT  19   6.909  16.453   4.483
  597    H71   DT  19           H71       DT  19   6.396  21.733   3.210
  598    H72   DT  19           H72       DT  19   6.062  21.261   4.895
  599    H73   DT  19           H73       DT  19   7.707  21.185   4.279
  600    H6    DT  19           H6        DT  19   5.359  20.164   1.846
  601    H5'   DA  20           H5'       DA  20  -1.363  15.481  -0.050
  602   H5''   DA  20          H5''       DA  20  -0.041  16.222   0.829
  603    H4'   DA  20           H4'       DA  20   0.025  13.282   0.075
  604    H3'   DA  20           H3'       DA  20  -1.904  14.461   1.689
  605    H2'   DA  20           H2'       DA  20  -0.472  15.477   3.164
  606   H2''   DA  20          H2''       DA  20  -0.612  13.936   4.026
  607    H1'   DA  20           H1'       DA  20   1.402  13.087   3.192
  608    H8    DA  20           H8        DA  20   1.650  16.865   2.331
  609    H61   DA  20           H61       DA  20   5.226  17.317   7.395
  610    H62   DA  20           H62       DA  20   4.471  18.230   6.093
  611    H2    DA  20           H2        DA  20   3.927  13.190   7.110
  612    H5'   DT  21           H5'       DT  21  -0.249  11.059   4.084
  613   H5''   DT  21          H5''       DT  21  -1.559   9.874   4.103
  614    H4'   DT  21           H4'       DT  21  -0.563   9.607   6.185
  615    H3'   DT  21           H3'       DT  21  -3.176  10.508   6.185
  616    H2'   DT  21           H2'       DT  21  -2.773  12.728   6.710
  617   H2''   DT  21          H2''       DT  21  -2.833  12.092   8.371
  618    H1'   DT  21           H1'       DT  21  -0.552  11.858   8.556
  619    H3    DT  21           H3        DT  21   1.948  15.603   8.903
  620    H71   DT  21           H71       DT  21  -0.202  17.233   4.889
  621    H72   DT  21           H72       DT  21  -1.799  16.434   5.005
  622    H73   DT  21           H73       DT  21  -1.352  17.736   6.129
  623    H6    DT  21           H6        DT  21  -1.649  14.324   5.927
  624    H5'   DG  22           H5'       DG  22  -1.208   9.662  10.305
  625   H5''   DG  22          H5''       DG  22  -2.329   8.817  11.393
  626    H4'   DG  22           H4'       DG  22  -1.151  10.403  12.699
  627    H3'   DG  22           H3'       DG  22  -3.994  10.723  12.414
  628    H2'   DG  22           H2'       DG  22  -3.784  12.780  11.353
  629   H2''   DG  22          H2''       DG  22  -3.688  13.387  13.027
  630    H1'   DG  22           H1'       DG  22  -1.283  13.215  13.039
  631    H8    DG  22           H8        DG  22  -2.898  14.026   9.652
  632    H1    DG  22           H1        DG  22   1.120  18.482  12.024
  633    H21   DG  22           H21       DG  22   1.359  16.246  14.625
  634    H22   DG  22           H22       DG  22   1.797  17.833  13.988
  635    H5'   DC  23           H5'       DC  23  -1.372  12.422  16.000
  636   H5''   DC  23          H5''       DC  23  -2.241  11.914  17.451
  637    H4'   DC  23           H4'       DC  23  -0.918  13.777  18.037
  638    H3'   DC  23           H3'       DC  23  -3.685  13.810  18.413
  639    H2'   DC  23           H2'       DC  23  -4.232  15.334  16.780
  640   H2''   DC  23          H2''       DC  23  -3.820  16.542  17.980
  641    H1'   DC  23           H1'       DC  23  -1.665  16.876  17.187
  642    H41   DC  23           H41       DC  23  -3.769  17.789  10.982
  643    H42   DC  23           H42       DC  23  -2.758  19.157  11.462
  644    H5    DC  23           H5        DC  23  -4.226  15.937  12.502
  645    H6    DC  23           H6        DC  23  -3.687  15.050  14.757
  646    H5'   DG  24           H5'       DG  24  -1.887  17.630  20.285
  647   H5''   DG  24          H5''       DG  24  -2.707  18.120  21.772
  648    H4'   DG  24           H4'       DG  24  -2.578  20.019  20.361
  649    H3'   DG  24           H3'       DG  24  -5.356  18.847  20.436
  650   HO3'   DG  24          H3T        DG  24  -5.697  20.760  21.708
  651    H2'   DG  24           H2'       DG  24  -6.024  20.077  18.682
  652   H2''   DG  24          H2''       DG  24  -5.209  21.549  19.267
  653    H1'   DG  24           H1'       DG  24  -3.284  21.134  18.111
  654    H8    DG  24           H8        DG  24  -5.494  18.213  16.950
  655    H1    DG  24           H1        DG  24  -4.037  22.675  12.513
  656    H21   DG  24           H21       DG  24  -2.380  24.117  15.179
  657    H22   DG  24           H22       DG  24  -2.878  24.277  13.493
  Start of MODEL    5
    1    H    ALA  79           H1       ALA  79  -1.807   5.050   8.670
    2    HA   ALA  79           HA       ALA  79   1.046   5.465   9.314
    3    HB1  ALA  79           HB1      ALA  79  -0.433   3.585   7.407
    4    HB2  ALA  79           HB2      ALA  79   1.337   3.665   7.606
    5    HB3  ALA  79           HB3      ALA  79   0.319   3.118   8.947
    6    H    ARG  80           H        ARG  80   2.394   5.968   7.548
    7    HA   ARG  80           HA       ARG  80   1.741   8.233   5.920
    8    HB2  ARG  80           HB2      ARG  80   4.072   6.298   5.867
    9    HB3  ARG  80           HB3      ARG  80   3.990   7.729   4.843
   10    HG2  ARG  80           HG2      ARG  80   3.638   7.938   7.844
   11    HG3  ARG  80           HG3      ARG  80   5.249   7.902   7.111
   12    HD2  ARG  80           HD2      ARG  80   4.894   9.945   5.944
   13    HD3  ARG  80           HD3      ARG  80   3.156   9.909   6.219
   14    HE   ARG  80           HE       ARG  80   5.237  10.828   8.055
   15   HH11  ARG  80          HH11      ARG  80   1.875   9.679   8.106
   16   HH12  ARG  80          HH12      ARG  80   1.546  10.624   9.531
   17   HH21  ARG  80          HH22      ARG  80   4.550  12.179   9.644
   18   HH22  ARG  80          HH21      ARG  80   2.869  12.208  10.085
   19    H    LYS  81           H        LYS  81  -0.323   7.106   5.173
   20    HA   LYS  81           HA       LYS  81  -0.659   5.259   3.161
   21    HB2  LYS  81           HB2      LYS  81  -2.037   7.881   3.838
   22    HB3  LYS  81           HB3      LYS  81  -2.663   6.810   2.595
   23    HG2  LYS  81           HG2      LYS  81  -3.585   5.395   4.029
   24    HG3  LYS  81           HG3      LYS  81  -2.201   5.359   5.119
   25    HD2  LYS  81           HD2      LYS  81  -4.454   6.148   6.000
   26    HD3  LYS  81           HD3      LYS  81  -3.034   7.137   6.415
   27    HE2  LYS  81           HE2      LYS  81  -3.624   8.766   4.709
   28    HE3  LYS  81           HE3      LYS  81  -4.942   7.725   4.140
   29    HZ1  LYS  81           HZ1      LYS  81  -4.816   8.964   6.870
   30    HZ2  LYS  81           HZ2      LYS  81  -5.738   9.528   5.635
   31    HZ3  LYS  81           HZ3      LYS  81  -6.051   8.059   6.297
   32    H    VAL  82           H        VAL  82  -0.433   5.127   1.205
   33    HA   VAL  82           HA       VAL  82   0.856   7.085  -0.559
   34    HB   VAL  82           HB       VAL  82  -0.490   4.411  -1.115
   35   HG11  VAL  82          HG11      VAL  82  -0.554   5.588  -3.174
   36   HG12  VAL  82          HG12      VAL  82   1.102   6.231  -2.967
   37   HG13  VAL  82          HG13      VAL  82   0.821   4.500  -3.281
   38   HG21  VAL  82          HG21      VAL  82   2.458   5.070  -0.965
   39   HG22  VAL  82          HG22      VAL  82   1.502   4.257   0.318
   40   HG23  VAL  82          HG23      VAL  82   1.718   3.484  -1.257
   41    H    LYS  83           H        LYS  83  -0.133   8.530  -1.861
   42    HA   LYS  83           HA       LYS  83  -3.021   8.203  -2.497
   43    HB2  LYS  83           HB2      LYS  83  -1.325  10.647  -2.042
   44    HB3  LYS  83           HB3      LYS  83  -2.498  10.685  -3.377
   45    HG2  LYS  83           HG2      LYS  83  -4.334  10.106  -1.931
   46    HG3  LYS  83           HG3      LYS  83  -3.249   9.971  -0.524
   47    HD2  LYS  83           HD2      LYS  83  -2.737  12.324  -0.583
   48    HD3  LYS  83           HD3      LYS  83  -3.414  12.495  -2.205
   49    HE2  LYS  83           HE2      LYS  83  -5.007  13.485  -0.773
   50    HE3  LYS  83           HE3      LYS  83  -5.684  11.959  -1.346
   51    HZ1  LYS  83           HZ1      LYS  83  -4.496  12.474   1.361
   52    HZ2  LYS  83           HZ2      LYS  83  -6.072  12.178   1.034
   53    HZ3  LYS  83           HZ3      LYS  83  -4.945  10.993   0.863
   54    H    GLN  84           H        GLN  84  -3.445   7.672  -4.500
   55    HA   GLN  84           HA       GLN  84  -1.298   7.657  -6.522
   56    HB2  GLN  84           HB2      GLN  84  -2.298   5.674  -6.991
   57    HB3  GLN  84           HB3      GLN  84  -3.780   6.070  -6.109
   58    HG2  GLN  84           HG2      GLN  84  -4.580   7.337  -8.026
   59    HG3  GLN  84           HG3      GLN  84  -3.075   6.974  -8.927
   60   HE21  GLN  84          HE22      GLN  84  -2.623   4.489  -9.202
   61   HE22  GLN  84          HE21      GLN  84  -4.052   3.500  -9.459
   62    H    TYR  85           H        TYR  85  -1.547   9.003  -8.247
   63    HA   TYR  85           HA       TYR  85  -3.856  10.914  -8.274
   64    HB2  TYR  85           HB2      TYR  85  -0.952  11.633  -8.857
   65    HB3  TYR  85           HB3      TYR  85  -2.332  12.708  -8.943
   66    HD1  TYR  85           HD2      TYR  85  -3.493  13.467  -6.915
   67    HD2  TYR  85           HD1      TYR  85   0.139  11.171  -6.725
   68    HE1  TYR  85           HE2      TYR  85  -3.112  14.292  -4.581
   69    HE2  TYR  85           HE1      TYR  85   0.530  11.958  -4.405
   70    HH   TYR  85           HH       TYR  85  -0.209  13.401  -2.712
   71    H    LYS  86           H        LYS  86  -4.722  11.187 -10.326
   72    HA   LYS  86           HA       LYS  86  -3.277  10.021 -12.677
   73    HB2  LYS  86           HB2      LYS  86  -4.894   8.377 -11.977
   74    HB3  LYS  86           HB3      LYS  86  -6.173   9.594 -11.828
   75    HG2  LYS  86           HG2      LYS  86  -6.285   9.933 -14.215
   76    HG3  LYS  86           HG3      LYS  86  -4.801   9.008 -14.485
   77    HD2  LYS  86           HD2      LYS  86  -5.936   6.961 -13.592
   78    HD3  LYS  86           HD3      LYS  86  -7.444   7.901 -13.441
   79    HE2  LYS  86           HE2      LYS  86  -7.329   8.395 -15.905
   80    HE3  LYS  86           HE3      LYS  86  -5.866   7.399 -16.015
   81    HZ1  LYS  86           HZ1      LYS  86  -7.849   6.124 -16.637
   82    HZ2  LYS  86           HZ2      LYS  86  -7.210   5.471 -15.287
   83    HZ3  LYS  86           HZ3      LYS  86  -8.558   6.396 -15.199
   84    H    ASN  87           H        ASN  87  -3.197  11.325 -14.393
   85    HA   ASN  87           HA       ASN  87  -4.423  13.994 -14.079
   86    HB2  ASN  87           HB2      ASN  87  -2.046  13.730 -14.356
   87    HB3  ASN  87           HB3      ASN  87  -2.260  12.982 -15.935
   88   HD21  ASN  87          HD22      ASN  87  -0.812  15.462 -15.188
   89   HD22  ASN  87          HD21      ASN  87  -1.643  16.753 -16.056
   90    HA   PRO  88           HA       PRO  88  -7.486  12.608 -17.164
   91    HB2  PRO  88           HB2      PRO  88  -9.142  14.819 -17.060
   92    HB3  PRO  88           HB3      PRO  88  -9.156  13.474 -15.881
   93    HG2  PRO  88           HG2      PRO  88  -7.763  16.152 -15.641
   94    HG3  PRO  88           HG3      PRO  88  -8.755  15.297 -14.407
   95    HD2  PRO  88           HD2      PRO  88  -6.055  15.209 -14.392
   96    HD3  PRO  88           HD3      PRO  88  -7.033  13.774 -13.939
   97    H    HIS  89           H        HIS  89  -5.353  15.356 -17.375
   98    HA   HIS  89           HA       HIS  89  -6.124  16.022 -20.153
   99    HB2  HIS  89           HB2      HIS  89  -3.887  17.144 -18.424
  100    HB3  HIS  89           HB3      HIS  89  -4.461  17.794 -19.948
  101    HD1  HIS  89           HD1      HIS  89  -7.062  18.817 -19.882
  102    HD2  HIS  89           HD2      HIS  89  -5.154  17.896 -16.228
  103    HE1  HIS  89           HE1      HIS  89  -8.412  20.010 -18.044
  104    HE2  HIS  89           HE2      HIS  89  -7.239  19.462 -15.821
  105    H    THR  90           H        THR  90  -3.787  13.938 -18.617
  106    HA   THR  90           HA       THR  90  -2.377  13.558 -21.248
  107    HB   THR  90           HB       THR  90  -0.338  13.151 -20.038
  108    HG1  THR  90           HG1      THR  90  -0.337  13.326 -17.759
  109   HG21  THR  90          HG21      THR  90  -1.640  15.577 -18.738
  110   HG22  THR  90          HG22      THR  90   0.101  15.270 -18.941
  111   HG23  THR  90          HG23      THR  90  -0.919  15.579 -20.365
  112    H    GLY  91           H        GLY  91  -3.951  11.884 -18.587
  113    HA2  GLY  91           HA2      GLY  91  -4.571   9.665 -18.426
  114    HA3  GLY  91           HA3      GLY  91  -3.706   9.282 -19.916
  115    H    GLU  92           H        GLU  92  -1.676  10.999 -17.660
  116    HA   GLU  92           HA       GLU  92  -0.148   8.602 -17.056
  117    HB2  GLU  92           HB2      GLU  92   0.248  11.558 -16.593
  118    HB3  GLU  92           HB3      GLU  92   1.222  10.372 -15.726
  119    HG2  GLU  92           HG2      GLU  92   1.001  10.219 -18.712
  120    HG3  GLU  92           HG3      GLU  92   2.128  11.344 -17.915
  121    H    VAL  93           H        VAL  93   0.324   8.010 -15.031
  122    HA   VAL  93           HA       VAL  93  -1.342   8.861 -12.717
  123    HB   VAL  93           HB       VAL  93  -0.608   6.049 -13.443
  124   HG11  VAL  93          HG11      VAL  93  -1.039   6.234 -11.003
  125   HG12  VAL  93          HG12      VAL  93  -2.548   7.118 -11.315
  126   HG13  VAL  93          HG13      VAL  93  -2.391   5.412 -11.760
  127   HG21  VAL  93          HG21      VAL  93  -3.076   5.745 -13.971
  128   HG22  VAL  93          HG22      VAL  93  -3.246   7.516 -13.844
  129   HG23  VAL  93          HG23      VAL  93  -2.221   6.801 -15.097
  130    H    ILE  94           H        ILE  94  -0.445   8.464 -10.745
  131    HA   ILE  94           HA       ILE  94   2.368   7.676 -10.388
  132    HB   ILE  94           HB       ILE  94   1.865   9.933  -8.667
  133   HG12  ILE  94          HG12      ILE  94   1.859  10.835 -11.569
  134   HG13  ILE  94          HG13      ILE  94   0.448  10.841 -10.502
  135   HG21  ILE  94          HG21      ILE  94   3.978   9.690 -10.819
  136   HG22  ILE  94          HG22      ILE  94   4.054  10.616  -9.296
  137   HG23  ILE  94          HG23      ILE  94   4.059   8.867  -9.240
  138   HD11  ILE  94          HD11      ILE  94   2.989  12.432 -10.101
  139   HD12  ILE  94          HD12      ILE  94   1.368  13.045 -10.467
  140   HD13  ILE  94          HD13      ILE  94   1.695  12.269  -8.894
  141    H    GLU  95           H        GLU  95   2.864   7.565  -8.092
  142    HA   GLU  95           HA       GLU  95   0.713   7.349  -6.094
  143    HB2  GLU  95           HB2      GLU  95   2.481   5.104  -7.078
  144    HB3  GLU  95           HB3      GLU  95   1.921   5.129  -5.384
  145    HG2  GLU  95           HG2      GLU  95  -0.381   5.115  -6.050
  146    HG3  GLU  95           HG3      GLU  95   0.051   5.247  -7.764
  147    H    THR  96           H        THR  96   1.445   8.509  -4.403
  148    HA   THR  96           HA       THR  96   4.264   8.244  -3.500
  149    HB   THR  96           HB       THR  96   4.972  10.313  -3.884
  150    HG1  THR  96           HG1      THR  96   3.780  12.160  -3.520
  151   HG21  THR  96          HG21      THR  96   2.535  10.676  -5.687
  152   HG22  THR  96          HG22      THR  96   4.042  11.618  -5.749
  153   HG23  THR  96          HG23      THR  96   4.070   9.914  -6.189
  154    H    LYS  97           H        LYS  97   4.563   8.780  -1.250
  155    HA   LYS  97           HA       LYS  97   2.033   8.848   0.340
  156    HB2  LYS  97           HB2      LYS  97   4.878   8.644   1.284
  157    HB3  LYS  97           HB3      LYS  97   3.440   8.299   2.231
  158    HG2  LYS  97           HG2      LYS  97   2.978   6.290   0.979
  159    HG3  LYS  97           HG3      LYS  97   4.204   6.667  -0.230
  160    HD2  LYS  97           HD2      LYS  97   5.915   6.586   1.728
  161    HD3  LYS  97           HD3      LYS  97   4.633   5.800   2.639
  162    HE2  LYS  97           HE2      LYS  97   5.996   4.081   1.724
  163    HE3  LYS  97           HE3      LYS  97   4.496   4.063   0.787
  164    HZ1  LYS  97           HZ1      LYS  97   7.039   5.400  -0.085
  165    HZ2  LYS  97           HZ2      LYS  97   6.520   3.938  -0.628
  166    HZ3  LYS  97           HZ3      LYS  97   5.686   5.310  -0.974
  167    H    GLY  98           H        GLY  98   3.568  11.164  -1.163
  168    HA2  GLY  98           HA2      GLY  98   2.900  13.494  -0.452
  169    HA3  GLY  98           HA3      GLY  98   3.768  13.151   1.047
  170    H    GLY  99           H        GLY  99   4.884  15.088   0.435
  171    HA2  GLY  99           HA2      GLY  99   6.881  16.029   0.117
  172    HA3  GLY  99           HA3      GLY  99   7.499  14.467  -0.382
  173    H    ASN 100           H        ASN 100   8.577  16.647  -1.315
  174    HA   ASN 100           HA       ASN 100   7.970  17.569  -3.923
  175    HB2  ASN 100           HB2      ASN 100   9.618  18.683  -2.621
  176    HB3  ASN 100           HB3      ASN 100  10.392  17.188  -2.163
  177   HD21  ASN 100          HD22      ASN 100  12.253  18.562  -2.595
  178   HD22  ASN 100          HD21      ASN 100  12.998  18.183  -4.131
  179    H    HIS 101           H        HIS 101   7.240  16.048  -5.342
  180    HA   HIS 101           HA       HIS 101   9.142  13.928  -6.237
  181    HB2  HIS 101           HB2      HIS 101   7.221  13.045  -4.834
  182    HB3  HIS 101           HB3      HIS 101   6.108  13.634  -6.062
  183    HD1  HIS 101           HD1      HIS 101   9.022  11.039  -5.670
  184    HD2  HIS 101           HD2      HIS 101   5.746  12.045  -8.170
  185    HE1  HIS 101           HE1      HIS 101   8.778   9.130  -7.353
  186    HE2  HIS 101           HE2      HIS 101   6.807   9.735  -8.885
  187    H    LYS 102           H        LYS 102   9.607  14.021  -8.377
  188    HA   LYS 102           HA       LYS 102   9.301  16.315  -9.817
  189    HB2  LYS 102           HB2      LYS 102  10.893  14.370 -10.217
  190    HB3  LYS 102           HB3      LYS 102   9.624  13.625 -11.169
  191    HG2  LYS 102           HG2      LYS 102  10.937  14.773 -12.758
  192    HG3  LYS 102           HG3      LYS 102   9.525  15.794 -12.528
  193    HD2  LYS 102           HD2      LYS 102  11.522  17.163 -12.682
  194    HD3  LYS 102           HD3      LYS 102  10.795  17.331 -11.101
  195    HE2  LYS 102           HE2      LYS 102  13.177  17.236 -10.818
  196    HE3  LYS 102           HE3      LYS 102  12.504  15.756 -10.150
  197    HZ1  LYS 102           HZ1      LYS 102  14.443  15.279 -11.483
  198    HZ2  LYS 102           HZ2      LYS 102  13.166  14.624 -12.261
  199    HZ3  LYS 102           HZ3      LYS 102  13.834  16.022 -12.812
  200    H    THR 103           H        THR 103   7.415  13.494 -11.060
  201    HA   THR 103           HA       THR 103   5.937  15.045 -12.876
  202    HB   THR 103           HB       THR 103   4.943  12.501 -11.547
  203    HG1  THR 103           HG1      THR 103   6.017  11.514 -13.312
  204   HG21  THR 103          HG21      THR 103   3.878  12.253 -13.896
  205   HG22  THR 103          HG22      THR 103   3.193  13.494 -12.844
  206   HG23  THR 103          HG23      THR 103   4.312  13.974 -14.130
  207    H    LEU 104           H        LEU 104   5.073  14.255  -9.518
  208    HA   LEU 104           HA       LEU 104   2.456  15.371  -9.505
  209    HB2  LEU 104           HB2      LEU 104   3.417  13.799  -7.822
  210    HB3  LEU 104           HB3      LEU 104   4.524  15.059  -7.276
  211    HG   LEU 104           HG       LEU 104   2.658  16.386  -6.416
  212   HD11  LEU 104          HD11      LEU 104   0.900  14.076  -7.371
  213   HD12  LEU 104          HD12      LEU 104   0.369  15.401  -6.321
  214   HD13  LEU 104          HD13      LEU 104   0.864  15.741  -7.986
  215   HD21  LEU 104          HD21      LEU 104   2.511  13.477  -5.522
  216   HD22  LEU 104          HD22      LEU 104   3.713  14.678  -4.971
  217   HD23  LEU 104          HD23      LEU 104   2.000  14.890  -4.588
  218    H    LYS 105           H        LYS 105   5.654  16.875  -8.990
  219    HA   LYS 105           HA       LYS 105   4.572  19.507  -8.326
  220    HB2  LYS 105           HB2      LYS 105   7.329  18.504  -9.142
  221    HB3  LYS 105           HB3      LYS 105   7.008  20.205  -8.897
  222    HG2  LYS 105           HG2      LYS 105   6.697  18.022  -6.787
  223    HG3  LYS 105           HG3      LYS 105   8.028  19.163  -6.922
  224    HD2  LYS 105           HD2      LYS 105   5.153  19.769  -6.140
  225    HD3  LYS 105           HD3      LYS 105   6.595  19.904  -5.151
  226    HE2  LYS 105           HE2      LYS 105   7.448  21.720  -6.694
  227    HE3  LYS 105           HE3      LYS 105   5.920  21.625  -7.581
  228    HZ1  LYS 105           HZ1      LYS 105   6.255  22.435  -4.733
  229    HZ2  LYS 105           HZ2      LYS 105   5.721  23.384  -5.961
  230    HZ3  LYS 105           HZ3      LYS 105   4.800  22.137  -5.373
  231    H    GLU 106           H        GLU 106   5.381  17.930 -11.425
  232    HA   GLU 106           HA       GLU 106   5.253  20.401 -12.906
  233    HB2  GLU 106           HB2      GLU 106   4.547  17.663 -13.986
  234    HB3  GLU 106           HB3      GLU 106   5.105  19.097 -14.886
  235    HG2  GLU 106           HG2      GLU 106   7.264  18.845 -13.462
  236    HG3  GLU 106           HG3      GLU 106   6.567  17.265 -13.043
  237    H    TRP 107           H        TRP 107   2.950  17.825 -12.175
  238    HA   TRP 107           HA       TRP 107   0.729  18.947 -13.565
  239    HB2  TRP 107           HB2      TRP 107   0.702  17.266 -11.038
  240    HB3  TRP 107           HB3      TRP 107  -0.697  17.622 -12.057
  241    HD1  TRP 107           HD1      TRP 107   2.084  16.851 -14.362
  242    HE1  TRP 107           HE1      TRP 107   1.959  14.416 -15.149
  243    HE3  TRP 107           HE3      TRP 107  -1.381  15.072 -11.027
  244    HZ2  TRP 107           HZ2      TRP 107   0.783  11.974 -14.265
  245    HZ3  TRP 107           HZ3      TRP 107  -2.063  12.687 -11.121
  246    HH2  TRP 107           HH2      TRP 107  -0.946  11.120 -12.685
  247    H    LYS 108           H        LYS 108   1.841  19.648 -10.244
  248    HA   LYS 108           HA       LYS 108  -0.314  21.494  -9.613
  249    HB2  LYS 108           HB2      LYS 108   2.546  21.305  -8.565
  250    HB3  LYS 108           HB3      LYS 108   1.331  22.431  -7.945
  251    HG2  LYS 108           HG2      LYS 108  -0.171  20.493  -7.438
  252    HG3  LYS 108           HG3      LYS 108   1.121  19.392  -7.910
  253    HD2  LYS 108           HD2      LYS 108   2.626  20.524  -6.226
  254    HD3  LYS 108           HD3      LYS 108   1.227  21.483  -5.691
  255    HE2  LYS 108           HE2      LYS 108   0.011  19.269  -5.255
  256    HE3  LYS 108           HE3      LYS 108   1.516  18.436  -5.664
  257    HZ1  LYS 108           HZ1      LYS 108   1.571  18.634  -3.368
  258    HZ2  LYS 108           HZ2      LYS 108   2.545  19.901  -3.848
  259    HZ3  LYS 108           HZ3      LYS 108   1.020  20.194  -3.336
  260    H    ALA 109           H        ALA 109   2.792  21.915 -11.353
  261    HA   ALA 109           HA       ALA 109   2.668  24.769 -11.462
  262    HB1  ALA 109           HB1      ALA 109   4.399  24.524 -13.168
  263    HB2  ALA 109           HB2      ALA 109   4.710  23.323 -11.885
  264    HB3  ALA 109           HB3      ALA 109   3.983  22.838 -13.437
  265    H    LYS 110           H        LYS 110   1.840  22.186 -13.756
  266    HA   LYS 110           HA       LYS 110   1.050  23.804 -15.805
  267    HB2  LYS 110           HB2      LYS 110   0.809  20.866 -15.224
  268    HB3  LYS 110           HB3      LYS 110   0.139  21.529 -16.731
  269    HG2  LYS 110           HG2      LYS 110   2.354  22.437 -17.344
  270    HG3  LYS 110           HG3      LYS 110   3.036  21.850 -15.826
  271    HD2  LYS 110           HD2      LYS 110   3.692  20.250 -17.442
  272    HD3  LYS 110           HD3      LYS 110   2.380  19.504 -16.533
  273    HE2  LYS 110           HE2      LYS 110   1.871  18.980 -18.775
  274    HE3  LYS 110           HE3      LYS 110   0.797  20.339 -18.390
  275    HZ1  LYS 110           HZ1      LYS 110   3.374  20.565 -19.884
  276    HZ2  LYS 110           HZ2      LYS 110   1.894  20.614 -20.558
  277    HZ3  LYS 110           HZ3      LYS 110   2.367  21.814 -19.563
  278    H    TRP 111           H        TRP 111  -0.954  22.243 -13.357
  279    HA   TRP 111           HA       TRP 111  -3.404  23.589 -14.473
  280    HB2  TRP 111           HB2      TRP 111  -3.243  20.782 -13.347
  281    HB3  TRP 111           HB3      TRP 111  -4.708  21.608 -13.865
  282    HD1  TRP 111           HD1      TRP 111  -4.980  22.082 -16.527
  283    HE1  TRP 111           HE1      TRP 111  -4.054  20.859 -18.586
  284    HE3  TRP 111           HE3      TRP 111  -1.290  19.410 -14.260
  285    HZ2  TRP 111           HZ2      TRP 111  -1.929  18.980 -19.178
  286    HZ3  TRP 111           HZ3      TRP 111   0.272  17.995 -15.613
  287    HH2  TRP 111           HH2      TRP 111  -0.081  17.715 -18.039
  288    H    GLY 112           H        GLY 112  -2.137  22.056 -11.441
  289    HA2  GLY 112           HA2      GLY 112  -1.984  24.014  -9.731
  290    HA3  GLY 112           HA3      GLY 112  -3.730  24.045  -9.846
  291    HA   PRO 113           HA       PRO 113  -2.154  20.775  -6.699
  292    HB2  PRO 113           HB2      PRO 113  -2.504  22.180  -4.320
  293    HB3  PRO 113           HB3      PRO 113  -0.960  21.983  -5.190
  294    HG2  PRO 113           HG2      PRO 113  -2.865  24.315  -5.279
  295    HG3  PRO 113           HG3      PRO 113  -1.066  24.327  -5.199
  296    HD2  PRO 113           HD2      PRO 113  -2.428  24.749  -7.517
  297    HD3  PRO 113           HD3      PRO 113  -0.878  23.849  -7.487
  298    H    GLU 114           H        GLU 114  -4.846  23.137  -6.560
  299    HA   GLU 114           HA       GLU 114  -6.655  21.612  -4.981
  300    HB2  GLU 114           HB2      GLU 114  -7.417  23.341  -7.347
  301    HB3  GLU 114           HB3      GLU 114  -8.336  22.983  -5.853
  302    HG2  GLU 114           HG2      GLU 114  -6.518  24.258  -4.593
  303    HG3  GLU 114           HG3      GLU 114  -5.859  24.700  -6.184
  304    H    ALA 115           H        ALA 115  -6.115  21.779  -8.425
  305    HA   ALA 115           HA       ALA 115  -8.041  19.904  -9.340
  306    HB1  ALA 115           HB1      ALA 115  -6.662  21.612 -10.674
  307    HB2  ALA 115           HB2      ALA 115  -5.322  20.416 -10.629
  308    HB3  ALA 115           HB3      ALA 115  -6.852  20.001 -11.410
  309    H    VAL 116           H        VAL 116  -4.545  19.569  -8.827
  310    HA   VAL 116           HA       VAL 116  -4.263  16.931  -9.373
  311    HB   VAL 116           HB       VAL 116  -2.702  18.867  -7.678
  312   HG11  VAL 116          HG11      VAL 116  -2.034  16.687  -6.768
  313   HG12  VAL 116          HG12      VAL 116  -1.718  16.090  -8.411
  314   HG13  VAL 116          HG13      VAL 116  -0.748  17.420  -7.717
  315   HG21  VAL 116          HG21      VAL 116  -2.919  19.130 -10.194
  316   HG22  VAL 116          HG22      VAL 116  -1.248  18.916  -9.623
  317   HG23  VAL 116          HG23      VAL 116  -2.139  17.558 -10.359
  318    H    GLU 117           H        GLU 117  -4.846  18.347  -6.121
  319    HA   GLU 117           HA       GLU 117  -4.837  15.808  -4.715
  320    HB2  GLU 117           HB2      GLU 117  -6.053  18.530  -4.050
  321    HB3  GLU 117           HB3      GLU 117  -6.083  17.144  -2.965
  322    HG2  GLU 117           HG2      GLU 117  -3.624  17.072  -2.920
  323    HG3  GLU 117           HG3      GLU 117  -3.538  18.458  -4.007
  324    H    SER 118           H        SER 118  -7.376  17.657  -6.416
  325    HA   SER 118           HA       SER 118  -9.605  16.112  -5.405
  326    HB2  SER 118           HB2      SER 118  -9.820  18.382  -6.397
  327    HB3  SER 118           HB3      SER 118  -9.426  17.700  -7.995
  328    HG   SER 118           HG       SER 118 -11.711  17.868  -7.599
  329    H    TRP 119           H        TRP 119  -7.418  15.737  -8.172
  330    HA   TRP 119           HA       TRP 119  -8.786  13.497  -9.369
  331    HB2  TRP 119           HB2      TRP 119  -5.830  14.130  -9.516
  332    HB3  TRP 119           HB3      TRP 119  -6.792  13.181 -10.631
  333    HD1  TRP 119           HD1      TRP 119  -9.102  15.642 -10.777
  334    HE1  TRP 119           HE1      TRP 119  -8.574  17.610 -12.334
  335    HE3  TRP 119           HE3      TRP 119  -4.068  14.898 -11.334
  336    HZ2  TRP 119           HZ2      TRP 119  -6.250  18.739 -13.630
  337    HZ3  TRP 119           HZ3      TRP 119  -2.727  16.412 -12.787
  338    HH2  TRP 119           HH2      TRP 119  -3.799  18.334 -13.919
  339    H    ALA 120           H        ALA 120  -7.015  13.601  -6.374
  340    HA   ALA 120           HA       ALA 120  -5.557  11.219  -6.705
  341    HB1  ALA 120           HB1      ALA 120  -6.318  12.362  -4.012
  342    HB2  ALA 120           HB2      ALA 120  -4.848  11.483  -4.495
  343    HB3  ALA 120           HB3      ALA 120  -5.124  13.151  -5.069
  344    H    THR 121           H        THR 121  -5.571   9.583  -5.258
  345    HA   THR 121           HA       THR 121  -8.111   8.139  -4.478
  346    HB   THR 121           HB       THR 121  -5.789   7.101  -6.117
  347    HG1  THR 121           HG1      THR 121  -7.395   6.886  -7.772
  348   HG21  THR 121          HG21      THR 121  -8.388   5.895  -5.089
  349   HG22  THR 121          HG22      THR 121  -7.433   5.108  -6.381
  350   HG23  THR 121          HG23      THR 121  -6.734   5.305  -4.768
  351    H    LEU 122           H        LEU 122  -7.846   6.925  -2.658
  352    HA   LEU 122           HA       LEU 122  -5.285   7.266  -1.172
  353    HB2  LEU 122           HB2      LEU 122  -7.224   8.140  -0.070
  354    HB3  LEU 122           HB3      LEU 122  -8.159   6.683  -0.393
  355    HG   LEU 122           HG       LEU 122  -6.740   5.386   1.152
  356   HD11  LEU 122          HD11      LEU 122  -5.357   8.013   1.838
  357   HD12  LEU 122          HD12      LEU 122  -5.145   6.437   2.652
  358   HD13  LEU 122          HD13      LEU 122  -4.600   6.652   0.988
  359   HD21  LEU 122          HD21      LEU 122  -8.757   6.506   2.019
  360   HD22  LEU 122          HD22      LEU 122  -7.485   6.410   3.256
  361   HD23  LEU 122          HD23      LEU 122  -7.797   7.948   2.415
  362    H    LEU 123           H        LEU 123  -3.944   5.612  -0.982
  363    HA   LEU 123           HA       LEU 123  -4.865   2.801  -1.370
  364    HB2  LEU 123           HB2      LEU 123  -2.309   4.190  -2.276
  365    HB3  LEU 123           HB3      LEU 123  -2.651   2.465  -2.443
  366    HG   LEU 123           HG       LEU 123  -4.184   4.765  -3.743
  367   HD11  LEU 123          HD11      LEU 123  -2.241   2.689  -4.835
  368   HD12  LEU 123          HD12      LEU 123  -3.194   3.807  -5.830
  369   HD13  LEU 123          HD13      LEU 123  -1.985   4.437  -4.690
  370   HD21  LEU 123          HD21      LEU 123  -4.482   1.735  -4.112
  371   HD22  LEU 123          HD22      LEU 123  -5.686   2.794  -3.362
  372   HD23  LEU 123          HD23      LEU 123  -5.310   2.988  -5.075
  373    H    GLY 124           H        GLY 124  -4.732   1.679   0.334
  374    HA2  GLY 124           HA2      GLY 124  -3.224   2.480   2.688
  375    HA3  GLY 124           HA3      GLY 124  -4.283   1.074   2.535
  376    H    HIS 125           H        HIS 125  -2.342   0.484   0.046
  377    HA   HIS 125           HA       HIS 125   0.146  -0.342   1.330
  378    HB2  HIS 125           HB2      HIS 125  -0.107  -2.721   0.696
  379    HB3  HIS 125           HB3      HIS 125  -1.218  -2.231   1.964
  380    HD1  HIS 125           HD1      HIS 125  -3.757  -2.732   1.498
  381    HD2  HIS 125           HD2      HIS 125  -1.236  -2.989  -1.881
  382    HE1  HIS 125           HE1      HIS 125  -5.200  -3.686  -0.415
  383    HE2  HIS 125           HE2      HIS 125  -3.650  -3.848  -2.469
  384    H5'   DC   1           H5'       DC   1  -5.229  28.764   7.701
  385   H5''   DC   1          H5''       DC   1  -3.910  29.632   6.928
  386    H4'   DC   1           H4'       DC   1  -3.543  29.619   9.289
  387    H3'   DC   1           H3'       DC   1  -1.679  28.587   7.470
  388    H2'   DC   1           H2'       DC   1  -1.676  26.421   8.064
  389   H2''   DC   1          H2''       DC   1  -0.681  26.900   9.428
  390    H1'   DC   1           H1'       DC   1  -2.407  26.999  10.935
  391    H41   DC   1           H41       DC   1  -5.019  21.197   9.099
  392    H42   DC   1           H42       DC   1  -4.851  21.215  10.862
  393    H5    DC   1           H5        DC   1  -4.326  23.122   7.714
  394    H6    DC   1           H6        DC   1  -3.456  25.379   7.831
  395   HO5'   DC   1          H5T        DC   1  -4.472  27.683   5.771
  396    H5'   DG   2           H5'       DG   2  -0.215  29.039  12.000
  397   H5''   DG   2          H5''       DG   2   1.335  29.887  11.982
  398    H4'   DG   2           H4'       DG   2   1.474  28.362  13.748
  399    H3'   DG   2           H3'       DG   2   3.290  28.111  11.611
  400    H2'   DG   2           H2'       DG   2   2.351  26.152  10.781
  401   H2''   DG   2          H2''       DG   2   3.483  25.406  11.921
  402    H1'   DG   2           H1'       DG   2   1.825  25.244  13.645
  403    H8    DG   2           H8        DG   2   0.497  25.218  10.054
  404    H1    DG   2           H1        DG   2  -1.177  20.111  13.609
  405    H21   DG   2           H21       DG   2   0.651  21.725  16.033
  406    H22   DG   2           H22       DG   2  -0.292  20.299  15.582
  407    H5'   DC   3           H5'       DC   3   4.021  25.706  15.625
  408   H5''   DC   3          H5''       DC   3   5.728  25.758  16.051
  409    H4'   DC   3           H4'       DC   3   4.776  23.675  16.782
  410    H3'   DC   3           H3'       DC   3   6.943  23.706  14.829
  411    H2'   DC   3           H2'       DC   3   6.151  22.129  13.435
  412   H2''   DC   3          H2''       DC   3   6.199  20.944  14.751
  413    H1'   DC   3           H1'       DC   3   4.002  21.147  15.280
  414    H41   DC   3           H41       DC   3   1.669  21.488   9.089
  415    H42   DC   3           H42       DC   3   1.119  19.999   9.869
  416    H5    DC   3           H5        DC   3   3.257  22.996  10.215
  417    H6    DC   3           H6        DC   3   4.396  23.394  12.394
  418    H5'   DA   4           H5'       DA   4   6.404  19.955  17.296
  419   H5''   DA   4          H5''       DA   4   7.903  19.318  17.978
  420    H4'   DA   4           H4'       DA   4   6.625  17.482  17.235
  421    H3'   DA   4           H3'       DA   4   9.179  17.967  16.019
  422    H2'   DA   4           H2'       DA   4   8.319  18.259  13.906
  423   H2''   DA   4          H2''       DA   4   8.357  16.503  13.833
  424    H1'   DA   4           H1'       DA   4   6.082  16.285  14.583
  425    H8    DA   4           H8        DA   4   6.891  19.615  12.896
  426    H61   DA   4           H61       DA   4   2.667  17.777   8.653
  427    H62   DA   4           H62       DA   4   3.694  19.120   9.131
  428    H2    DA   4           H2        DA   4   3.138  14.574  11.542
  429    H5'   DT   5           H5'       DT   5   7.203  13.793  15.436
  430   H5''   DT   5          H5''       DT   5   8.379  12.544  15.853
  431    H4'   DT   5           H4'       DT   5   7.057  11.684  14.102
  432    H3'   DT   5           H3'       DT   5   9.863  11.990  13.729
  433    H2'   DT   5           H2'       DT   5   9.698  13.551  12.050
  434   H2''   DT   5          H2''       DT   5   9.471  12.141  11.009
  435    H1'   DT   5           H1'       DT   5   7.101  12.232  11.135
  436    H3    DT   5           H3        DT   5   5.581  15.352   8.257
  437    H71   DT   5           H71       DT   5   9.434  17.965   9.593
  438    H72   DT   5           H72       DT   5   8.197  18.667  10.643
  439    H73   DT   5           H73       DT   5   9.478  17.634  11.337
  440    H6    DT   5           H6        DT   5   8.877  15.481  11.788
  441    H5'   DA   6           H5'       DA   6   7.189   9.223  11.022
  442   H5''   DA   6          H5''       DA   6   8.030   7.678  10.856
  443    H4'   DA   6           H4'       DA   6   6.687   7.964   8.953
  444    H3'   DA   6           H3'       DA   6   9.439   7.563   8.650
  445    H2'   DA   6           H2'       DA   6   9.979   9.692   8.056
  446   H2''   DA   6          H2''       DA   6   9.588   9.140   6.430
  447    H1'   DA   6           H1'       DA   6   7.423  10.044   6.465
  448    H8    DA   6           H8        DA   6   9.934  11.650   8.895
  449    H61   DA   6           H61       DA   6   8.271  16.942   5.986
  450    H62   DA   6           H62       DA   6   9.423  16.272   7.142
  451    H2    DA   6           H2        DA   6   5.825  13.736   4.412
  452    H5'   DT   7           H5'       DT   7   6.685   7.800   5.144
  453   H5''   DT   7          H5''       DT   7   6.925   6.646   3.833
  454    H4'   DT   7           H4'       DT   7   6.195   8.828   3.016
  455    H3'   DT   7           H3'       DT   7   8.537   7.510   2.015
  456    H2'   DT   7           H2'       DT   7   9.953   9.226   2.713
  457   H2''   DT   7          H2''       DT   7   9.443   9.979   1.186
  458    H1'   DT   7           H1'       DT   7   7.566  11.091   2.251
  459    H3    DT   7           H3        DT   7   9.753  14.911   3.285
  460    H71   DT   7           H71       DT   7  12.049  10.842   6.099
  461    H72   DT   7           H72       DT   7  13.051  12.177   5.478
  462    H73   DT   7           H73       DT   7  11.952  12.457   6.829
  463    H6    DT   7           H6        DT   7  10.306  10.315   4.624
  464    H5'   DA   8           H5'       DA   8   7.360  10.705  -1.387
  465   H5''   DA   8          H5''       DA   8   7.504   9.774  -2.875
  466    H4'   DA   8           H4'       DA   8   8.678  11.739  -3.301
  467    H3'   DA   8           H3'       DA   8  10.418   9.393  -2.942
  468    H2'   DA   8           H2'       DA   8  11.816  10.419  -1.502
  469   H2''   DA   8          H2''       DA   8  12.377  11.371  -2.903
  470    H1'   DA   8           H1'       DA   8  10.934  13.155  -2.467
  471    H8    DA   8           H8        DA   8  11.467  11.037   0.808
  472    H61   DA   8           H61       DA   8  13.297  16.654   2.986
  473    H62   DA   8           H62       DA   8  13.012  15.012   3.551
  474    H2    DA   8           H2        DA   8  12.216  17.137  -1.060
  475    H5'   DT   9           H5'       DT   9  11.008  12.857  -5.974
  476   H5''   DT   9          H5''       DT   9  11.694  12.198  -7.465
  477    H4'   DT   9           H4'       DT   9  12.299  14.504  -7.308
  478    H3'   DT   9           H3'       DT   9  14.273  12.487  -7.460
  479    H2'   DT   9           H2'       DT   9  15.223  12.807  -5.442
  480   H2''   DT   9          H2''       DT   9  16.047  14.179  -6.170
  481    H1'   DT   9           H1'       DT   9  14.502  15.760  -5.428
  482    H3    DT   9           H3        DT   9  15.371  16.451  -1.050
  483    H71   DT   9           H71       DT   9  14.281  11.835  -0.210
  484    H72   DT   9           H72       DT   9  14.585  11.097  -1.800
  485    H73   DT   9           H73       DT   9  15.935  11.644  -0.781
  486    H6    DT   9           H6        DT   9  14.231  12.514  -3.607
  487    H5'   DG  10           H5'       DG  10  15.049  16.994  -7.955
  488   H5''   DG  10          H5''       DG  10  15.955  17.248  -9.449
  489    H4'   DG  10           H4'       DG  10  16.441  19.066  -8.023
  490    H3'   DG  10           H3'       DG  10  18.493  17.475  -9.043
  491    H2'   DG  10           H2'       DG  10  18.910  16.341  -7.056
  492   H2''   DG  10          H2''       DG  10  20.033  17.682  -6.800
  493    H1'   DG  10           H1'       DG  10  18.475  18.922  -5.508
  494    H8    DG  10           H8        DG  10  17.909  15.140  -5.528
  495    H1    DG  10           H1        DG  10  19.035  17.689   0.275
  496    H21   DG  10           H21       DG  10  19.359  20.596  -1.529
  497    H22   DG  10           H22       DG  10  19.510  19.785   0.033
  498    H5'   DC  11           H5'       DC  11  19.582  21.493  -6.730
  499   H5''   DC  11          H5''       DC  11  20.659  22.376  -7.811
  500    H4'   DC  11           H4'       DC  11  21.117  23.058  -5.586
  501    H3'   DC  11           H3'       DC  11  23.132  22.079  -7.239
  502    H2'   DC  11           H2'       DC  11  23.447  20.038  -6.211
  503   H2''   DC  11          H2''       DC  11  24.498  20.944  -5.125
  504    H1'   DC  11           H1'       DC  11  22.882  21.231  -3.491
  505    H41   DC  11           H41       DC  11  21.183  14.844  -3.185
  506    H42   DC  11           H42       DC  11  21.492  15.453  -1.556
  507    H5    DC  11           H5        DC  11  21.493  16.255  -5.150
  508    H6    DC  11           H6        DC  11  21.972  18.589  -5.855
  509    H5'   DG  12           H5'       DG  12  24.923  23.474  -3.223
  510   H5''   DG  12          H5''       DG  12  26.488  24.276  -3.383
  511    H4'   DG  12           H4'       DG  12  26.673  22.634  -1.656
  512    H3'   DG  12           H3'       DG  12  28.065  21.827  -4.207
  513   HO3'   DG  12          H3T        DG  12  29.141  23.352  -2.845
  514    H2'   DG  12           H2'       DG  12  28.199  19.677  -3.602
  515   H2''   DG  12          H2''       DG  12  28.720  20.076  -1.945
  516    H1'   DG  12           H1'       DG  12  26.598  20.017  -1.096
  517    H8    DG  12           H8        DG  12  25.976  19.031  -4.756
  518    H1    DG  12           H1        DG  12  24.669  14.520  -0.332
  519    H21   DG  12           H21       DG  12  25.919  16.898   1.825
  520    H22   DG  12           H22       DG  12  25.361  15.238   1.631
  521    H5'   DC  13           H5'       DC  13  25.456   7.918   4.926
  522   H5''   DC  13          H5''       DC  13  24.833   8.124   6.555
  523    H4'   DC  13           H4'       DC  13  25.880  10.159   5.784
  524    H3'   DC  13           H3'       DC  13  23.220  10.011   6.767
  525    H2'   DC  13           H2'       DC  13  22.221  10.793   4.822
  526   H2''   DC  13          H2''       DC  13  22.669  12.394   5.466
  527    H1'   DC  13           H1'       DC  13  24.761  12.385   4.346
  528    H41   DC  13           H41       DC  13  22.031  11.993  -1.652
  529    H42   DC  13           H42       DC  13  23.308  13.216  -1.682
  530    H5    DC  13           H5        DC  13  21.450  10.775   0.393
  531    H6    DC  13           H6        DC  13  22.114  10.424   2.707
  532   HO5'   DC  13          H5T        DC  13  23.313   8.083   4.112
  533    H5'   DG  14           H5'       DG  14  25.725  14.328   7.153
  534   H5''   DG  14          H5''       DG  14  25.352  14.706   8.834
  535    H4'   DG  14           H4'       DG  14  25.711  16.760   7.810
  536    H3'   DG  14           H3'       DG  14  23.249  16.301   8.988
  537    H2'   DG  14           H2'       DG  14  22.050  15.921   7.019
  538   H2''   DG  14          H2''       DG  14  21.823  17.649   7.071
  539    H1'   DG  14           H1'       DG  14  23.527  18.096   5.554
  540    H8    DG  14           H8        DG  14  22.186  14.526   5.409
  541    H1    DG  14           H1        DG  14  22.313  17.631  -0.236
  542    H21   DG  14           H21       DG  14  23.722  20.138   1.644
  543    H22   DG  14           H22       DG  14  23.130  19.612   0.063
  544    H5'   DC  15           H5'       DC  15  23.691  20.394   7.011
  545   H5''   DC  15          H5''       DC  15  22.938  21.769   7.821
  546    H4'   DC  15           H4'       DC  15  22.517  21.839   5.442
  547    H3'   DC  15           H3'       DC  15  20.168  21.425   7.241
  548    H2'   DC  15           H2'       DC  15  18.915  20.464   5.648
  549   H2''   DC  15          H2''       DC  15  19.242  21.779   4.496
  550    H1'   DC  15           H1'       DC  15  21.009  20.761   3.522
  551    H41   DC  15           H41       DC  15  18.480  14.674   3.170
  552    H42   DC  15           H42       DC  15  18.490  15.424   1.566
  553    H5    DC  15           H5        DC  15  19.103  15.971   5.173
  554    H6    DC  15           H6        DC  15  20.025  18.154   5.899
  555    H5'   DA  16           H5'       DA  16  20.256  23.941   3.610
  556   H5''   DA  16          H5''       DA  16  19.633  25.579   3.803
  557    H4'   DA  16           H4'       DA  16  19.125  24.898   1.613
  558    H3'   DA  16           H3'       DA  16  17.030  25.577   3.391
  559    H2'   DA  16           H2'       DA  16  16.233  23.415   3.558
  560   H2''   DA  16          H2''       DA  16  15.271  23.883   2.156
  561    H1'   DA  16           H1'       DA  16  16.866  22.997   0.598
  562    H8    DA  16           H8        DA  16  16.971  21.408   4.065
  563    H61   DA  16           H61       DA  16  15.654  16.096   1.020
  564    H62   DA  16           H62       DA  16  16.141  16.735   2.582
  565    H2    DA  16           H2        DA  16  15.406  19.352  -1.823
  566    H5'   DT  17           H5'       DT  17  15.719  24.937  -1.003
  567   H5''   DT  17          H5''       DT  17  14.656  26.227  -1.558
  568    H4'   DT  17           H4'       DT  17  13.874  24.173  -2.460
  569    H3'   DT  17           H3'       DT  17  12.174  25.723  -0.748
  570    H2'   DT  17           H2'       DT  17  11.897  24.061   0.810
  571   H2''   DT  17          H2''       DT  17  10.698  23.407  -0.309
  572    H1'   DT  17           H1'       DT  17  12.287  22.008  -1.415
  573    H3    DT  17           H3        DT  17  12.779  18.245   1.037
  574    H71   DT  17           H71       DT  17  14.299  20.976   4.689
  575    H72   DT  17           H72       DT  17  13.459  22.511   4.337
  576    H73   DT  17           H73       DT  17  12.552  21.102   4.931
  577    H6    DT  17           H6        DT  17  13.104  22.916   2.130
  578    H5'   DA  18           H5'       DA  18  10.302  22.398  -3.031
  579   H5''   DA  18          H5''       DA  18   8.955  22.948  -4.030
  580    H4'   DA  18           H4'       DA  18   8.270  20.868  -3.308
  581    H3'   DA  18           H3'       DA  18   6.851  23.040  -1.947
  582    H2'   DA  18           H2'       DA  18   7.340  22.262   0.121
  583   H2''   DA  18          H2''       DA  18   6.057  21.075  -0.207
  584    H1'   DA  18           H1'       DA  18   7.583  19.450  -0.959
  585    H8    DA  18           H8        DA  18   8.913  21.894   1.693
  586    H61   DA  18           H61       DA  18  10.772  16.517   4.425
  587    H62   DA  18           H62       DA  18  10.662  18.249   4.750
  588    H2    DA  18           H2        DA  18   9.428  15.602   0.499
  589    H5'   DT  19           H5'       DT  19   5.612  18.728  -2.427
  590   H5''   DT  19          H5''       DT  19   4.051  18.679  -3.251
  591    H4'   DT  19           H4'       DT  19   3.847  16.885  -1.762
  592    H3'   DT  19           H3'       DT  19   2.252  19.164  -1.073
  593    H2'   DT  19           H2'       DT  19   3.583  19.776   0.704
  594   H2''   DT  19          H2''       DT  19   2.470  18.672   1.561
  595    H1'   DT  19           H1'       DT  19   3.901  16.761   1.137
  596    H3    DT  19           H3        DT  19   6.884  16.448   4.430
  597    H71   DT  19           H71       DT  19   6.331  21.708   3.093
  598    H72   DT  19           H72       DT  19   5.951  21.261   4.777
  599    H73   DT  19           H73       DT  19   7.613  21.182   4.207
  600    H6    DT  19           H6        DT  19   5.299  20.105   1.744
  601    H5'   DA  20           H5'       DA  20  -1.387  15.248  -0.037
  602   H5''   DA  20          H5''       DA  20  -0.085  16.033   0.837
  603    H4'   DA  20           H4'       DA  20   0.052  13.090   0.074
  604    H3'   DA  20           H3'       DA  20  -1.857  14.211   1.752
  605    H2'   DA  20           H2'       DA  20  -0.397  15.267   3.178
  606   H2''   DA  20          H2''       DA  20  -0.452  13.730   4.048
  607    H1'   DA  20           H1'       DA  20   1.561  12.935   3.115
  608    H8    DA  20           H8        DA  20   1.701  16.700   2.270
  609    H61   DA  20           H61       DA  20   5.154  17.258   7.407
  610    H62   DA  20           H62       DA  20   4.429  18.134   6.069
  611    H2    DA  20           H2        DA  20   3.876  13.094   7.137
  612    H5'   DT  21           H5'       DT  21   0.037  11.118   4.159
  613   H5''   DT  21          H5''       DT  21  -1.102   9.785   4.224
  614    H4'   DT  21           H4'       DT  21  -0.086   9.626   6.281
  615    H3'   DT  21           H3'       DT  21  -2.743  10.376   6.426
  616    H2'   DT  21           H2'       DT  21  -2.407  12.626   6.868
  617   H2''   DT  21          H2''       DT  21  -2.359  12.040   8.545
  618    H1'   DT  21           H1'       DT  21  -0.048  11.895   8.606
  619    H3    DT  21           H3        DT  21   2.071  15.839   8.981
  620    H71   DT  21           H71       DT  21  -0.070  17.180   4.845
  621    H72   DT  21           H72       DT  21  -1.616  16.304   4.978
  622    H73   DT  21           H73       DT  21  -1.259  17.671   6.057
  623    H6    DT  21           H6        DT  21  -1.339  14.224   5.961
  624    H5'   DG  22           H5'       DG  22  -0.565   9.588  10.535
  625   H5''   DG  22          H5''       DG  22  -1.676   8.770  11.633
  626    H4'   DG  22           H4'       DG  22  -0.461  10.371  12.895
  627    H3'   DG  22           H3'       DG  22  -3.318  10.557  12.723
  628    H2'   DG  22           H2'       DG  22  -3.263  12.605  11.640
  629   H2''   DG  22          H2''       DG  22  -3.146  13.229  13.307
  630    H1'   DG  22           H1'       DG  22  -0.745  13.209  13.235
  631    H8    DG  22           H8        DG  22  -2.517  13.884   9.900
  632    H1    DG  22           H1        DG  22   1.288  18.604  12.111
  633    H21   DG  22           H21       DG  22   1.720  16.417  14.739
  634    H22   DG  22           H22       DG  22   2.047  18.020  14.068
  635    H5'   DC  23           H5'       DC  23  -0.696  12.428  16.207
  636   H5''   DC  23          H5''       DC  23  -1.473  11.894  17.691
  637    H4'   DC  23           H4'       DC  23  -0.268  13.854  18.213
  638    H3'   DC  23           H3'       DC  23  -3.028  13.710  18.657
  639    H2'   DC  23           H2'       DC  23  -3.704  15.190  17.044
  640   H2''   DC  23          H2''       DC  23  -3.327  16.429  18.223
  641    H1'   DC  23           H1'       DC  23  -1.218  16.880  17.368
  642    H41   DC  23           H41       DC  23  -3.559  17.633  11.224
  643    H42   DC  23           H42       DC  23  -2.619  19.061  11.673
  644    H5    DC  23           H5        DC  23  -3.857  15.762  12.762
  645    H6    DC  23           H6        DC  23  -3.198  14.922  15.012
  646    H5'   DG  24           H5'       DG  24  -1.403  17.624  20.492
  647   H5''   DG  24          H5''       DG  24  -2.212  18.062  21.997
  648    H4'   DG  24           H4'       DG  24  -2.215  19.972  20.586
  649    H3'   DG  24           H3'       DG  24  -4.925  18.669  20.741
  650   HO3'   DG  24          H3T        DG  24  -5.319  20.571  22.016
  651    H2'   DG  24           H2'       DG  24  -5.703  19.857  19.004
  652   H2''   DG  24          H2''       DG  24  -4.942  21.371  19.559
  653    H1'   DG  24           H1'       DG  24  -3.036  21.040  18.348
  654    H8    DG  24           H8        DG  24  -5.127  18.009  17.263
  655    H1    DG  24           H1        DG  24  -4.020  22.506  12.763
  656    H21   DG  24           H21       DG  24  -2.359  24.046  15.376
  657    H22   DG  24           H22       DG  24  -2.913  24.176  13.705
  Start of MODEL    6
    1    H    ALA  79           H1       ALA  79  -1.638   6.488   9.121
    2    HA   ALA  79           HA       ALA  79   1.291   6.159   9.464
    3    HB1  ALA  79           HB1      ALA  79  -0.879   4.443   8.174
    4    HB2  ALA  79           HB2      ALA  79   0.876   4.102   8.087
    5    HB3  ALA  79           HB3      ALA  79   0.027   4.049   9.648
    6    H    ARG  80           H        ARG  80   2.523   6.174   7.555
    7    HA   ARG  80           HA       ARG  80   2.010   8.217   5.646
    8    HB2  ARG  80           HB2      ARG  80   4.097   6.034   5.843
    9    HB3  ARG  80           HB3      ARG  80   4.119   7.258   4.571
   10    HG2  ARG  80           HG2      ARG  80   4.002   7.952   7.530
   11    HG3  ARG  80           HG3      ARG  80   5.507   7.813   6.612
   12    HD2  ARG  80           HD2      ARG  80   5.268   9.977   6.039
   13    HD3  ARG  80           HD3      ARG  80   3.889   9.490   5.058
   14    HE   ARG  80           HE       ARG  80   2.437  10.445   6.592
   15   HH11  ARG  80          HH12      ARG  80   5.639  10.390   8.110
   16   HH12  ARG  80          HH11      ARG  80   5.132  11.640   9.221
   17   HH21  ARG  80          HH21      ARG  80   1.917  11.844   8.309
   18   HH22  ARG  80          HH22      ARG  80   3.185  12.298   9.400
   19    H    LYS  81           H        LYS  81  -0.219   7.181   5.208
   20    HA   LYS  81           HA       LYS  81  -0.747   5.183   3.288
   21    HB2  LYS  81           HB2      LYS  81  -2.108   7.794   4.107
   22    HB3  LYS  81           HB3      LYS  81  -2.826   6.679   2.953
   23    HG2  LYS  81           HG2      LYS  81  -3.265   5.047   4.543
   24    HG3  LYS  81           HG3      LYS  81  -1.985   5.591   5.655
   25    HD2  LYS  81           HD2      LYS  81  -3.238   7.517   6.322
   26    HD3  LYS  81           HD3      LYS  81  -4.502   7.213   5.111
   27    HE2  LYS  81           HE2      LYS  81  -5.203   5.183   6.205
   28    HE3  LYS  81           HE3      LYS  81  -3.791   5.179   7.267
   29    HZ1  LYS  81           HZ1      LYS  81  -4.619   7.119   8.398
   30    HZ2  LYS  81           HZ2      LYS  81  -5.883   7.296   7.372
   31    HZ3  LYS  81           HZ3      LYS  81  -5.824   6.012   8.391
   32    H    VAL  82           H        VAL  82  -0.525   5.074   1.323
   33    HA   VAL  82           HA       VAL  82   0.739   7.054  -0.411
   34    HB   VAL  82           HB       VAL  82  -0.584   4.374  -1.007
   35   HG11  VAL  82          HG11      VAL  82   0.736   4.492  -3.158
   36   HG12  VAL  82          HG12      VAL  82  -0.666   5.555  -3.063
   37   HG13  VAL  82          HG13      VAL  82   0.978   6.229  -2.848
   38   HG21  VAL  82          HG21      VAL  82   2.349   5.106  -0.847
   39   HG22  VAL  82          HG22      VAL  82   1.420   4.253   0.428
   40   HG23  VAL  82          HG23      VAL  82   1.654   3.501  -1.160
   41    H    LYS  83           H        LYS  83  -0.191   8.513  -1.708
   42    HA   LYS  83           HA       LYS  83  -3.087   8.273  -2.348
   43    HB2  LYS  83           HB2      LYS  83  -1.345  10.690  -1.941
   44    HB3  LYS  83           HB3      LYS  83  -2.526  10.725  -3.276
   45    HG2  LYS  83           HG2      LYS  83  -4.360  10.208  -1.817
   46    HG3  LYS  83           HG3      LYS  83  -3.283  10.098  -0.407
   47    HD2  LYS  83           HD2      LYS  83  -2.740  12.457  -0.538
   48    HD3  LYS  83           HD3      LYS  83  -3.436  12.590  -2.158
   49    HE2  LYS  83           HE2      LYS  83  -4.958  13.651  -0.660
   50    HE3  LYS  83           HE3      LYS  83  -5.701  12.180  -1.296
   51    HZ1  LYS  83           HZ1      LYS  83  -6.085  12.334   1.088
   52    HZ2  LYS  83           HZ2      LYS  83  -5.019  11.100   0.880
   53    HZ3  LYS  83           HZ3      LYS  83  -4.499  12.539   1.431
   54    H    GLN  84           H        GLN  84  -3.518   7.710  -4.355
   55    HA   GLN  84           HA       GLN  84  -1.366   7.645  -6.380
   56    HB2  GLN  84           HB2      GLN  84  -2.357   5.668  -6.833
   57    HB3  GLN  84           HB3      GLN  84  -3.844   6.066  -5.964
   58    HG2  GLN  84           HG2      GLN  84  -4.634   7.325  -7.893
   59    HG3  GLN  84           HG3      GLN  84  -3.133   6.948  -8.790
   60   HE21  GLN  84          HE22      GLN  84  -2.696   4.476  -9.073
   61   HE22  GLN  84          HE21      GLN  84  -4.126   3.486  -9.308
   62    H    TYR  85           H        TYR  85  -1.610   8.969  -8.118
   63    HA   TYR  85           HA       TYR  85  -3.922  10.879  -8.182
   64    HB2  TYR  85           HB2      TYR  85  -1.028  11.615  -8.779
   65    HB3  TYR  85           HB3      TYR  85  -2.420  12.681  -8.834
   66    HD1  TYR  85           HD1      TYR  85  -3.512  13.488  -6.824
   67    HD2  TYR  85           HD2      TYR  85   0.057  11.092  -6.636
   68    HE1  TYR  85           HE1      TYR  85  -3.085  14.334  -4.515
   69    HE2  TYR  85           HE2      TYR  85   0.497  11.908  -4.332
   70    HH   TYR  85           HH       TYR  85  -0.195  13.387  -2.650
   71    H    LYS  86           H        LYS  86  -4.723  11.229 -10.266
   72    HA   LYS  86           HA       LYS  86  -3.299  10.005 -12.598
   73    HB2  LYS  86           HB2      LYS  86  -4.961   8.409 -11.861
   74    HB3  LYS  86           HB3      LYS  86  -6.217   9.652 -11.776
   75    HG2  LYS  86           HG2      LYS  86  -6.271   9.916 -14.170
   76    HG3  LYS  86           HG3      LYS  86  -4.807   8.949 -14.383
   77    HD2  LYS  86           HD2      LYS  86  -6.020   6.955 -13.456
   78    HD3  LYS  86           HD3      LYS  86  -7.489   7.949 -13.330
   79    HE2  LYS  86           HE2      LYS  86  -7.374   8.374 -15.806
   80    HE3  LYS  86           HE3      LYS  86  -5.938   7.350 -15.900
   81    HZ1  LYS  86           HZ1      LYS  86  -8.634   6.413 -15.033
   82    HZ2  LYS  86           HZ2      LYS  86  -7.955   6.103 -16.483
   83    HZ3  LYS  86           HZ3      LYS  86  -7.305   5.464 -15.130
   84    H    ASN  87           H        ASN  87  -3.375  11.204 -14.428
   85    HA   ASN  87           HA       ASN  87  -4.534  13.934 -14.134
   86    HB2  ASN  87           HB2      ASN  87  -2.161  13.648 -14.316
   87    HB3  ASN  87           HB3      ASN  87  -2.318  12.883 -15.893
   88   HD21  ASN  87          HD22      ASN  87  -0.828  15.288 -15.223
   89   HD22  ASN  87          HD21      ASN  87  -1.610  16.611 -16.094
   90    HA   PRO  88           HA       PRO  88  -7.689  12.680 -17.194
   91    HB2  PRO  88           HB2      PRO  88  -8.255  15.629 -16.869
   92    HB3  PRO  88           HB3      PRO  88  -9.413  14.263 -16.952
   93    HG2  PRO  88           HG2      PRO  88  -8.788  15.380 -14.560
   94    HG3  PRO  88           HG3      PRO  88  -8.890  13.598 -14.712
   95    HD2  PRO  88           HD2      PRO  88  -6.427  15.341 -14.714
   96    HD3  PRO  88           HD3      PRO  88  -6.730  13.794 -13.874
   97    H    HIS  89           H        HIS  89  -5.308  15.288 -17.506
   98    HA   HIS  89           HA       HIS  89  -5.994  15.860 -20.316
   99    HB2  HIS  89           HB2      HIS  89  -3.754  16.968 -18.564
  100    HB3  HIS  89           HB3      HIS  89  -4.298  17.619 -20.107
  101    HD1  HIS  89           HD1      HIS  89  -6.890  18.677 -20.087
  102    HD2  HIS  89           HD2      HIS  89  -5.028  17.780 -16.395
  103    HE1  HIS  89           HE1      HIS  89  -8.217  19.940 -18.276
  104    HE2  HIS  89           HE2      HIS  89  -7.074  19.402 -16.034
  105    H    THR  90           H        THR  90  -3.681  13.828 -18.665
  106    HA   THR  90           HA       THR  90  -2.163  13.393 -21.224
  107    HB   THR  90           HB       THR  90  -0.182  13.072 -19.896
  108    HG1  THR  90           HG1      THR  90  -0.272  13.381 -17.659
  109   HG21  THR  90          HG21      THR  90  -1.586  15.552 -18.812
  110   HG22  THR  90          HG22      THR  90   0.165  15.270 -18.932
  111   HG23  THR  90          HG23      THR  90  -0.800  15.458 -20.413
  112    H    GLY  91           H        GLY  91  -3.886  11.751 -18.647
  113    HA2  GLY  91           HA2      GLY  91  -4.404   9.519 -18.390
  114    HA3  GLY  91           HA3      GLY  91  -3.528   9.123 -19.867
  115    H    GLU  92           H        GLU  92  -1.656  10.927 -17.539
  116    HA   GLU  92           HA       GLU  92   0.086   8.696 -16.893
  117    HB2  GLU  92           HB2      GLU  92  -0.031  11.614 -16.076
  118    HB3  GLU  92           HB3      GLU  92   1.211  10.476 -15.523
  119    HG2  GLU  92           HG2      GLU  92   2.090  10.200 -17.713
  120    HG3  GLU  92           HG3      GLU  92   0.817  11.190 -18.444
  121    H    VAL  93           H        VAL  93   0.261   7.894 -14.889
  122    HA   VAL  93           HA       VAL  93  -1.437   8.818 -12.632
  123    HB   VAL  93           HB       VAL  93  -0.698   5.974 -13.279
  124   HG11  VAL  93          HG11      VAL  93  -1.172   6.216 -10.856
  125   HG12  VAL  93          HG12      VAL  93  -2.684   7.079 -11.216
  126   HG13  VAL  93          HG13      VAL  93  -2.503   5.368 -11.620
  127   HG21  VAL  93          HG21      VAL  93  -3.140   5.657 -13.864
  128   HG22  VAL  93          HG22      VAL  93  -3.333   7.424 -13.741
  129   HG23  VAL  93          HG23      VAL  93  -2.284   6.728 -14.981
  130    H    ILE  94           H        ILE  94  -0.534   8.410 -10.613
  131    HA   ILE  94           HA       ILE  94   2.284   7.637 -10.271
  132    HB   ILE  94           HB       ILE  94   1.787   9.901  -8.551
  133   HG12  ILE  94          HG12      ILE  94   1.755  10.791 -11.454
  134   HG13  ILE  94          HG13      ILE  94   0.347  10.792 -10.377
  135   HG21  ILE  94          HG21      ILE  94   3.876   9.686 -10.737
  136   HG22  ILE  94          HG22      ILE  94   3.971  10.569  -9.182
  137   HG23  ILE  94          HG23      ILE  94   3.979   8.817  -9.178
  138   HD11  ILE  94          HD11      ILE  94   1.588  12.234  -8.772
  139   HD12  ILE  94          HD12      ILE  94   2.885  12.390  -9.977
  140   HD13  ILE  94          HD13      ILE  94   1.266  13.004 -10.350
  141    H    GLU  95           H        GLU  95   2.791   7.540  -7.971
  142    HA   GLU  95           HA       GLU  95   0.641   7.300  -5.970
  143    HB2  GLU  95           HB2      GLU  95   2.459   5.082  -6.941
  144    HB3  GLU  95           HB3      GLU  95   1.851   5.092  -5.265
  145    HG2  GLU  95           HG2      GLU  95  -0.427   5.017  -5.984
  146    HG3  GLU  95           HG3      GLU  95   0.025   5.181  -7.686
  147    H    THR  96           H        THR  96   1.382   8.489  -4.293
  148    HA   THR  96           HA       THR  96   4.219   8.273  -3.430
  149    HB   THR  96           HB       THR  96   4.852  10.398  -3.751
  150    HG1  THR  96           HG1      THR  96   3.510  12.183  -3.486
  151   HG21  THR  96          HG21      THR  96   3.942  11.611  -5.681
  152   HG22  THR  96          HG22      THR  96   4.051   9.898  -6.083
  153   HG23  THR  96          HG23      THR  96   2.471  10.605  -5.653
  154    H    LYS  97           H        LYS  97   4.555   8.875  -1.199
  155    HA   LYS  97           HA       LYS  97   2.059   8.841   0.461
  156    HB2  LYS  97           HB2      LYS  97   4.946   8.654   1.290
  157    HB3  LYS  97           HB3      LYS  97   3.557   8.290   2.302
  158    HG2  LYS  97           HG2      LYS  97   3.033   6.304   1.020
  159    HG3  LYS  97           HG3      LYS  97   4.229   6.700  -0.212
  160    HD2  LYS  97           HD2      LYS  97   5.990   6.570   1.683
  161    HD3  LYS  97           HD3      LYS  97   4.731   5.782   2.625
  162    HE2  LYS  97           HE2      LYS  97   6.057   4.057   1.636
  163    HE3  LYS  97           HE3      LYS  97   4.520   4.064   0.771
  164    HZ1  LYS  97           HZ1      LYS  97   5.632   5.298  -1.041
  165    HZ2  LYS  97           HZ2      LYS  97   7.023   5.402  -0.212
  166    HZ3  LYS  97           HZ3      LYS  97   6.490   3.936  -0.726
  167    H    GLY  98           H        GLY  98   3.443  11.186  -1.069
  168    HA2  GLY  98           HA2      GLY  98   2.845  13.513  -0.380
  169    HA3  GLY  98           HA3      GLY  98   3.710  13.182   1.131
  170    H    GLY  99           H        GLY  99   4.829  15.113   0.489
  171    HA2  GLY  99           HA2      GLY  99   6.840  16.040   0.166
  172    HA3  GLY  99           HA3      GLY  99   7.445  14.474  -0.338
  173    H    ASN 100           H        ASN 100   8.519  16.663  -1.255
  174    HA   ASN 100           HA       ASN 100   7.933  17.604  -3.862
  175    HB2  ASN 100           HB2      ASN 100   9.578  18.692  -2.519
  176    HB3  ASN 100           HB3      ASN 100  10.349  17.193  -2.093
  177   HD21  ASN 100          HD22      ASN 100  12.182  18.626  -2.492
  178   HD22  ASN 100          HD21      ASN 100  12.949  18.290  -4.023
  179    H    HIS 101           H        HIS 101   7.209  16.108  -5.323
  180    HA   HIS 101           HA       HIS 101   9.076  13.944  -6.178
  181    HB2  HIS 101           HB2      HIS 101   7.159  13.079  -4.789
  182    HB3  HIS 101           HB3      HIS 101   6.048  13.662  -6.022
  183    HD1  HIS 101           HD1      HIS 101   9.019  11.120  -5.665
  184    HD2  HIS 101           HD2      HIS 101   5.664  12.027  -8.102
  185    HE1  HIS 101           HE1      HIS 101   8.783   9.196  -7.331
  186    HE2  HIS 101           HE2      HIS 101   6.761   9.737  -8.821
  187    H    LYS 102           H        LYS 102   9.378  13.752  -8.372
  188    HA   LYS 102           HA       LYS 102   9.252  16.036  -9.922
  189    HB2  LYS 102           HB2      LYS 102  10.724  13.990 -10.219
  190    HB3  LYS 102           HB3      LYS 102   9.390  13.233 -11.067
  191    HG2  LYS 102           HG2      LYS 102  10.672  14.152 -12.801
  192    HG3  LYS 102           HG3      LYS 102   9.373  15.320 -12.593
  193    HD2  LYS 102           HD2      LYS 102  11.426  16.502 -12.935
  194    HD3  LYS 102           HD3      LYS 102  10.904  16.789 -11.270
  195    HE2  LYS 102           HE2      LYS 102  12.520  15.100 -10.447
  196    HE3  LYS 102           HE3      LYS 102  12.952  14.679 -12.105
  197    HZ1  LYS 102           HZ1      LYS 102  13.429  17.342 -10.867
  198    HZ2  LYS 102           HZ2      LYS 102  14.555  16.167 -11.088
  199    HZ3  LYS 102           HZ3      LYS 102  13.872  16.905 -12.389
  200    H    THR 103           H        THR 103   7.236  13.259 -11.036
  201    HA   THR 103           HA       THR 103   5.815  14.810 -12.894
  202    HB   THR 103           HB       THR 103   4.747  12.338 -11.500
  203    HG1  THR 103           HG1      THR 103   5.809  11.260 -13.218
  204   HG21  THR 103          HG21      THR 103   3.036  13.340 -12.842
  205   HG22  THR 103          HG22      THR 103   4.167  13.750 -14.133
  206   HG23  THR 103          HG23      THR 103   3.696  12.047 -13.855
  207    H    LEU 104           H        LEU 104   4.938  14.114  -9.531
  208    HA   LEU 104           HA       LEU 104   2.371  15.308  -9.487
  209    HB2  LEU 104           HB2      LEU 104   3.362  13.775  -7.767
  210    HB3  LEU 104           HB3      LEU 104   4.479  15.054  -7.288
  211    HG   LEU 104           HG       LEU 104   2.626  16.420  -6.457
  212   HD11  LEU 104          HD11      LEU 104   0.804  15.691  -7.961
  213   HD12  LEU 104          HD12      LEU 104   0.852  14.060  -7.257
  214   HD13  LEU 104          HD13      LEU 104   0.348  15.441  -6.271
  215   HD21  LEU 104          HD21      LEU 104   3.709  14.772  -4.962
  216   HD22  LEU 104          HD22      LEU 104   2.000  14.992  -4.556
  217   HD23  LEU 104          HD23      LEU 104   2.510  13.544  -5.443
  218    H    LYS 105           H        LYS 105   5.611  16.787  -9.089
  219    HA   LYS 105           HA       LYS 105   4.582  19.431  -8.467
  220    HB2  LYS 105           HB2      LYS 105   6.853  18.702  -7.789
  221    HB3  LYS 105           HB3      LYS 105   7.303  18.495  -9.474
  222    HG2  LYS 105           HG2      LYS 105   8.256  20.550  -8.631
  223    HG3  LYS 105           HG3      LYS 105   7.105  20.892  -9.903
  224    HD2  LYS 105           HD2      LYS 105   6.780  22.552  -8.254
  225    HD3  LYS 105           HD3      LYS 105   5.391  21.481  -8.119
  226    HE2  LYS 105           HE2      LYS 105   6.570  20.300  -6.189
  227    HE3  LYS 105           HE3      LYS 105   7.889  21.467  -6.361
  228    HZ1  LYS 105           HZ1      LYS 105   6.431  22.262  -4.657
  229    HZ2  LYS 105           HZ2      LYS 105   6.138  23.249  -5.938
  230    HZ3  LYS 105           HZ3      LYS 105   5.090  22.034  -5.506
  231    H    GLU 106           H        GLU 106   5.337  17.775 -11.553
  232    HA   GLU 106           HA       GLU 106   5.239  20.197 -13.097
  233    HB2  GLU 106           HB2      GLU 106   4.495  17.438 -14.099
  234    HB3  GLU 106           HB3      GLU 106   5.075  18.837 -15.037
  235    HG2  GLU 106           HG2      GLU 106   7.221  18.604 -13.583
  236    HG3  GLU 106           HG3      GLU 106   6.502  17.048 -13.110
  237    H    TRP 107           H        TRP 107   2.882  17.694 -12.308
  238    HA   TRP 107           HA       TRP 107   0.672  18.862 -13.683
  239    HB2  TRP 107           HB2      TRP 107   0.626  17.247 -11.119
  240    HB3  TRP 107           HB3      TRP 107  -0.769  17.606 -12.138
  241    HD1  TRP 107           HD1      TRP 107   1.915  16.649 -14.478
  242    HE1  TRP 107           HE1      TRP 107   1.638  14.181 -15.178
  243    HE3  TRP 107           HE3      TRP 107  -1.576  15.167 -11.030
  244    HZ2  TRP 107           HZ2      TRP 107   0.585  11.800 -13.969
  245    HZ3  TRP 107           HZ3      TRP 107  -2.318  12.807 -10.975
  246    HH2  TRP 107           HH2      TRP 107  -1.179  11.093 -12.387
  247    H    LYS 108           H        LYS 108   1.850  19.567 -10.376
  248    HA   LYS 108           HA       LYS 108  -0.244  21.470  -9.727
  249    HB2  LYS 108           HB2      LYS 108   2.627  21.205  -8.727
  250    HB3  LYS 108           HB3      LYS 108   1.476  22.397  -8.122
  251    HG2  LYS 108           HG2      LYS 108  -0.096  20.543  -7.524
  252    HG3  LYS 108           HG3      LYS 108   1.147  19.379  -7.987
  253    HD2  LYS 108           HD2      LYS 108   2.719  20.511  -6.349
  254    HD3  LYS 108           HD3      LYS 108   1.357  21.520  -5.820
  255    HE2  LYS 108           HE2      LYS 108   0.082  19.343  -5.324
  256    HE3  LYS 108           HE3      LYS 108   1.565  18.472  -5.726
  257    HZ1  LYS 108           HZ1      LYS 108   1.651  18.727  -3.432
  258    HZ2  LYS 108           HZ2      LYS 108   2.646  19.964  -3.953
  259    HZ3  LYS 108           HZ3      LYS 108   1.131  20.292  -3.435
  260    H    ALA 109           H        ALA 109   2.844  21.791 -11.522
  261    HA   ALA 109           HA       ALA 109   2.806  24.646 -11.663
  262    HB1  ALA 109           HB1      ALA 109   4.794  23.136 -12.105
  263    HB2  ALA 109           HB2      ALA 109   4.029  22.643 -13.635
  264    HB3  ALA 109           HB3      ALA 109   4.492  24.327 -13.404
  265    H    LYS 110           H        LYS 110   1.850  22.073 -13.912
  266    HA   LYS 110           HA       LYS 110   1.074  23.727 -15.945
  267    HB2  LYS 110           HB2      LYS 110   0.783  20.789 -15.385
  268    HB3  LYS 110           HB3      LYS 110   0.112  21.476 -16.877
  269    HG2  LYS 110           HG2      LYS 110   2.354  22.371 -17.478
  270    HG3  LYS 110           HG3      LYS 110   3.026  21.706 -15.987
  271    HD2  LYS 110           HD2      LYS 110   3.622  20.150 -17.667
  272    HD3  LYS 110           HD3      LYS 110   2.283  19.408 -16.799
  273    HE2  LYS 110           HE2      LYS 110   1.776  19.010 -19.060
  274    HE3  LYS 110           HE3      LYS 110   0.735  20.367 -18.613
  275    HZ1  LYS 110           HZ1      LYS 110   2.367  21.865 -19.705
  276    HZ2  LYS 110           HZ2      LYS 110   3.328  20.596 -20.085
  277    HZ3  LYS 110           HZ3      LYS 110   1.853  20.736 -20.762
  278    H    TRP 111           H        TRP 111  -0.938  22.182 -13.486
  279    HA   TRP 111           HA       TRP 111  -3.367  23.584 -14.570
  280    HB2  TRP 111           HB2      TRP 111  -3.258  20.766 -13.449
  281    HB3  TRP 111           HB3      TRP 111  -4.704  21.626 -13.971
  282    HD1  TRP 111           HD1      TRP 111  -4.927  22.125 -16.642
  283    HE1  TRP 111           HE1      TRP 111  -4.001  20.887 -18.694
  284    HE3  TRP 111           HE3      TRP 111  -1.373  19.322 -14.325
  285    HZ2  TRP 111           HZ2      TRP 111  -1.902  18.973 -19.261
  286    HZ3  TRP 111           HZ3      TRP 111   0.178  17.872 -15.659
  287    HH2  TRP 111           HH2      TRP 111  -0.116  17.647 -18.096
  288    H    GLY 112           H        GLY 112  -2.092  22.031 -11.554
  289    HA2  GLY 112           HA2      GLY 112  -1.883  23.972  -9.847
  290    HA3  GLY 112           HA3      GLY 112  -3.628  24.063  -9.943
  291    HA   PRO 113           HA       PRO 113  -2.080  20.774  -6.799
  292    HB2  PRO 113           HB2      PRO 113  -2.404  22.189  -4.428
  293    HB3  PRO 113           HB3      PRO 113  -0.872  21.978  -5.314
  294    HG2  PRO 113           HG2      PRO 113  -2.773  24.317  -5.396
  295    HG3  PRO 113           HG3      PRO 113  -0.975  24.327  -5.319
  296    HD2  PRO 113           HD2      PRO 113  -2.332  24.745  -7.631
  297    HD3  PRO 113           HD3      PRO 113  -0.791  23.835  -7.604
  298    H    GLU 114           H        GLU 114  -4.776  23.147  -6.649
  299    HA   GLU 114           HA       GLU 114  -6.570  21.631  -5.043
  300    HB2  GLU 114           HB2      GLU 114  -7.354  23.350  -7.405
  301    HB3  GLU 114           HB3      GLU 114  -8.254  23.007  -5.897
  302    HG2  GLU 114           HG2      GLU 114  -6.415  24.279  -4.669
  303    HG3  GLU 114           HG3      GLU 114  -5.772  24.709  -6.270
  304    H    ALA 115           H        ALA 115  -6.072  21.780  -8.494
  305    HA   ALA 115           HA       ALA 115  -8.022  19.915  -9.378
  306    HB1  ALA 115           HB1      ALA 115  -5.307  20.416 -10.687
  307    HB2  ALA 115           HB2      ALA 115  -6.837  20.001 -11.461
  308    HB3  ALA 115           HB3      ALA 115  -6.642  21.615 -10.731
  309    H    VAL 116           H        VAL 116  -4.533  19.578  -8.882
  310    HA   VAL 116           HA       VAL 116  -4.234  16.937  -9.427
  311    HB   VAL 116           HB       VAL 116  -2.685  18.899  -7.746
  312   HG11  VAL 116          HG11      VAL 116  -1.687  16.116  -8.418
  313   HG12  VAL 116          HG12      VAL 116  -0.725  17.467  -7.758
  314   HG13  VAL 116          HG13      VAL 116  -2.010  16.753  -6.784
  315   HG21  VAL 116          HG21      VAL 116  -2.122  17.548 -10.407
  316   HG22  VAL 116          HG22      VAL 116  -2.895  19.127 -10.262
  317   HG23  VAL 116          HG23      VAL 116  -1.223  18.915  -9.690
  318    H    GLU 117           H        GLU 117  -4.804  18.361  -6.173
  319    HA   GLU 117           HA       GLU 117  -4.827  15.821  -4.758
  320    HB2  GLU 117           HB2      GLU 117  -6.014  18.561  -4.109
  321    HB3  GLU 117           HB3      GLU 117  -6.060  17.178  -3.017
  322    HG2  GLU 117           HG2      GLU 117  -3.587  17.095  -2.983
  323    HG3  GLU 117           HG3      GLU 117  -3.510  18.501  -4.055
  324    H    SER 118           H        SER 118  -7.339  17.697  -6.482
  325    HA   SER 118           HA       SER 118  -9.583  16.205  -5.417
  326    HB2  SER 118           HB2      SER 118  -9.384  17.799  -8.000
  327    HB3  SER 118           HB3      SER 118 -10.869  17.148  -7.294
  328    HG   SER 118           HG       SER 118  -9.144  19.150  -6.273
  329    H    TRP 119           H        TRP 119  -7.403  15.686  -8.152
  330    HA   TRP 119           HA       TRP 119  -8.871  13.448  -9.265
  331    HB2  TRP 119           HB2      TRP 119  -5.921  14.055  -9.567
  332    HB3  TRP 119           HB3      TRP 119  -6.954  13.095 -10.615
  333    HD1  TRP 119           HD1      TRP 119  -9.265  15.492 -10.781
  334    HE1  TRP 119           HE1      TRP 119  -8.808  17.458 -12.360
  335    HE3  TRP 119           HE3      TRP 119  -4.211  14.910 -11.359
  336    HZ2  TRP 119           HZ2      TRP 119  -6.537  18.651 -13.679
  337    HZ3  TRP 119           HZ3      TRP 119  -2.929  16.458 -12.832
  338    HH2  TRP 119           HH2      TRP 119  -4.074  18.334 -13.980
  339    H    ALA 120           H        ALA 120  -7.064  13.592  -6.302
  340    HA   ALA 120           HA       ALA 120  -5.612  11.204  -6.615
  341    HB1  ALA 120           HB1      ALA 120  -6.346  12.412  -3.943
  342    HB2  ALA 120           HB2      ALA 120  -4.894  11.489  -4.400
  343    HB3  ALA 120           HB3      ALA 120  -5.143  13.148  -5.015
  344    H    THR 121           H        THR 121  -5.641   9.597  -5.119
  345    HA   THR 121           HA       THR 121  -8.166   8.142  -4.298
  346    HB   THR 121           HB       THR 121  -5.852   7.109  -5.967
  347    HG1  THR 121           HG1      THR 121  -7.469   6.867  -7.596
  348   HG21  THR 121          HG21      THR 121  -8.410   5.880  -4.881
  349   HG22  THR 121          HG22      THR 121  -7.476   5.104  -6.197
  350   HG23  THR 121          HG23      THR 121  -6.748   5.309  -4.603
  351    H    LEU 122           H        LEU 122  -7.828   6.827  -2.522
  352    HA   LEU 122           HA       LEU 122  -5.186   7.159  -1.128
  353    HB2  LEU 122           HB2      LEU 122  -7.427   8.120  -0.252
  354    HB3  LEU 122           HB3      LEU 122  -7.812   6.463   0.201
  355    HG   LEU 122           HG       LEU 122  -5.363   8.071   1.100
  356   HD11  LEU 122          HD11      LEU 122  -7.521   8.886   2.032
  357   HD12  LEU 122          HD12      LEU 122  -7.862   7.253   2.643
  358   HD13  LEU 122          HD13      LEU 122  -6.489   8.174   3.284
  359   HD21  LEU 122          HD21      LEU 122  -6.265   5.269   1.843
  360   HD22  LEU 122          HD22      LEU 122  -4.667   5.832   1.268
  361   HD23  LEU 122          HD23      LEU 122  -5.207   6.239   2.883
  362    H    LEU 123           H        LEU 123  -3.957   5.495  -0.920
  363    HA   LEU 123           HA       LEU 123  -4.959   2.714  -1.313
  364    HB2  LEU 123           HB2      LEU 123  -2.349   4.028  -2.210
  365    HB3  LEU 123           HB3      LEU 123  -2.771   2.327  -2.424
  366    HG   LEU 123           HG       LEU 123  -4.170   4.736  -3.683
  367   HD11  LEU 123          HD11      LEU 123  -2.335   2.562  -4.784
  368   HD12  LEU 123          HD12      LEU 123  -3.200   3.754  -5.770
  369   HD13  LEU 123          HD13      LEU 123  -1.972   4.288  -4.594
  370   HD21  LEU 123          HD21      LEU 123  -5.371   3.041  -5.069
  371   HD22  LEU 123          HD22      LEU 123  -4.668   1.740  -4.075
  372   HD23  LEU 123          HD23      LEU 123  -5.808   2.902  -3.368
  373    H    GLY 124           H        GLY 124  -4.560   1.336   0.175
  374    HA2  GLY 124           HA2      GLY 124  -3.444   2.106   2.712
  375    HA3  GLY 124           HA3      GLY 124  -4.055   0.516   2.280
  376    H    HIS 125           H        HIS 125  -1.926   0.557  -0.002
  377    HA   HIS 125           HA       HIS 125   0.640   0.348   1.380
  378    HB2  HIS 125           HB2      HIS 125   0.979  -2.039   0.743
  379    HB3  HIS 125           HB3      HIS 125  -0.217  -1.795   2.003
  380    HD1  HIS 125           HD1      HIS 125  -1.055  -1.501  -1.747
  381    HD2  HIS 125           HD2      HIS 125  -1.624  -4.003   1.604
  382    HE1  HIS 125           HE1      HIS 125  -2.770  -3.325  -2.468
  383    HE2  HIS 125           HE2      HIS 125  -3.118  -4.822  -0.397
  384    H5'   DC   1           H5'       DC   1  -4.953  29.160   7.560
  385   H5''   DC   1          H5''       DC   1  -3.541  29.955   6.877
  386    H4'   DC   1           H4'       DC   1  -3.305  29.880   9.258
  387    H3'   DC   1           H3'       DC   1  -1.412  28.774   7.516
  388    H2'   DC   1           H2'       DC   1  -1.570  26.605   8.065
  389   H2''   DC   1          H2''       DC   1  -0.609  27.001   9.479
  390    H1'   DC   1           H1'       DC   1  -2.393  27.202  10.911
  391    H41   DC   1           H41       DC   1  -5.162  21.516   8.911
  392    H42   DC   1           H42       DC   1  -5.071  21.520  10.676
  393    H5    DC   1           H5        DC   1  -4.345  23.440   7.567
  394    H6    DC   1           H6        DC   1  -3.393  25.659   7.750
  395   HO5'   DC   1          H5T        DC   1  -4.170  28.054   5.661
  396    H5'   DG   2           H5'       DG   2  -0.173  29.035  12.146
  397   H5''   DG   2          H5''       DG   2   1.391  29.853  12.199
  398    H4'   DG   2           H4'       DG   2   1.456  28.330  13.959
  399    H3'   DG   2           H3'       DG   2   3.326  28.023  11.886
  400    H2'   DG   2           H2'       DG   2   2.340  26.112  11.003
  401   H2''   DG   2          H2''       DG   2   3.413  25.314  12.158
  402    H1'   DG   2           H1'       DG   2   1.705  25.159  13.826
  403    H8    DG   2           H8        DG   2   0.474  25.294  10.205
  404    H1    DG   2           H1        DG   2  -1.547  20.184  13.576
  405    H21   DG   2           H21       DG   2   0.283  21.643  16.094
  406    H22   DG   2           H22       DG   2  -0.723  20.283  15.584
  407    H5'   DC   3           H5'       DC   3   3.875  25.513  15.864
  408   H5''   DC   3          H5''       DC   3   5.577  25.510  16.334
  409    H4'   DC   3           H4'       DC   3   4.566  23.426  16.977
  410    H3'   DC   3           H3'       DC   3   6.765  23.470  15.058
  411    H2'   DC   3           H2'       DC   3   5.945  21.956  13.603
  412   H2''   DC   3          H2''       DC   3   5.963  20.734  14.880
  413    H1'   DC   3           H1'       DC   3   3.761  20.977  15.412
  414    H41   DC   3           H41       DC   3   1.459  21.555   9.231
  415    H42   DC   3           H42       DC   3   0.842  20.065   9.965
  416    H5    DC   3           H5        DC   3   3.106  22.951  10.387
  417    H6    DC   3           H6        DC   3   4.258  23.261  12.569
  418    H5'   DA   4           H5'       DA   4   6.134  19.676  17.437
  419   H5''   DA   4          H5''       DA   4   7.613  18.985  18.105
  420    H4'   DA   4           H4'       DA   4   6.293  17.208  17.286
  421    H3'   DA   4           H3'       DA   4   8.874  17.672  16.112
  422    H2'   DA   4           H2'       DA   4   8.062  17.995  13.994
  423   H2''   DA   4          H2''       DA   4   8.020  16.232  13.910
  424    H1'   DA   4           H1'       DA   4   5.741  16.112  14.612
  425    H8    DA   4           H8        DA   4   6.733  19.401  12.934
  426    H61   DA   4           H61       DA   4   2.307  17.886   8.764
  427    H62   DA   4           H62       DA   4   3.442  19.144   9.224
  428    H2    DA   4           H2        DA   4   2.579  14.662  11.668
  429    H5'   DT   5           H5'       DT   5   7.041  13.365  15.612
  430   H5''   DT   5          H5''       DT   5   8.293  12.138  15.835
  431    H4'   DT   5           H4'       DT   5   6.845  11.456  14.044
  432    H3'   DT   5           H3'       DT   5   9.658  11.877  13.584
  433    H2'   DT   5           H2'       DT   5   9.408  13.389  11.911
  434   H2''   DT   5          H2''       DT   5   8.994  12.004  10.885
  435    H1'   DT   5           H1'       DT   5   6.678  12.208  11.258
  436    H3    DT   5           H3        DT   5   5.084  15.449   8.548
  437    H71   DT   5           H71       DT   5   8.099  18.558  10.718
  438    H72   DT   5           H72       DT   5   9.390  17.447  11.234
  439    H73   DT   5           H73       DT   5   9.170  17.836   9.514
  440    H6    DT   5           H6        DT   5   8.677  15.345  11.767
  441    H5'   DA   6           H5'       DA   6   7.239   8.882  10.695
  442   H5''   DA   6          H5''       DA   6   8.282   7.462  10.580
  443    H4'   DA   6           H4'       DA   6   7.060   7.618   8.581
  444    H3'   DA   6           H3'       DA   6   9.855   7.543   8.474
  445    H2'   DA   6           H2'       DA   6  10.224   9.724   7.891
  446   H2''   DA   6          H2''       DA   6   9.928   9.167   6.259
  447    H1'   DA   6           H1'       DA   6   7.738   9.907   6.195
  448    H8    DA   6           H8        DA   6   9.954  11.590   8.845
  449    H61   DA   6           H61       DA   6   7.947  16.874   6.164
  450    H62   DA   6           H62       DA   6   9.117  16.224   7.312
  451    H2    DA   6           H2        DA   6   5.721  13.579   4.423
  452    H5'   DT   7           H5'       DT   7   7.110   7.639   5.017
  453   H5''   DT   7          H5''       DT   7   7.415   6.525   3.685
  454    H4'   DT   7           H4'       DT   7   6.374   8.590   2.919
  455    H3'   DT   7           H3'       DT   7   8.728   7.514   1.775
  456    H2'   DT   7           H2'       DT   7  10.086   9.269   2.506
  457   H2''   DT   7          H2''       DT   7   9.521  10.017   0.993
  458    H1'   DT   7           H1'       DT   7   7.648  11.066   2.060
  459    H3    DT   7           H3        DT   7   9.589  14.917   3.372
  460    H71   DT   7           H71       DT   7  11.898  12.376   6.786
  461    H72   DT   7           H72       DT   7  12.100  10.821   5.949
  462    H73   DT   7           H73       DT   7  13.023  12.249   5.433
  463    H6    DT   7           H6        DT   7  10.402  10.292   4.424
  464    H5'   DA   8           H5'       DA   8   7.394  10.744  -1.433
  465   H5''   DA   8          H5''       DA   8   7.507   9.894  -2.971
  466    H4'   DA   8           H4'       DA   8   8.711  11.856  -3.316
  467    H3'   DA   8           H3'       DA   8  10.439   9.490  -3.041
  468    H2'   DA   8           H2'       DA   8  11.814  10.462  -1.522
  469   H2''   DA   8          H2''       DA   8  12.414  11.449  -2.887
  470    H1'   DA   8           H1'       DA   8  10.950  13.224  -2.442
  471    H8    DA   8           H8        DA   8  11.525  11.047   0.787
  472    H61   DA   8           H61       DA   8  13.183  16.657   3.116
  473    H62   DA   8           H62       DA   8  12.938  14.996   3.642
  474    H2    DA   8           H2        DA   8  12.133  17.206  -0.935
  475    H5'   DT   9           H5'       DT   9  11.046  13.085  -5.973
  476   H5''   DT   9          H5''       DT   9  11.772  12.466  -7.471
  477    H4'   DT   9           H4'       DT   9  12.342  14.779  -7.237
  478    H3'   DT   9           H3'       DT   9  14.334  12.791  -7.442
  479    H2'   DT   9           H2'       DT   9  15.241  13.011  -5.395
  480   H2''   DT   9          H2''       DT   9  16.085  14.412  -6.049
  481    H1'   DT   9           H1'       DT   9  14.536  15.961  -5.276
  482    H3    DT   9           H3        DT   9  15.295  16.500  -0.868
  483    H71   DT   9           H71       DT   9  14.265  11.841  -0.214
  484    H72   DT   9           H72       DT   9  14.609  11.166  -1.821
  485    H73   DT   9           H73       DT   9  15.934  11.698  -0.764
  486    H6    DT   9           H6        DT   9  14.237  12.643  -3.574
  487    H5'   DG  10           H5'       DG  10  15.258  17.323  -7.661
  488   H5''   DG  10          H5''       DG  10  16.195  17.615  -9.127
  489    H4'   DG  10           H4'       DG  10  16.797  19.301  -7.605
  490    H3'   DG  10           H3'       DG  10  18.747  17.582  -8.641
  491    H2'   DG  10           H2'       DG  10  19.038  16.367  -6.671
  492   H2''   DG  10          H2''       DG  10  20.248  17.619  -6.349
  493    H1'   DG  10           H1'       DG  10  18.723  18.946  -5.084
  494    H8    DG  10           H8        DG  10  17.960  15.196  -5.150
  495    H1    DG  10           H1        DG  10  19.005  17.698   0.700
  496    H21   DG  10           H21       DG  10  19.452  20.599  -1.074
  497    H22   DG  10           H22       DG  10  19.528  19.776   0.486
  498    H5'   DC  11           H5'       DC  11  20.069  21.515  -6.292
  499   H5''   DC  11          H5''       DC  11  21.231  22.322  -7.349
  500    H4'   DC  11           H4'       DC  11  21.685  22.975  -5.115
  501    H3'   DC  11           H3'       DC  11  23.661  21.830  -6.714
  502    H2'   DC  11           H2'       DC  11  23.807  19.790  -5.662
  503   H2''   DC  11          H2''       DC  11  24.887  20.630  -4.546
  504    H1'   DC  11           H1'       DC  11  23.248  21.038  -2.970
  505    H41   DC  11           H41       DC  11  21.162  14.766  -2.683
  506    H42   DC  11           H42       DC  11  21.420  15.372  -1.043
  507    H5    DC  11           H5        DC  11  21.592  16.149  -4.627
  508    H6    DC  11           H6        DC  11  22.238  18.439  -5.340
  509    H5'   DG  12           H5'       DG  12  25.474  23.184  -2.671
  510   H5''   DG  12          H5''       DG  12  27.114  23.830  -2.817
  511    H4'   DG  12           H4'       DG  12  27.095  22.219  -1.050
  512    H3'   DG  12           H3'       DG  12  28.484  21.269  -3.543
  513   HO3'   DG  12          H3T        DG  12  30.308  21.530  -2.135
  514    H2'   DG  12           H2'       DG  12  28.449  19.118  -2.897
  515   H2''   DG  12          H2''       DG  12  28.942  19.513  -1.229
  516    H1'   DG  12           H1'       DG  12  26.797  19.627  -0.454
  517    H8    DG  12           H8        DG  12  26.223  18.611  -4.114
  518    H1    DG  12           H1        DG  12  24.461  14.308   0.357
  519    H21   DG  12           H21       DG  12  25.799  16.650   2.501
  520    H22   DG  12           H22       DG  12  25.145  15.024   2.326
  521    H5'   DC  13           H5'       DC  13  24.430   7.650   5.506
  522   H5''   DC  13          H5''       DC  13  23.721   7.802   7.107
  523    H4'   DC  13           H4'       DC  13  25.192   9.660   6.708
  524    H3'   DC  13           H3'       DC  13  22.525   9.944   7.467
  525    H2'   DC  13           H2'       DC  13  21.742  10.814   5.452
  526   H2''   DC  13          H2''       DC  13  22.278  12.353   6.158
  527    H1'   DC  13           H1'       DC  13  24.392  12.252   5.140
  528    H41   DC  13           H41       DC  13  21.939  11.737  -0.976
  529    H42   DC  13           H42       DC  13  23.199  12.975  -0.978
  530    H5    DC  13           H5        DC  13  21.310  10.523   1.051
  531    H6    DC  13           H6        DC  13  21.873  10.223   3.401
  532   HO5'   DC  13          H5T        DC  13  22.160   7.147   5.483
  533    H5'   DG  14           H5'       DG  14  25.280  14.109   7.821
  534   H5''   DG  14          H5''       DG  14  24.905  14.539   9.488
  535    H4'   DG  14           H4'       DG  14  25.322  16.564   8.442
  536    H3'   DG  14           H3'       DG  14  22.811  16.173   9.562
  537    H2'   DG  14           H2'       DG  14  21.652  15.819   7.559
  538   H2''   DG  14          H2''       DG  14  21.493  17.559   7.588
  539    H1'   DG  14           H1'       DG  14  23.254  17.926   6.127
  540    H8    DG  14           H8        DG  14  21.753  14.423   5.948
  541    H1    DG  14           H1        DG  14  22.285  17.464   0.292
  542    H21   DG  14           H21       DG  14  23.714  19.927   2.215
  543    H22   DG  14           H22       DG  14  23.173  19.412   0.613
  544    H5'   DC  15           H5'       DC  15  23.452  20.252   7.589
  545   H5''   DC  15          H5''       DC  15  22.711  21.651   8.373
  546    H4'   DC  15           H4'       DC  15  22.379  21.721   5.976
  547    H3'   DC  15           H3'       DC  15  19.962  21.392   7.693
  548    H2'   DC  15           H2'       DC  15  18.742  20.427   6.075
  549   H2''   DC  15          H2''       DC  15  19.118  21.725   4.921
  550    H1'   DC  15           H1'       DC  15  20.907  20.681   4.010
  551    H41   DC  15           H41       DC  15  18.191  14.679   3.579
  552    H42   DC  15           H42       DC  15  18.305  15.415   1.974
  553    H5    DC  15           H5        DC  15  18.775  15.965   5.607
  554    H6    DC  15           H6        DC  15  19.750  18.116   6.362
  555    H5'   DA  16           H5'       DA  16  20.211  23.856   4.021
  556   H5''   DA  16          H5''       DA  16  19.606  25.503   4.183
  557    H4'   DA  16           H4'       DA  16  19.134  24.811   1.990
  558    H3'   DA  16           H3'       DA  16  17.002  25.510   3.737
  559    H2'   DA  16           H2'       DA  16  16.177  23.358   3.859
  560   H2''   DA  16          H2''       DA  16  15.254  23.854   2.437
  561    H1'   DA  16           H1'       DA  16  16.896  22.978   0.910
  562    H8    DA  16           H8        DA  16  16.889  21.327   4.346
  563    H61   DA  16           H61       DA  16  15.573  16.091   1.164
  564    H62   DA  16           H62       DA  16  16.059  16.686   2.744
  565    H2    DA  16           H2        DA  16  15.344  19.412  -1.598
  566    H5'   DT  17           H5'       DT  17  15.761  24.937  -0.680
  567   H5''   DT  17          H5''       DT  17  14.739  26.260  -1.235
  568    H4'   DT  17           H4'       DT  17  13.926  24.241  -2.188
  569    H3'   DT  17           H3'       DT  17  12.232  25.801  -0.475
  570    H2'   DT  17           H2'       DT  17  11.913  24.129   1.066
  571   H2''   DT  17          H2''       DT  17  10.701  23.519  -0.073
  572    H1'   DT  17           H1'       DT  17  12.268  22.104  -1.194
  573    H3    DT  17           H3        DT  17  12.698  18.279   1.184
  574    H71   DT  17           H71       DT  17  14.205  20.920   4.906
  575    H72   DT  17           H72       DT  17  13.388  22.473   4.582
  576    H73   DT  17           H73       DT  17  12.457  21.061   5.134
  577    H6    DT  17           H6        DT  17  13.059  22.925   2.375
  578    H5'   DA  18           H5'       DA  18  10.383  22.519  -2.873
  579   H5''   DA  18          H5''       DA  18   9.045  23.091  -3.870
  580    H4'   DA  18           H4'       DA  18   8.392  20.973  -3.222
  581    H3'   DA  18           H3'       DA  18   6.903  23.099  -1.864
  582    H2'   DA  18           H2'       DA  18   7.350  22.297   0.204
  583   H2''   DA  18          H2''       DA  18   6.079  21.108  -0.174
  584    H1'   DA  18           H1'       DA  18   7.636  19.506  -0.927
  585    H8    DA  18           H8        DA  18   8.903  21.914   1.787
  586    H61   DA  18           H61       DA  18  10.615  16.495   4.536
  587    H62   DA  18           H62       DA  18  10.504  18.224   4.872
  588    H2    DA  18           H2        DA  18   9.341  15.627   0.565
  589    H5'   DT  19           H5'       DT  19   5.667  18.778  -2.395
  590   H5''   DT  19          H5''       DT  19   4.126  18.743  -3.258
  591    H4'   DT  19           H4'       DT  19   3.834  16.970  -1.769
  592    H3'   DT  19           H3'       DT  19   2.294  19.293  -1.112
  593    H2'   DT  19           H2'       DT  19   3.650  19.875   0.669
  594   H2''   DT  19          H2''       DT  19   2.472  18.836   1.526
  595    H1'   DT  19           H1'       DT  19   3.821  16.844   1.115
  596    H3    DT  19           H3        DT  19   6.672  16.399   4.517
  597    H71   DT  19           H71       DT  19   7.580  21.107   4.359
  598    H72   DT  19           H72       DT  19   6.406  21.680   3.151
  599    H73   DT  19           H73       DT  19   5.890  21.267   4.809
  600    H6    DT  19           H6        DT  19   5.345  20.132   1.779
  601    H5'   DA  20           H5'       DA  20  -1.387  15.357  -0.122
  602   H5''   DA  20          H5''       DA  20  -0.121  16.173   0.772
  603    H4'   DA  20           H4'       DA  20   0.098  13.231   0.039
  604    H3'   DA  20           H3'       DA  20  -1.891  14.290   1.637
  605    H2'   DA  20           H2'       DA  20  -0.506  15.472   3.057
  606   H2''   DA  20          H2''       DA  20  -0.560  13.968   3.993
  607    H1'   DA  20           H1'       DA  20   1.488  13.171   3.147
  608    H8    DA  20           H8        DA  20   1.574  16.929   2.208
  609    H61   DA  20           H61       DA  20   4.934  17.619   7.405
  610    H62   DA  20           H62       DA  20   4.187  18.511   6.081
  611    H2    DA  20           H2        DA  20   3.816  13.466   7.131
  612    H5'   DT  21           H5'       DT  21   0.073  11.159   4.311
  613   H5''   DT  21          H5''       DT  21  -1.142   9.879   4.320
  614    H4'   DT  21           H4'       DT  21  -0.270   9.725   6.449
  615    H3'   DT  21           H3'       DT  21  -2.908  10.521   6.304
  616    H2'   DT  21           H2'       DT  21  -2.631  12.761   6.752
  617   H2''   DT  21          H2''       DT  21  -2.726  12.206   8.435
  618    H1'   DT  21           H1'       DT  21  -0.464  12.131   8.744
  619    H3    DT  21           H3        DT  21   1.705  16.031   9.031
  620    H71   DT  21           H71       DT  21  -1.813  16.397   4.873
  621    H72   DT  21           H72       DT  21  -1.495  17.787   5.931
  622    H73   DT  21           H73       DT  21  -0.263  17.283   4.772
  623    H6    DT  21           H6        DT  21  -1.551  14.343   5.887
  624    H5'   DG  22           H5'       DG  22  -1.224   9.798  10.582
  625   H5''   DG  22          H5''       DG  22  -2.416   8.944  11.581
  626    H4'   DG  22           H4'       DG  22  -1.348  10.546  12.967
  627    H3'   DG  22           H3'       DG  22  -4.169  10.821  12.502
  628    H2'   DG  22           H2'       DG  22  -3.938  12.866  11.437
  629   H2''   DG  22          H2''       DG  22  -3.944  13.492  13.103
  630    H1'   DG  22           H1'       DG  22  -1.548  13.394  13.248
  631    H8    DG  22           H8        DG  22  -2.991  14.074   9.758
  632    H1    DG  22           H1        DG  22   0.881  18.640  12.175
  633    H21   DG  22           H21       DG  22   1.084  16.448  14.821
  634    H22   DG  22           H22       DG  22   1.553  18.013  14.147
  635    H5'   DC  23           H5'       DC  23  -1.758  12.495  16.210
  636   H5''   DC  23          H5''       DC  23  -2.696  12.020  17.627
  637    H4'   DC  23           H4'       DC  23  -1.358  13.871  18.238
  638    H3'   DC  23           H3'       DC  23  -4.134  13.936  18.522
  639    H2'   DC  23           H2'       DC  23  -4.616  15.462  16.873
  640   H2''   DC  23          H2''       DC  23  -4.220  16.668  18.078
  641    H1'   DC  23           H1'       DC  23  -2.040  16.969  17.353
  642    H41   DC  23           H41       DC  23  -3.977  17.900  11.090
  643    H42   DC  23           H42       DC  23  -2.962  19.255  11.593
  644    H5    DC  23           H5        DC  23  -4.486  16.053  12.597
  645    H6    DC  23           H6        DC  23  -4.010  15.158  14.867
  646    H5'   DG  24           H5'       DG  24  -2.311  17.709  20.466
  647   H5''   DG  24          H5''       DG  24  -3.164  18.209  21.930
  648    H4'   DG  24           H4'       DG  24  -2.938  20.113  20.517
  649    H3'   DG  24           H3'       DG  24  -5.748  19.026  20.557
  650   HO3'   DG  24          H3T        DG  24  -6.043  20.969  21.801
  651    H2'   DG  24           H2'       DG  24  -6.354  20.246  18.772
  652   H2''   DG  24          H2''       DG  24  -5.510  21.710  19.363
  653    H1'   DG  24           H1'       DG  24  -3.580  21.237  18.237
  654    H8    DG  24           H8        DG  24  -5.830  18.353  17.076
  655    H1    DG  24           H1        DG  24  -4.232  22.741  12.615
  656    H21   DG  24           H21       DG  24  -2.567  24.163  15.287
  657    H22   DG  24           H22       DG  24  -3.069  24.338  13.603
  Start of MODEL    7
    1    H    ALA  79           H1       ALA  79  -1.706   6.066   9.054
    2    HA   ALA  79           HA       ALA  79   1.209   5.621   9.378
    3    HB1  ALA  79           HB1      ALA  79  -0.070   3.527   9.240
    4    HB2  ALA  79           HB2      ALA  79  -0.983   4.149   7.851
    5    HB3  ALA  79           HB3      ALA  79   0.765   3.803   7.696
    6    H    ARG  80           H        ARG  80   2.464   5.900   7.508
    7    HA   ARG  80           HA       ARG  80   1.885   8.204   5.858
    8    HB2  ARG  80           HB2      ARG  80   4.106   6.136   5.803
    9    HB3  ARG  80           HB3      ARG  80   4.080   7.558   4.754
   10    HG2  ARG  80           HG2      ARG  80   3.791   7.847   7.759
   11    HG3  ARG  80           HG3      ARG  80   5.387   7.687   7.022
   12    HD2  ARG  80           HD2      ARG  80   5.200   9.741   5.874
   13    HD3  ARG  80           HD3      ARG  80   3.446   9.775   6.029
   14    HE   ARG  80           HE       ARG  80   5.449  10.463   8.118
   15   HH11  ARG  80          HH12      ARG  80   2.005  10.357   7.295
   16   HH12  ARG  80          HH11      ARG  80   1.634  11.398   8.638
   17   HH21  ARG  80          HH22      ARG  80   4.729  11.951   9.663
   18   HH22  ARG  80          HH21      ARG  80   3.010  12.145   9.917
   19    H    LYS  81           H        LYS  81  -0.268   7.115   5.250
   20    HA   LYS  81           HA       LYS  81  -0.666   5.184   3.279
   21    HB2  LYS  81           HB2      LYS  81  -2.163   7.718   4.071
   22    HB3  LYS  81           HB3      LYS  81  -2.797   6.591   2.885
   23    HG2  LYS  81           HG2      LYS  81  -3.287   4.958   4.414
   24    HG3  LYS  81           HG3      LYS  81  -2.001   5.419   5.543
   25    HD2  LYS  81           HD2      LYS  81  -3.215   7.351   6.302
   26    HD3  LYS  81           HD3      LYS  81  -4.496   7.116   5.094
   27    HE2  LYS  81           HE2      LYS  81  -5.235   5.067   6.116
   28    HE3  LYS  81           HE3      LYS  81  -3.807   4.982   7.158
   29    HZ1  LYS  81           HZ1      LYS  81  -5.863   7.129   7.362
   30    HZ2  LYS  81           HZ2      LYS  81  -5.806   5.816   8.340
   31    HZ3  LYS  81           HZ3      LYS  81  -4.584   6.909   8.364
   32    H    VAL  82           H        VAL  82  -0.474   5.097   1.306
   33    HA   VAL  82           HA       VAL  82   0.743   7.102  -0.432
   34    HB   VAL  82           HB       VAL  82  -0.555   4.414  -1.029
   35   HG11  VAL  82          HG11      VAL  82   0.985   6.282  -2.877
   36   HG12  VAL  82          HG12      VAL  82   0.748   4.550  -3.193
   37   HG13  VAL  82          HG13      VAL  82  -0.657   5.602  -3.073
   38   HG21  VAL  82          HG21      VAL  82   1.692   3.548  -1.204
   39   HG22  VAL  82          HG22      VAL  82   2.379   5.154  -0.874
   40   HG23  VAL  82          HG23      VAL  82   1.460   4.287   0.389
   41    H    LYS  83           H        LYS  83  -0.209   8.551  -1.728
   42    HA   LYS  83           HA       LYS  83  -3.097   8.271  -2.391
   43    HB2  LYS  83           HB2      LYS  83  -1.380  10.705  -1.975
   44    HB3  LYS  83           HB3      LYS  83  -2.548  10.727  -3.316
   45    HG2  LYS  83           HG2      LYS  83  -4.397  10.203  -1.880
   46    HG3  LYS  83           HG3      LYS  83  -3.333  10.109  -0.456
   47    HD2  LYS  83           HD2      LYS  83  -2.818  12.472  -0.576
   48    HD3  LYS  83           HD3      LYS  83  -3.474  12.591  -2.210
   49    HE2  LYS  83           HE2      LYS  83  -5.056  13.643  -0.792
   50    HE3  LYS  83           HE3      LYS  83  -5.755  12.137  -1.379
   51    HZ1  LYS  83           HZ1      LYS  83  -5.060  11.145   0.840
   52    HZ2  LYS  83           HZ2      LYS  83  -4.612  12.619   1.349
   53    HZ3  LYS  83           HZ3      LYS  83  -6.182  12.341   0.991
   54    H    GLN  84           H        GLN  84  -3.507   7.724  -4.416
   55    HA   GLN  84           HA       GLN  84  -1.322   7.675  -6.400
   56    HB2  GLN  84           HB2      GLN  84  -2.285   5.697  -6.891
   57    HB3  GLN  84           HB3      GLN  84  -3.789   6.069  -6.029
   58    HG2  GLN  84           HG2      GLN  84  -4.569   7.335  -7.968
   59    HG3  GLN  84           HG3      GLN  84  -3.049   6.978  -8.842
   60   HE21  GLN  84          HE22      GLN  84  -2.575   4.527  -9.147
   61   HE22  GLN  84          HE21      GLN  84  -3.979   3.506  -9.396
   62    H    TYR  85           H        TYR  85  -1.550   9.000  -8.150
   63    HA   TYR  85           HA       TYR  85  -3.856  10.911  -8.239
   64    HB2  TYR  85           HB2      TYR  85  -0.939  11.606  -8.789
   65    HB3  TYR  85           HB3      TYR  85  -2.314  12.697  -8.915
   66    HD1  TYR  85           HD2      TYR  85  -3.496  13.503  -6.917
   67    HD2  TYR  85           HD1      TYR  85   0.113  11.169  -6.626
   68    HE1  TYR  85           HE2      TYR  85  -3.141  14.367  -4.607
   69    HE2  TYR  85           HE1      TYR  85   0.476  12.006  -4.317
   70    HH   TYR  85           HH       TYR  85  -0.266  13.504  -2.668
   71    H    LYS  86           H        LYS  86  -4.652  11.219 -10.337
   72    HA   LYS  86           HA       LYS  86  -3.180  10.012 -12.645
   73    HB2  LYS  86           HB2      LYS  86  -4.822   8.377 -11.934
   74    HB3  LYS  86           HB3      LYS  86  -6.096   9.596 -11.845
   75    HG2  LYS  86           HG2      LYS  86  -6.155   9.883 -14.235
   76    HG3  LYS  86           HG3      LYS  86  -4.676   8.944 -14.462
   77    HD2  LYS  86           HD2      LYS  86  -5.861   6.922 -13.548
   78    HD3  LYS  86           HD3      LYS  86  -7.346   7.896 -13.426
   79    HE2  LYS  86           HE2      LYS  86  -7.215   8.334 -15.893
   80    HE3  LYS  86           HE3      LYS  86  -5.766   7.317 -15.980
   81    HZ1  LYS  86           HZ1      LYS  86  -7.772   6.066 -16.589
   82    HZ2  LYS  86           HZ2      LYS  86  -7.132   5.426 -15.235
   83    HZ3  LYS  86           HZ3      LYS  86  -8.470   6.362 -15.142
   84    H    ASN  87           H        ASN  87  -3.220  11.228 -14.457
   85    HA   ASN  87           HA       ASN  87  -4.445  13.932 -14.170
   86    HB2  ASN  87           HB2      ASN  87  -2.068  13.702 -14.328
   87    HB3  ASN  87           HB3      ASN  87  -2.189  12.932 -15.910
   88   HD21  ASN  87          HD21      ASN  87  -0.777  15.400 -15.185
   89   HD22  ASN  87          HD22      ASN  87  -1.580  16.686 -16.079
   90    HA   PRO  88           HA       PRO  88  -7.561  12.673 -17.274
   91    HB2  PRO  88           HB2      PRO  88  -8.106  15.629 -16.961
   92    HB3  PRO  88           HB3      PRO  88  -9.273  14.281 -17.075
   93    HG2  PRO  88           HG2      PRO  88  -8.688  15.373 -14.663
   94    HG3  PRO  88           HG3      PRO  88  -8.796  13.593 -14.829
   95    HD2  PRO  88           HD2      PRO  88  -6.320  15.325 -14.770
   96    HD3  PRO  88           HD3      PRO  88  -6.651  13.769 -13.950
   97    H    HIS  89           H        HIS  89  -5.205  15.309 -17.560
   98    HA   HIS  89           HA       HIS  89  -5.829  15.865 -20.378
   99    HB2  HIS  89           HB2      HIS  89  -3.636  16.986 -18.597
  100    HB3  HIS  89           HB3      HIS  89  -4.167  17.632 -20.143
  101    HD1  HIS  89           HD1      HIS  89  -6.748  18.691 -20.153
  102    HD2  HIS  89           HD2      HIS  89  -4.957  17.761 -16.440
  103    HE1  HIS  89           HE1      HIS  89  -8.131  19.910 -18.350
  104    HE2  HIS  89           HE2      HIS  89  -7.033  19.343 -16.093
  105    H    THR  90           H        THR  90  -3.577  13.793 -18.734
  106    HA   THR  90           HA       THR  90  -2.030  13.366 -21.274
  107    HB   THR  90           HB       THR  90  -0.075  12.957 -19.917
  108    HG1  THR  90           HG1      THR  90  -0.242  13.219 -17.647
  109   HG21  THR  90          HG21      THR  90  -0.611  15.392 -20.357
  110   HG22  THR  90          HG22      THR  90  -1.424  15.439 -18.773
  111   HG23  THR  90          HG23      THR  90   0.320  15.115 -18.867
  112    H    GLY  91           H        GLY  91  -3.776  11.769 -18.674
  113    HA2  GLY  91           HA2      GLY  91  -4.413   9.562 -18.464
  114    HA3  GLY  91           HA3      GLY  91  -3.526   9.135 -19.929
  115    H    GLU  92           H        GLU  92  -1.548  10.867 -17.640
  116    HA   GLU  92           HA       GLU  92  -0.046   8.469 -16.963
  117    HB2  GLU  92           HB2      GLU  92   0.377  11.427 -16.561
  118    HB3  GLU  92           HB3      GLU  92   1.320  10.251 -15.648
  119    HG2  GLU  92           HG2      GLU  92   1.154  10.022 -18.638
  120    HG3  GLU  92           HG3      GLU  92   2.268  11.166 -17.855
  121    H    VAL  93           H        VAL  93   0.404   7.953 -14.912
  122    HA   VAL  93           HA       VAL  93  -1.320   8.836 -12.656
  123    HB   VAL  93           HB       VAL  93  -0.540   6.012 -13.306
  124   HG11  VAL  93          HG11      VAL  93  -2.349   5.378 -11.666
  125   HG12  VAL  93          HG12      VAL  93  -1.038   6.236 -10.887
  126   HG13  VAL  93          HG13      VAL  93  -2.558   7.083 -11.258
  127   HG21  VAL  93          HG21      VAL  93  -3.173   7.444 -13.809
  128   HG22  VAL  93          HG22      VAL  93  -2.114   6.708 -15.021
  129   HG23  VAL  93          HG23      VAL  93  -2.995   5.671 -13.886
  130    H    ILE  94           H        ILE  94  -0.437   8.450 -10.641
  131    HA   ILE  94           HA       ILE  94   2.382   7.702 -10.258
  132    HB   ILE  94           HB       ILE  94   1.826   9.981  -8.573
  133   HG12  ILE  94          HG12      ILE  94   1.872  10.823 -11.493
  134   HG13  ILE  94          HG13      ILE  94   0.434  10.840 -10.456
  135   HG21  ILE  94          HG21      ILE  94   4.018  10.664  -9.167
  136   HG22  ILE  94          HG22      ILE  94   4.042   8.912  -9.101
  137   HG23  ILE  94          HG23      ILE  94   3.978   9.730 -10.689
  138   HD11  ILE  94          HD11      ILE  94   2.955  12.453 -10.027
  139   HD12  ILE  94          HD12      ILE  94   1.342  13.051 -10.457
  140   HD13  ILE  94          HD13      ILE  94   1.623  12.322  -8.853
  141    H    GLU  95           H        GLU  95   2.864   7.634  -7.953
  142    HA   GLU  95           HA       GLU  95   0.696   7.369  -5.980
  143    HB2  GLU  95           HB2      GLU  95   2.541   5.168  -6.929
  144    HB3  GLU  95           HB3      GLU  95   1.928   5.176  -5.252
  145    HG2  GLU  95           HG2      GLU  95  -0.356   5.088  -6.007
  146    HG3  GLU  95           HG3      GLU  95   0.128   5.229  -7.699
  147    H    THR  96           H        THR  96   1.385   8.560  -4.283
  148    HA   THR  96           HA       THR  96   4.194   8.346  -3.353
  149    HB   THR  96           HB       THR  96   4.876  10.432  -3.736
  150    HG1  THR  96           HG1      THR  96   3.637  12.258  -3.411
  151   HG21  THR  96          HG21      THR  96   4.040   9.985  -6.053
  152   HG22  THR  96          HG22      THR  96   2.474  10.712  -5.597
  153   HG23  THR  96          HG23      THR  96   3.963  11.695  -5.630
  154    H    LYS  97           H        LYS  97   4.460   8.934  -1.131
  155    HA   LYS  97           HA       LYS  97   1.934   8.951   0.472
  156    HB2  LYS  97           HB2      LYS  97   4.798   8.744   1.368
  157    HB3  LYS  97           HB3      LYS  97   3.383   8.368   2.338
  158    HG2  LYS  97           HG2      LYS  97   2.935   6.355   1.089
  159    HG3  LYS  97           HG3      LYS  97   4.081   6.791  -0.180
  160    HD2  LYS  97           HD2      LYS  97   5.890   6.753   1.627
  161    HD3  LYS  97           HD3      LYS  97   4.736   5.884   2.639
  162    HE2  LYS  97           HE2      LYS  97   4.865   3.967   1.328
  163    HE3  LYS  97           HE3      LYS  97   5.045   4.888  -0.168
  164    HZ1  LYS  97           HZ1      LYS  97   7.342   5.364   0.398
  165    HZ2  LYS  97           HZ2      LYS  97   7.241   4.501   1.804
  166    HZ3  LYS  97           HZ3      LYS  97   7.107   3.742   0.362
  167    H    GLY  98           H        GLY  98   3.496  11.276  -1.009
  168    HA2  GLY  98           HA2      GLY  98   2.881  13.618  -0.270
  169    HA3  GLY  98           HA3      GLY  98   3.758  13.240   1.215
  170    H    GLY  99           H        GLY  99   4.902  15.152   0.597
  171    HA2  GLY  99           HA2      GLY  99   6.891  16.089   0.240
  172    HA3  GLY  99           HA3      GLY  99   7.496  14.517  -0.256
  173    H    ASN 100           H        ASN 100   8.577  16.697  -1.193
  174    HA   ASN 100           HA       ASN 100   7.977  17.610  -3.807
  175    HB2  ASN 100           HB2      ASN 100   9.642  18.718  -2.507
  176    HB3  ASN 100           HB3      ASN 100  10.409  17.221  -2.060
  177   HD21  ASN 100          HD22      ASN 100  12.261  18.615  -2.530
  178   HD22  ASN 100          HD21      ASN 100  12.983  18.241  -4.082
  179    H    HIS 101           H        HIS 101   7.250  16.115  -5.246
  180    HA   HIS 101           HA       HIS 101   9.120  13.963  -6.120
  181    HB2  HIS 101           HB2      HIS 101   7.198  13.087  -4.728
  182    HB3  HIS 101           HB3      HIS 101   6.087  13.676  -5.949
  183    HD1  HIS 101           HD1      HIS 101   9.028  11.086  -5.612
  184    HD2  HIS 101           HD2      HIS 101   5.698  12.090  -8.039
  185    HE1  HIS 101           HE1      HIS 101   8.750   9.183  -7.295
  186    HE2  HIS 101           HE2      HIS 101   6.745   9.782  -8.781
  187    H    LYS 102           H        LYS 102   9.521  13.948  -8.284
  188    HA   LYS 102           HA       LYS 102   9.289  16.269  -9.738
  189    HB2  LYS 102           HB2      LYS 102  10.872  14.402 -10.058
  190    HB3  LYS 102           HB3      LYS 102   9.666  13.588 -11.070
  191    HG2  LYS 102           HG2      LYS 102   9.564  15.547 -12.566
  192    HG3  LYS 102           HG3      LYS 102  10.635  16.471 -11.504
  193    HD2  LYS 102           HD2      LYS 102  11.402  13.917 -12.929
  194    HD3  LYS 102           HD3      LYS 102  11.732  15.562 -13.516
  195    HE2  LYS 102           HE2      LYS 102  13.045  16.030 -11.445
  196    HE3  LYS 102           HE3      LYS 102  12.779  14.373 -10.901
  197    HZ1  LYS 102           HZ1      LYS 102  14.295  15.173 -13.332
  198    HZ2  LYS 102           HZ2      LYS 102  14.903  14.549 -11.933
  199    HZ3  LYS 102           HZ3      LYS 102  13.981  13.613 -12.909
  200    H    THR 103           H        THR 103   7.392  13.433 -10.957
  201    HA   THR 103           HA       THR 103   5.938  14.952 -12.820
  202    HB   THR 103           HB       THR 103   4.923  12.446 -11.449
  203    HG1  THR 103           HG1      THR 103   5.998  11.427 -13.196
  204   HG21  THR 103          HG21      THR 103   3.866  12.160 -13.799
  205   HG22  THR 103          HG22      THR 103   3.167  13.405 -12.759
  206   HG23  THR 103          HG23      THR 103   4.288  13.884 -14.049
  207    H    LEU 104           H        LEU 104   5.058  14.230  -9.456
  208    HA   LEU 104           HA       LEU 104   2.448  15.355  -9.453
  209    HB2  LEU 104           HB2      LEU 104   3.413  13.828  -7.741
  210    HB3  LEU 104           HB3      LEU 104   4.524  15.094  -7.225
  211    HG   LEU 104           HG       LEU 104   2.671  16.450  -6.402
  212   HD11  LEU 104          HD11      LEU 104   0.901  14.121  -7.281
  213   HD12  LEU 104          HD12      LEU 104   0.378  15.471  -6.265
  214   HD13  LEU 104          HD13      LEU 104   0.862  15.769  -7.941
  215   HD21  LEU 104          HD21      LEU 104   2.499  13.573  -5.421
  216   HD22  LEU 104          HD22      LEU 104   3.722  14.773  -4.911
  217   HD23  LEU 104          HD23      LEU 104   2.013  15.019  -4.529
  218    H    LYS 105           H        LYS 105   5.659  16.890  -8.987
  219    HA   LYS 105           HA       LYS 105   4.573  19.499  -8.344
  220    HB2  LYS 105           HB2      LYS 105   6.846  18.818  -7.655
  221    HB3  LYS 105           HB3      LYS 105   7.326  18.624  -9.332
  222    HG2  LYS 105           HG2      LYS 105   8.227  20.698  -8.454
  223    HG3  LYS 105           HG3      LYS 105   7.094  21.019  -9.751
  224    HD2  LYS 105           HD2      LYS 105   6.714  22.667  -8.095
  225    HD3  LYS 105           HD3      LYS 105   5.334  21.575  -7.997
  226    HE2  LYS 105           HE2      LYS 105   6.494  20.403  -6.053
  227    HE3  LYS 105           HE3      LYS 105   7.798  21.594  -6.184
  228    HZ1  LYS 105           HZ1      LYS 105   4.977  22.092  -5.368
  229    HZ2  LYS 105           HZ2      LYS 105   6.301  22.362  -4.510
  230    HZ3  LYS 105           HZ3      LYS 105   5.995  23.339  -5.795
  231    H    GLU 106           H        GLU 106   5.386  17.896 -11.446
  232    HA   GLU 106           HA       GLU 106   5.243  20.326 -12.972
  233    HB2  GLU 106           HB2      GLU 106   4.537  17.570 -13.996
  234    HB3  GLU 106           HB3      GLU 106   5.111  18.981 -14.924
  235    HG2  GLU 106           HG2      GLU 106   7.256  18.751 -13.472
  236    HG3  GLU 106           HG3      GLU 106   6.557  17.175 -13.022
  237    H    TRP 107           H        TRP 107   2.934  17.779 -12.189
  238    HA   TRP 107           HA       TRP 107   0.710  18.908 -13.591
  239    HB2  TRP 107           HB2      TRP 107   0.692  17.238 -11.059
  240    HB3  TRP 107           HB3      TRP 107  -0.709  17.582 -12.084
  241    HD1  TRP 107           HD1      TRP 107   2.076  16.808 -14.380
  242    HE1  TRP 107           HE1      TRP 107   1.993  14.369 -15.130
  243    HE3  TRP 107           HE3      TRP 107  -1.391  15.029 -11.045
  244    HZ2  TRP 107           HZ2      TRP 107   0.807  11.925 -14.250
  245    HZ3  TRP 107           HZ3      TRP 107  -2.044  12.642 -11.108
  246    HH2  TRP 107           HH2      TRP 107  -0.918  11.071 -12.676
  247    H    LYS 108           H        LYS 108   1.844  19.618 -10.279
  248    HA   LYS 108           HA       LYS 108  -0.289  21.480  -9.640
  249    HB2  LYS 108           HB2      LYS 108   2.572  21.248  -8.605
  250    HB3  LYS 108           HB3      LYS 108   1.388  22.414  -7.996
  251    HG2  LYS 108           HG2      LYS 108  -0.157  20.508  -7.455
  252    HG3  LYS 108           HG3      LYS 108   1.132  19.384  -7.894
  253    HD2  LYS 108           HD2      LYS 108   2.632  20.574  -6.225
  254    HD3  LYS 108           HD3      LYS 108   1.219  21.521  -5.716
  255    HE2  LYS 108           HE2      LYS 108   0.038  19.284  -5.246
  256    HE3  LYS 108           HE3      LYS 108   1.560  18.481  -5.627
  257    HZ1  LYS 108           HZ1      LYS 108   1.581  18.728  -3.330
  258    HZ2  LYS 108           HZ2      LYS 108   2.557  19.987  -3.833
  259    HZ3  LYS 108           HZ3      LYS 108   1.027  20.284  -3.346
  260    H    ALA 109           H        ALA 109   2.811  21.860 -11.401
  261    HA   ALA 109           HA       ALA 109   2.722  24.717 -11.524
  262    HB1  ALA 109           HB1      ALA 109   4.754  23.267 -11.939
  263    HB2  ALA 109           HB2      ALA 109   4.012  22.742 -13.471
  264    HB3  ALA 109           HB3      ALA 109   4.431  24.438 -13.254
  265    H    LYS 110           H        LYS 110   1.866  22.137 -13.808
  266    HA   LYS 110           HA       LYS 110   1.095  23.759 -15.862
  267    HB2  LYS 110           HB2      LYS 110   0.833  20.826 -15.274
  268    HB3  LYS 110           HB3      LYS 110   0.178  21.485 -16.792
  269    HG2  LYS 110           HG2      LYS 110   2.397  22.378 -17.392
  270    HG3  LYS 110           HG3      LYS 110   3.072  21.802 -15.867
  271    HD2  LYS 110           HD2      LYS 110   3.731  20.189 -17.473
  272    HD3  LYS 110           HD3      LYS 110   2.410  19.451 -16.572
  273    HE2  LYS 110           HE2      LYS 110   1.916  18.929 -18.821
  274    HE3  LYS 110           HE3      LYS 110   0.841  20.283 -18.452
  275    HZ1  LYS 110           HZ1      LYS 110   1.966  20.570 -20.604
  276    HZ2  LYS 110           HZ2      LYS 110   2.435  21.767 -19.599
  277    HZ3  LYS 110           HZ3      LYS 110   3.441  20.507 -19.910
  278    H    TRP 111           H        TRP 111  -0.935  22.200 -13.427
  279    HA   TRP 111           HA       TRP 111  -3.367  23.572 -14.548
  280    HB2  TRP 111           HB2      TRP 111  -3.239  20.759 -13.430
  281    HB3  TRP 111           HB3      TRP 111  -4.690  21.598 -13.975
  282    HD1  TRP 111           HD1      TRP 111  -4.900  22.079 -16.648
  283    HE1  TRP 111           HE1      TRP 111  -3.939  20.853 -18.688
  284    HE3  TRP 111           HE3      TRP 111  -1.296  19.365 -14.297
  285    HZ2  TRP 111           HZ2      TRP 111  -1.822  18.937 -19.228
  286    HZ3  TRP 111           HZ3      TRP 111   0.277  17.928 -15.606
  287    HH2  TRP 111           HH2      TRP 111  -0.020  17.657 -18.049
  288    H    GLY 112           H        GLY 112  -2.088  22.054 -11.520
  289    HA2  GLY 112           HA2      GLY 112  -1.954  23.994  -9.803
  290    HA3  GLY 112           HA3      GLY 112  -3.698  24.037  -9.930
  291    HA   PRO 113           HA       PRO 113  -2.171  20.766  -6.753
  292    HB2  PRO 113           HB2      PRO 113  -2.530  22.176  -4.391
  293    HB3  PRO 113           HB3      PRO 113  -0.986  21.977  -5.254
  294    HG2  PRO 113           HG2      PRO 113  -2.910  24.298  -5.360
  295    HG3  PRO 113           HG3      PRO 113  -1.117  24.328  -5.247
  296    HD2  PRO 113           HD2      PRO 113  -2.429  24.741  -7.595
  297    HD3  PRO 113           HD3      PRO 113  -0.881  23.843  -7.537
  298    H    GLU 114           H        GLU 114  -4.868  23.128  -6.682
  299    HA   GLU 114           HA       GLU 114  -6.708  21.615  -5.125
  300    HB2  GLU 114           HB2      GLU 114  -7.423  23.319  -7.520
  301    HB3  GLU 114           HB3      GLU 114  -8.369  22.983  -6.045
  302    HG2  GLU 114           HG2      GLU 114  -6.568  24.266  -4.768
  303    HG3  GLU 114           HG3      GLU 114  -5.898  24.702  -6.355
  304    H    ALA 115           H        ALA 115  -6.113  21.751  -8.562
  305    HA   ALA 115           HA       ALA 115  -8.019  19.868  -9.495
  306    HB1  ALA 115           HB1      ALA 115  -6.604  21.566 -10.818
  307    HB2  ALA 115           HB2      ALA 115  -5.271  20.369 -10.731
  308    HB3  ALA 115           HB3      ALA 115  -6.780  19.941 -11.542
  309    H    VAL 116           H        VAL 116  -4.538  19.545  -8.898
  310    HA   VAL 116           HA       VAL 116  -4.220  16.901  -9.413
  311    HB   VAL 116           HB       VAL 116  -2.725  18.870  -7.689
  312   HG11  VAL 116          HG11      VAL 116  -2.072  16.698  -6.731
  313   HG12  VAL 116          HG12      VAL 116  -1.688  16.096  -8.358
  314   HG13  VAL 116          HG13      VAL 116  -0.766  17.444  -7.643
  315   HG21  VAL 116          HG21      VAL 116  -2.868  19.108 -10.210
  316   HG22  VAL 116          HG22      VAL 116  -1.214  18.903  -9.594
  317   HG23  VAL 116          HG23      VAL 116  -2.079  17.532 -10.339
  318    H    GLU 117           H        GLU 117  -4.873  18.351  -6.189
  319    HA   GLU 117           HA       GLU 117  -4.908  15.824  -4.766
  320    HB2  GLU 117           HB2      GLU 117  -6.107  18.564  -4.138
  321    HB3  GLU 117           HB3      GLU 117  -6.175  17.180  -3.048
  322    HG2  GLU 117           HG2      GLU 117  -3.701  17.079  -2.991
  323    HG3  GLU 117           HG3      GLU 117  -3.605  18.482  -4.054
  324    H    SER 118           H        SER 118  -7.399  17.673  -6.547
  325    HA   SER 118           HA       SER 118  -9.659  16.155  -5.532
  326    HB2  SER 118           HB2      SER 118  -9.422  17.771  -8.100
  327    HB3  SER 118           HB3      SER 118 -10.914  17.106  -7.423
  328    HG   SER 118           HG       SER 118  -9.225  19.122  -6.377
  329    H    TRP 119           H        TRP 119  -7.421  15.681  -8.239
  330    HA   TRP 119           HA       TRP 119  -8.839  13.433  -9.394
  331    HB2  TRP 119           HB2      TRP 119  -5.878  14.042  -9.585
  332    HB3  TRP 119           HB3      TRP 119  -6.869  13.082 -10.671
  333    HD1  TRP 119           HD1      TRP 119  -9.167  15.492 -10.909
  334    HE1  TRP 119           HE1      TRP 119  -8.649  17.426 -12.509
  335    HE3  TRP 119           HE3      TRP 119  -4.098  14.870 -11.332
  336    HZ2  TRP 119           HZ2      TRP 119  -6.334  18.593 -13.768
  337    HZ3  TRP 119           HZ3      TRP 119  -2.765  16.388 -12.780
  338    HH2  TRP 119           HH2      TRP 119  -3.866  18.253 -13.992
  339    H    ALA 120           H        ALA 120  -7.067  13.585  -6.397
  340    HA   ALA 120           HA       ALA 120  -5.621  11.193  -6.697
  341    HB1  ALA 120           HB1      ALA 120  -4.903  11.501  -4.476
  342    HB2  ALA 120           HB2      ALA 120  -5.155  13.151  -5.103
  343    HB3  ALA 120           HB3      ALA 120  -6.361  12.418  -4.028
  344    H    THR 121           H        THR 121  -5.631   9.594  -5.198
  345    HA   THR 121           HA       THR 121  -8.153   8.109  -4.408
  346    HB   THR 121           HB       THR 121  -5.817   7.116  -6.064
  347    HG1  THR 121           HG1      THR 121  -7.427   6.875  -7.705
  348   HG21  THR 121          HG21      THR 121  -8.375   5.860  -5.013
  349   HG22  THR 121          HG22      THR 121  -7.419   5.101  -6.317
  350   HG23  THR 121          HG23      THR 121  -6.710   5.305  -4.707
  351    H    LEU 122           H        LEU 122  -7.810   6.796  -2.625
  352    HA   LEU 122           HA       LEU 122  -5.176   7.153  -1.219
  353    HB2  LEU 122           HB2      LEU 122  -7.424   8.110  -0.358
  354    HB3  LEU 122           HB3      LEU 122  -7.802   6.456   0.105
  355    HG   LEU 122           HG       LEU 122  -5.371   8.083   1.001
  356   HD11  LEU 122          HD11      LEU 122  -7.866   7.247   2.543
  357   HD12  LEU 122          HD12      LEU 122  -6.504   8.201   3.176
  358   HD13  LEU 122          HD13      LEU 122  -7.547   8.879   1.918
  359   HD21  LEU 122          HD21      LEU 122  -6.257   5.279   1.765
  360   HD22  LEU 122          HD22      LEU 122  -4.661   5.845   1.190
  361   HD23  LEU 122          HD23      LEU 122  -5.208   6.261   2.804
  362    H    LEU 123           H        LEU 123  -3.944   5.497  -0.979
  363    HA   LEU 123           HA       LEU 123  -4.932   2.711  -1.418
  364    HB2  LEU 123           HB2      LEU 123  -2.310   4.028  -2.248
  365    HB3  LEU 123           HB3      LEU 123  -2.737   2.331  -2.484
  366    HG   LEU 123           HG       LEU 123  -4.105   4.755  -3.749
  367   HD11  LEU 123          HD11      LEU 123  -2.266   2.576  -4.832
  368   HD12  LEU 123          HD12      LEU 123  -3.098   3.783  -5.824
  369   HD13  LEU 123          HD13      LEU 123  -1.886   4.296  -4.623
  370   HD21  LEU 123          HD21      LEU 123  -4.599   1.766  -4.173
  371   HD22  LEU 123          HD22      LEU 123  -5.751   2.922  -3.476
  372   HD23  LEU 123          HD23      LEU 123  -5.276   3.080  -5.171
  373    H    GLY 124           H        GLY 124  -4.585   1.327   0.085
  374    HA2  GLY 124           HA2      GLY 124  -3.389   2.092   2.620
  375    HA3  GLY 124           HA3      GLY 124  -4.180   0.564   2.242
  376    H    HIS 125           H        HIS 125  -2.056   0.453  -0.107
  377    HA   HIS 125           HA       HIS 125   0.450  -0.125   1.285
  378    HB2  HIS 125           HB2      HIS 125   0.519  -2.496   0.518
  379    HB3  HIS 125           HB3      HIS 125  -0.651  -2.183   1.785
  380    HD1  HIS 125           HD1      HIS 125  -1.399  -1.614  -1.946
  381    HD2  HIS 125           HD2      HIS 125  -2.337  -4.154   1.285
  382    HE1  HIS 125           HE1      HIS 125  -3.325  -3.174  -2.766
  383    HE2  HIS 125           HE2      HIS 125  -3.882  -4.708  -0.767
  384    H5'   DC   1           H5'       DC   1  -5.591  28.666   8.464
  385   H5''   DC   1          H5''       DC   1  -4.305  29.553   7.656
  386    H4'   DC   1           H4'       DC   1  -3.819  29.458   9.999
  387    H3'   DC   1           H3'       DC   1  -2.058  28.496   8.049
  388    H2'   DC   1           H2'       DC   1  -2.007  26.316   8.576
  389   H2''   DC   1          H2''       DC   1  -0.945  26.757   9.896
  390    H1'   DC   1           H1'       DC   1  -2.586  26.788  11.497
  391    H41   DC   1           H41       DC   1  -5.286  21.037   9.617
  392    H42   DC   1           H42       DC   1  -5.039  21.008  11.367
  393    H5    DC   1           H5        DC   1  -4.666  23.012   8.254
  394    H6    DC   1           H6        DC   1  -3.790  25.266   8.399
  395   HO5'   DC   1          H5T        DC   1  -4.933  27.642   6.469
  396    H5'   DG   2           H5'       DG   2  -0.395  28.828  12.491
  397   H5''   DG   2          H5''       DG   2   1.151  29.676  12.443
  398    H4'   DG   2           H4'       DG   2   1.347  28.090  14.155
  399    H3'   DG   2           H3'       DG   2   3.096  27.908  11.954
  400    H2'   DG   2           H2'       DG   2   2.141  25.979  11.092
  401   H2''   DG   2          H2''       DG   2   3.300  25.196  12.183
  402    H1'   DG   2           H1'       DG   2   1.694  24.988  13.939
  403    H8    DG   2           H8        DG   2   0.265  25.053  10.388
  404    H1    DG   2           H1        DG   2  -1.235  19.823  13.837
  405    H21   DG   2           H21       DG   2   0.636  21.389  16.255
  406    H22   DG   2           H22       DG   2  -0.290  19.960  15.782
  407    H5'   DC   3           H5'       DC   3   3.874  25.390  15.852
  408   H5''   DC   3          H5''       DC   3   5.589  25.430  16.266
  409    H4'   DC   3           H4'       DC   3   4.643  23.340  16.965
  410    H3'   DC   3           H3'       DC   3   6.796  23.417  15.003
  411    H2'   DC   3           H2'       DC   3   5.999  21.860  13.578
  412   H2''   DC   3          H2''       DC   3   6.062  20.649  14.867
  413    H1'   DC   3           H1'       DC   3   3.865  20.829  15.409
  414    H41   DC   3           H41       DC   3   1.493  21.355   9.255
  415    H42   DC   3           H42       DC   3   0.946  19.837   9.982
  416    H5    DC   3           H5        DC   3   3.058  22.839  10.422
  417    H6    DC   3           H6        DC   3   4.214  23.173  12.596
  418    H5'   DA   4           H5'       DA   4   6.251  19.619  17.365
  419   H5''   DA   4          H5''       DA   4   7.737  18.990  18.076
  420    H4'   DA   4           H4'       DA   4   6.513  17.147  17.296
  421    H3'   DA   4           H3'       DA   4   9.071  17.689  16.108
  422    H2'   DA   4           H2'       DA   4   8.223  18.003  13.995
  423   H2''   DA   4          H2''       DA   4   8.299  16.247  13.895
  424    H1'   DA   4           H1'       DA   4   6.021  15.970  14.612
  425    H8    DA   4           H8        DA   4   6.790  19.342  12.989
  426    H61   DA   4           H61       DA   4   2.551  17.603   8.740
  427    H62   DA   4           H62       DA   4   3.570  18.938   9.259
  428    H2    DA   4           H2        DA   4   3.066  14.310  11.527
  429    H5'   DT   5           H5'       DT   5   7.264  13.472  15.412
  430   H5''   DT   5          H5''       DT   5   8.470  12.239  15.789
  431    H4'   DT   5           H4'       DT   5   7.215  11.451  13.950
  432    H3'   DT   5           H3'       DT   5  10.024  11.866  13.671
  433    H2'   DT   5           H2'       DT   5   9.834  13.483  12.048
  434   H2''   DT   5          H2''       DT   5   9.675  12.109  10.942
  435    H1'   DT   5           H1'       DT   5   7.298  12.114  11.053
  436    H3    DT   5           H3        DT   5   5.609  15.282   8.316
  437    H71   DT   5           H71       DT   5   9.408  17.984   9.657
  438    H72   DT   5           H72       DT   5   8.181  18.578  10.778
  439    H73   DT   5           H73       DT   5   9.518  17.568  11.382
  440    H6    DT   5           H6        DT   5   8.997  15.391  11.765
  441    H5'   DA   6           H5'       DA   6   7.439   9.049  10.949
  442   H5''   DA   6          H5''       DA   6   8.334   7.549  10.711
  443    H4'   DA   6           H4'       DA   6   6.883   7.844   8.868
  444    H3'   DA   6           H3'       DA   6   9.621   7.490   8.456
  445    H2'   DA   6           H2'       DA   6  10.117   9.660   7.916
  446   H2''   DA   6          H2''       DA   6   9.693   9.142   6.288
  447    H1'   DA   6           H1'       DA   6   7.515  10.008   6.404
  448    H8    DA   6           H8        DA   6  10.044  11.587   8.827
  449    H61   DA   6           H61       DA   6   8.274  16.917   6.052
  450    H62   DA   6           H62       DA   6   9.455  16.242   7.173
  451    H2    DA   6           H2        DA   6   5.828  13.723   4.465
  452    H5'   DT   7           H5'       DT   7   6.781   7.955   5.103
  453   H5''   DT   7          H5''       DT   7   6.888   6.793   3.784
  454    H4'   DT   7           H4'       DT   7   6.203   8.976   2.970
  455    H3'   DT   7           H3'       DT   7   8.490   7.626   1.899
  456    H2'   DT   7           H2'       DT   7   9.969   9.290   2.586
  457   H2''   DT   7          H2''       DT   7   9.451  10.068   1.072
  458    H1'   DT   7           H1'       DT   7   7.648  11.237   2.168
  459    H3    DT   7           H3        DT   7   9.831  14.981   3.376
  460    H71   DT   7           H71       DT   7  12.062  12.368   6.775
  461    H72   DT   7           H72       DT   7  12.160  10.789   5.969
  462    H73   DT   7           H73       DT   7  13.155  12.150   5.402
  463    H6    DT   7           H6        DT   7  10.400  10.335   4.490
  464    H5'   DA   8           H5'       DA   8   7.396  10.819  -1.416
  465   H5''   DA   8          H5''       DA   8   7.522   9.936  -2.937
  466    H4'   DA   8           H4'       DA   8   8.787  11.855  -3.273
  467    H3'   DA   8           H3'       DA   8  10.446   9.441  -2.905
  468    H2'   DA   8           H2'       DA   8  11.894  10.448  -1.495
  469   H2''   DA   8          H2''       DA   8  12.434  11.404  -2.899
  470    H1'   DA   8           H1'       DA   8  11.009  13.192  -2.430
  471    H8    DA   8           H8        DA   8  11.581  11.060   0.828
  472    H61   DA   8           H61       DA   8  13.383  16.681   3.029
  473    H62   DA   8           H62       DA   8  13.118  15.025   3.581
  474    H2    DA   8           H2        DA   8  12.268  17.177  -1.010
  475    H5'   DT   9           H5'       DT   9  11.042  12.845  -6.070
  476   H5''   DT   9          H5''       DT   9  11.775  12.146  -7.521
  477    H4'   DT   9           H4'       DT   9  12.396  14.465  -7.384
  478    H3'   DT   9           H3'       DT   9  14.335  12.393  -7.432
  479    H2'   DT   9           H2'       DT   9  15.288  12.785  -5.437
  480   H2''   DT   9          H2''       DT   9  16.104  14.144  -6.194
  481    H1'   DT   9           H1'       DT   9  14.554  15.728  -5.497
  482    H3    DT   9           H3        DT   9  15.396  16.506  -1.125
  483    H71   DT   9           H71       DT   9  16.008  11.704  -0.791
  484    H72   DT   9           H72       DT   9  14.362  11.896  -0.198
  485    H73   DT   9           H73       DT   9  14.648  11.132  -1.780
  486    H6    DT   9           H6        DT   9  14.278  12.521  -3.610
  487    H5'   DG  10           H5'       DG  10  15.212  16.858  -8.066
  488   H5''   DG  10          H5''       DG  10  16.125  17.049  -9.565
  489    H4'   DG  10           H4'       DG  10  16.632  18.907  -8.198
  490    H3'   DG  10           H3'       DG  10  18.663  17.243  -9.145
  491    H2'   DG  10           H2'       DG  10  19.054  16.172  -7.116
  492   H2''   DG  10          H2''       DG  10  20.192  17.502  -6.896
  493    H1'   DG  10           H1'       DG  10  18.652  18.810  -5.655
  494    H8    DG  10           H8        DG  10  18.008  15.040  -5.572
  495    H1    DG  10           H1        DG  10  19.096  17.737   0.174
  496    H21   DG  10           H21       DG  10  19.496  20.581  -1.702
  497    H22   DG  10           H22       DG  10  19.608  19.813  -0.115
  498    H5'   DC  11           H5'       DC  11  19.862  21.285  -6.929
  499   H5''   DC  11          H5''       DC  11  20.953  22.112  -8.038
  500    H4'   DC  11           H4'       DC  11  21.458  22.833  -5.838
  501    H3'   DC  11           H3'       DC  11  23.423  21.723  -7.475
  502    H2'   DC  11           H2'       DC  11  23.684  19.716  -6.380
  503   H2''   DC  11          H2''       DC  11  24.760  20.623  -5.317
  504    H1'   DC  11           H1'       DC  11  23.155  21.000  -3.701
  505    H41   DC  11           H41       DC  11  21.223  14.699  -3.211
  506    H42   DC  11           H42       DC  11  21.513  15.347  -1.592
  507    H5    DC  11           H5        DC  11  21.605  16.028  -5.201
  508    H6    DC  11           H6        DC  11  22.175  18.316  -5.982
  509    H5'   DG  12           H5'       DG  12  25.313  23.230  -3.527
  510   H5''   DG  12          H5''       DG  12  26.916  23.936  -3.739
  511    H4'   DG  12           H4'       DG  12  27.017  22.366  -1.944
  512    H3'   DG  12           H3'       DG  12  28.363  21.409  -4.457
  513   HO3'   DG  12          H3T        DG  12  30.216  21.781  -3.117
  514    H2'   DG  12           H2'       DG  12  28.422  19.273  -3.761
  515   H2''   DG  12          H2''       DG  12  28.960  19.724  -2.125
  516    H1'   DG  12           H1'       DG  12  26.843  19.783  -1.272
  517    H8    DG  12           H8        DG  12  26.187  18.659  -4.887
  518    H1    DG  12           H1        DG  12  24.667  14.422  -0.260
  519    H21   DG  12           H21       DG  12  25.970  16.865   1.793
  520    H22   DG  12           H22       DG  12  25.365  15.214   1.673
  521    H5'   DC  13           H5'       DC  13  24.871   7.869   4.974
  522   H5''   DC  13          H5''       DC  13  24.204   8.027   6.594
  523    H4'   DC  13           H4'       DC  13  25.636   9.898   6.145
  524    H3'   DC  13           H3'       DC  13  22.998  10.164   6.975
  525    H2'   DC  13           H2'       DC  13  22.140  10.986   4.972
  526   H2''   DC  13          H2''       DC  13  22.666  12.545   5.643
  527    H1'   DC  13           H1'       DC  13  24.746  12.473   4.559
  528    H41   DC  13           H41       DC  13  22.132  11.785  -1.472
  529    H42   DC  13           H42       DC  13  23.355  13.058  -1.528
  530    H5    DC  13           H5        DC  13  21.582  10.595   0.598
  531    H6    DC  13           H6        DC  13  22.227  10.353   2.935
  532   HO5'   DC  13          H5T        DC  13  22.602   7.340   5.029
  533    H5'   DG  14           H5'       DG  14  25.698  14.360   7.160
  534   H5''   DG  14          H5''       DG  14  25.370  14.832   8.824
  535    H4'   DG  14           H4'       DG  14  25.726  16.825   7.708
  536    H3'   DG  14           H3'       DG  14  23.265  16.441   8.934
  537    H2'   DG  14           H2'       DG  14  22.036  16.032   6.989
  538   H2''   DG  14          H2''       DG  14  21.855  17.769   6.988
  539    H1'   DG  14           H1'       DG  14  23.563  18.119   5.452
  540    H8    DG  14           H8        DG  14  22.084  14.599   5.407
  541    H1    DG  14           H1        DG  14  22.378  17.510  -0.331
  542    H21   DG  14           H21       DG  14  23.836  20.039   1.482
  543    H22   DG  14           H22       DG  14  23.246  19.476  -0.087
  544    H5'   DC  15           H5'       DC  15  23.805  20.464   6.840
  545   H5''   DC  15          H5''       DC  15  23.095  21.881   7.613
  546    H4'   DC  15           H4'       DC  15  22.658  21.892   5.234
  547    H3'   DC  15           H3'       DC  15  20.313  21.586   7.058
  548    H2'   DC  15           H2'       DC  15  19.036  20.601   5.494
  549   H2''   DC  15          H2''       DC  15  19.375  21.879   4.310
  550    H1'   DC  15           H1'       DC  15  21.127  20.807   3.353
  551    H41   DC  15           H41       DC  15  18.427  14.791   3.155
  552    H42   DC  15           H42       DC  15  18.464  15.491   1.530
  553    H5    DC  15           H5        DC  15  19.088  16.116   5.118
  554    H6    DC  15           H6        DC  15  20.067  18.290   5.796
  555    H5'   DA  16           H5'       DA  16  20.443  24.008   3.353
  556   H5''   DA  16          H5''       DA  16  19.846  25.658   3.511
  557    H4'   DA  16           H4'       DA  16  19.317  24.927   1.339
  558    H3'   DA  16           H3'       DA  16  17.246  25.689   3.118
  559    H2'   DA  16           H2'       DA  16  16.403  23.546   3.339
  560   H2''   DA  16          H2''       DA  16  15.441  24.004   1.932
  561    H1'   DA  16           H1'       DA  16  17.014  23.058   0.380
  562    H8    DA  16           H8        DA  16  17.112  21.538   3.875
  563    H61   DA  16           H61       DA  16  15.675  16.191   0.945
  564    H62   DA  16           H62       DA  16  16.181  16.847   2.495
  565    H2    DA  16           H2        DA  16  15.443  19.386  -1.957
  566    H5'   DT  17           H5'       DT  17  15.778  24.963  -1.161
  567   H5''   DT  17          H5''       DT  17  14.695  26.235  -1.741
  568    H4'   DT  17           H4'       DT  17  13.826  24.140  -2.452
  569    H3'   DT  17           H3'       DT  17  12.262  25.755  -0.633
  570    H2'   DT  17           H2'       DT  17  12.009  24.089   0.911
  571   H2''   DT  17          H2''       DT  17  10.785  23.426  -0.188
  572    H1'   DT  17           H1'       DT  17  12.368  22.059  -1.343
  573    H3    DT  17           H3        DT  17  12.841  18.277   1.094
  574    H71   DT  17           H71       DT  17  13.655  22.525   4.398
  575    H72   DT  17           H72       DT  17  12.754  21.118   4.996
  576    H73   DT  17           H73       DT  17  14.494  20.984   4.716
  577    H6    DT  17           H6        DT  17  13.284  22.941   2.186
  578    H5'   DA  18           H5'       DA  18  10.302  22.468  -2.860
  579   H5''   DA  18          H5''       DA  18   8.955  23.038  -3.839
  580    H4'   DA  18           H4'       DA  18   8.279  20.941  -3.168
  581    H3'   DA  18           H3'       DA  18   6.852  23.090  -1.784
  582    H2'   DA  18           H2'       DA  18   7.316  22.295   0.274
  583   H2''   DA  18          H2''       DA  18   6.040  21.107  -0.072
  584    H1'   DA  18           H1'       DA  18   7.575  19.489  -0.817
  585    H8    DA  18           H8        DA  18   8.887  21.933   1.844
  586    H61   DA  18           H61       DA  18  10.907  16.558   4.489
  587    H62   DA  18           H62       DA  18  10.767  18.284   4.844
  588    H2    DA  18           H2        DA  18   9.496  15.661   0.584
  589    H5'   DT  19           H5'       DT  19   5.592  18.789  -2.308
  590   H5''   DT  19          H5''       DT  19   4.034  18.756  -3.137
  591    H4'   DT  19           H4'       DT  19   3.806  16.962  -1.659
  592    H3'   DT  19           H3'       DT  19   2.234  19.259  -0.973
  593    H2'   DT  19           H2'       DT  19   3.562  19.843   0.821
  594   H2''   DT  19          H2''       DT  19   2.424  18.743   1.660
  595    H1'   DT  19           H1'       DT  19   3.841  16.817   1.229
  596    H3    DT  19           H3        DT  19   6.865  16.439   4.500
  597    H71   DT  19           H71       DT  19   5.966  21.249   4.924
  598    H72   DT  19           H72       DT  19   7.619  21.172   4.336
  599    H73   DT  19           H73       DT  19   6.329  21.723   3.245
  600    H6    DT  19           H6        DT  19   5.268  20.143   1.885
  601    H5'   DA  20           H5'       DA  20  -1.427  15.405   0.044
  602   H5''   DA  20          H5''       DA  20  -0.103  16.166   0.910
  603    H4'   DA  20           H4'       DA  20  -0.003  13.234   0.133
  604    H3'   DA  20           H3'       DA  20  -1.941  14.353   1.775
  605    H2'   DA  20           H2'       DA  20  -0.506  15.389   3.245
  606   H2''   DA  20          H2''       DA  20  -0.614  13.842   4.099
  607    H1'   DA  20           H1'       DA  20   1.405  13.031   3.239
  608    H8    DA  20           H8        DA  20   1.594  16.815   2.401
  609    H61   DA  20           H61       DA  20   5.174  17.298   7.452
  610    H62   DA  20           H62       DA  20   4.402  18.202   6.150
  611    H2    DA  20           H2        DA  20   3.897  13.155   7.172
  612    H5'   DT  21           H5'       DT  21  -0.208  11.020   4.154
  613   H5''   DT  21          H5''       DT  21  -1.458   9.785   4.164
  614    H4'   DT  21           H4'       DT  21  -0.480   9.518   6.239
  615    H3'   DT  21           H3'       DT  21  -3.105  10.387   6.287
  616    H2'   DT  21           H2'       DT  21  -2.713  12.602   6.818
  617   H2''   DT  21          H2''       DT  21  -2.744  11.963   8.480
  618    H1'   DT  21           H1'       DT  21  -0.458  11.751   8.636
  619    H3    DT  21           H3        DT  21   1.955  15.556   9.004
  620    H71   DT  21           H71       DT  21  -1.383  17.619   6.229
  621    H72   DT  21           H72       DT  21  -0.238  17.132   4.979
  622    H73   DT  21           H73       DT  21  -1.812  16.308   5.114
  623    H6    DT  21           H6        DT  21  -1.609  14.204   6.016
  624    H5'   DG  22           H5'       DG  22  -0.944   9.486  10.284
  625   H5''   DG  22          H5''       DG  22  -1.998   8.602  11.411
  626    H4'   DG  22           H4'       DG  22  -0.719  10.136  12.688
  627    H3'   DG  22           H3'       DG  22  -3.574  10.379  12.649
  628    H2'   DG  22           H2'       DG  22  -3.513  12.465  11.609
  629   H2''   DG  22          H2''       DG  22  -3.338  13.035  13.293
  630    H1'   DG  22           H1'       DG  22  -0.934  12.966  13.145
  631    H8    DG  22           H8        DG  22  -2.789  13.774   9.884
  632    H1    DG  22           H1        DG  22   1.147  18.370  12.138
  633    H21   DG  22           H21       DG  22   1.634  16.087  14.665
  634    H22   DG  22           H22       DG  22   1.950  17.711  14.046
  635    H5'   DC  23           H5'       DC  23  -0.739  12.062  16.075
  636   H5''   DC  23          H5''       DC  23  -1.460  11.457  17.565
  637    H4'   DC  23           H4'       DC  23  -0.174  13.353  18.123
  638    H3'   DC  23           H3'       DC  23  -2.899  13.248  18.724
  639    H2'   DC  23           H2'       DC  23  -3.642  14.818  17.216
  640   H2''   DC  23          H2''       DC  23  -3.174  15.991  18.429
  641    H1'   DC  23           H1'       DC  23  -1.113  16.454  17.471
  642    H41   DC  23           H41       DC  23  -3.743  17.447  11.472
  643    H42   DC  23           H42       DC  23  -2.756  18.841  11.924
  644    H5    DC  23           H5        DC  23  -4.001  15.535  12.973
  645    H6    DC  23           H6        DC  23  -3.250  14.611  15.153
  646    H5'   DG  24           H5'       DG  24  -1.119  17.058  20.645
  647   H5''   DG  24          H5''       DG  24  -1.844  17.431  22.213
  648    H4'   DG  24           H4'       DG  24  -1.903  19.403  20.894
  649    H3'   DG  24           H3'       DG  24  -4.612  18.108  21.146
  650   HO3'   DG  24          H3T        DG  24  -4.917  19.953  22.518
  651    H2'   DG  24           H2'       DG  24  -5.477  19.363  19.497
  652   H2''   DG  24          H2''       DG  24  -4.687  20.854  20.079
  653    H1'   DG  24           H1'       DG  24  -2.849  20.588  18.752
  654    H8    DG  24           H8        DG  24  -4.984  17.591  17.658
  655    H1    DG  24           H1        DG  24  -4.108  22.256  13.275
  656    H21   DG  24           H21       DG  24  -2.337  23.713  15.856
  657    H22   DG  24           H22       DG  24  -2.962  23.887  14.218
  Start of MODEL    8
    1    H    ALA  79           H1       ALA  79  -1.701   6.860   9.025
    2    HA   ALA  79           HA       ALA  79   1.146   6.101   9.375
    3    HB1  ALA  79           HB1      ALA  79  -0.396   4.181   9.452
    4    HB2  ALA  79           HB2      ALA  79  -1.224   4.763   7.996
    5    HB3  ALA  79           HB3      ALA  79   0.462   4.183   7.896
    6    H    ARG  80           H        ARG  80   2.400   6.021   7.487
    7    HA   ARG  80           HA       ARG  80   2.099   8.208   5.630
    8    HB2  ARG  80           HB2      ARG  80   4.074   5.907   5.818
    9    HB3  ARG  80           HB3      ARG  80   4.219   7.211   4.631
   10    HG2  ARG  80           HG2      ARG  80   3.951   7.796   7.588
   11    HG3  ARG  80           HG3      ARG  80   5.522   7.466   6.860
   12    HD2  ARG  80           HD2      ARG  80   5.588   9.480   5.754
   13    HD3  ARG  80           HD3      ARG  80   3.853   9.513   5.483
   14    HE   ARG  80           HE       ARG  80   5.286  10.332   7.981
   15   HH11  ARG  80          HH11      ARG  80   2.411  10.598   6.004
   16   HH12  ARG  80          HH12      ARG  80   1.548  11.529   7.170
   17   HH21  ARG  80          HH22      ARG  80   4.244  11.875   9.237
   18   HH22  ARG  80          HH21      ARG  80   2.561  12.239   8.963
   19    H    LYS  81           H        LYS  81  -0.170   7.234   5.151
   20    HA   LYS  81           HA       LYS  81  -0.692   5.197   3.268
   21    HB2  LYS  81           HB2      LYS  81  -2.077   7.816   4.031
   22    HB3  LYS  81           HB3      LYS  81  -2.787   6.667   2.899
   23    HG2  LYS  81           HG2      LYS  81  -3.179   5.046   4.519
   24    HG3  LYS  81           HG3      LYS  81  -1.955   5.683   5.639
   25    HD2  LYS  81           HD2      LYS  81  -3.293   7.575   6.214
   26    HD3  LYS  81           HD3      LYS  81  -4.512   7.207   4.980
   27    HE2  LYS  81           HE2      LYS  81  -5.219   5.205   6.107
   28    HE3  LYS  81           HE3      LYS  81  -3.821   5.222   7.191
   29    HZ1  LYS  81           HZ1      LYS  81  -5.875   6.049   8.267
   30    HZ2  LYS  81           HZ2      LYS  81  -4.680   7.175   8.276
   31    HZ3  LYS  81           HZ3      LYS  81  -5.933   7.319   7.232
   32    H    VAL  82           H        VAL  82  -0.436   5.041   1.313
   33    HA   VAL  82           HA       VAL  82   0.813   6.999  -0.453
   34    HB   VAL  82           HB       VAL  82  -0.498   4.314  -1.034
   35   HG11  VAL  82          HG11      VAL  82   1.067   6.173  -2.883
   36   HG12  VAL  82          HG12      VAL  82   0.860   4.435  -3.185
   37   HG13  VAL  82          HG13      VAL  82  -0.567   5.469  -3.098
   38   HG21  VAL  82          HG21      VAL  82   1.495   4.217   0.429
   39   HG22  VAL  82          HG22      VAL  82   1.734   3.431  -1.141
   40   HG23  VAL  82          HG23      VAL  82   2.436   5.037  -0.852
   41    H    LYS  83           H        LYS  83  -0.108   8.386  -1.811
   42    HA   LYS  83           HA       LYS  83  -3.015   8.190  -2.422
   43    HB2  LYS  83           HB2      LYS  83  -1.218  10.573  -2.064
   44    HB3  LYS  83           HB3      LYS  83  -2.390  10.612  -3.398
   45    HG2  LYS  83           HG2      LYS  83  -4.251  10.224  -1.966
   46    HG3  LYS  83           HG3      LYS  83  -3.203  10.067  -0.532
   47    HD2  LYS  83           HD2      LYS  83  -2.470  12.359  -0.723
   48    HD3  LYS  83           HD3      LYS  83  -3.242  12.547  -2.307
   49    HE2  LYS  83           HE2      LYS  83  -5.379  12.653  -1.464
   50    HE3  LYS  83           HE3      LYS  83  -4.940  11.873   0.077
   51    HZ1  LYS  83           HZ1      LYS  83  -5.275  14.329   0.229
   52    HZ2  LYS  83           HZ2      LYS  83  -3.840  13.812   0.779
   53    HZ3  LYS  83           HZ3      LYS  83  -3.948  14.558  -0.714
   54    H    GLN  84           H        GLN  84  -3.447   7.589  -4.424
   55    HA   GLN  84           HA       GLN  84  -1.286   7.518  -6.434
   56    HB2  GLN  84           HB2      GLN  84  -2.260   5.538  -6.912
   57    HB3  GLN  84           HB3      GLN  84  -3.751   5.909  -6.032
   58    HG2  GLN  84           HG2      GLN  84  -4.553   7.179  -7.958
   59    HG3  GLN  84           HG3      GLN  84  -3.044   6.828  -8.850
   60   HE21  GLN  84          HE21      GLN  84  -2.571   4.374  -9.180
   61   HE22  GLN  84          HE22      GLN  84  -3.976   3.354  -9.407
   62    H    TYR  85           H        TYR  85  -1.533   8.873  -8.166
   63    HA   TYR  85           HA       TYR  85  -3.843  10.786  -8.182
   64    HB2  TYR  85           HB2      TYR  85  -0.941  11.501  -8.769
   65    HB3  TYR  85           HB3      TYR  85  -2.329  12.584  -8.811
   66    HD1  TYR  85           HD1      TYR  85  -3.414  13.368  -6.789
   67    HD2  TYR  85           HD2      TYR  85   0.145  10.947  -6.631
   68    HE1  TYR  85           HE1      TYR  85  -2.983  14.189  -4.487
   69    HE2  TYR  85           HE2      TYR  85   0.601  11.771  -4.326
   70    HH   TYR  85           HH       TYR  85  -1.494  14.221  -2.750
   71    H    LYS  86           H        LYS  86  -4.714  11.097 -10.230
   72    HA   LYS  86           HA       LYS  86  -3.289   9.947 -12.596
   73    HB2  LYS  86           HB2      LYS  86  -4.915   8.308 -11.877
   74    HB3  LYS  86           HB3      LYS  86  -6.189   9.532 -11.737
   75    HG2  LYS  86           HG2      LYS  86  -6.291   9.862 -14.118
   76    HG3  LYS  86           HG3      LYS  86  -4.800   8.944 -14.386
   77    HD2  LYS  86           HD2      LYS  86  -5.944   6.887 -13.510
   78    HD3  LYS  86           HD3      LYS  86  -7.444   7.828 -13.357
   79    HE2  LYS  86           HE2      LYS  86  -7.334   8.321 -15.820
   80    HE3  LYS  86           HE3      LYS  86  -5.866   7.341 -15.933
   81    HZ1  LYS  86           HZ1      LYS  86  -7.185   5.404 -15.212
   82    HZ2  LYS  86           HZ2      LYS  86  -8.543   6.306 -15.108
   83    HZ3  LYS  86           HZ3      LYS  86  -7.842   6.052 -16.558
   84    H    ASN  87           H        ASN  87  -3.286  11.219 -14.332
   85    HA   ASN  87           HA       ASN  87  -4.459  13.911 -13.996
   86    HB2  ASN  87           HB2      ASN  87  -2.093  13.609 -14.304
   87    HB3  ASN  87           HB3      ASN  87  -2.344  12.868 -15.878
   88   HD21  ASN  87          HD22      ASN  87  -0.842  15.317 -15.154
   89   HD22  ASN  87          HD21      ASN  87  -1.656  16.625 -16.012
   90    HA   PRO  88           HA       PRO  88  -7.575  12.556 -17.020
   91    HB2  PRO  88           HB2      PRO  88  -9.222  14.774 -16.900
   92    HB3  PRO  88           HB3      PRO  88  -9.216  13.435 -15.716
   93    HG2  PRO  88           HG2      PRO  88  -7.819  16.111 -15.514
   94    HG3  PRO  88           HG3      PRO  88  -8.789  15.265 -14.262
   95    HD2  PRO  88           HD2      PRO  88  -6.089  15.167 -14.288
   96    HD3  PRO  88           HD3      PRO  88  -7.062  13.746 -13.806
   97    H    HIS  89           H        HIS  89  -5.420  15.273 -17.278
   98    HA   HIS  89           HA       HIS  89  -6.233  15.938 -20.045
   99    HB2  HIS  89           HB2      HIS  89  -3.940  17.044 -18.370
  100    HB3  HIS  89           HB3      HIS  89  -4.549  17.696 -19.882
  101    HD1  HIS  89           HD1      HIS  89  -7.122  18.782 -19.741
  102    HD2  HIS  89           HD2      HIS  89  -5.139  17.796 -16.140
  103    HE1  HIS  89           HE1      HIS  89  -8.391  19.993 -17.864
  104    HE2  HIS  89           HE2      HIS  89  -7.185  19.391 -15.669
  105    H    THR  90           H        THR  90  -3.831  13.905 -18.498
  106    HA   THR  90           HA       THR  90  -2.432  13.508 -21.133
  107    HB   THR  90           HB       THR  90  -0.379  13.223 -19.930
  108    HG1  THR  90           HG1      THR  90  -0.360  13.489 -17.667
  109   HG21  THR  90          HG21      THR  90  -1.759  15.645 -18.707
  110   HG22  THR  90          HG22      THR  90  -0.012  15.391 -18.931
  111   HG23  THR  90          HG23      THR  90  -1.063  15.608 -20.345
  112    H    GLY  91           H        GLY  91  -3.961  11.790 -18.482
  113    HA2  GLY  91           HA2      GLY  91  -4.416   9.543 -18.258
  114    HA3  GLY  91           HA3      GLY  91  -3.582   9.198 -19.779
  115    H    GLU  92           H        GLU  92  -1.663  11.012 -17.499
  116    HA   GLU  92           HA       GLU  92   0.141   8.811 -16.915
  117    HB2  GLU  92           HB2      GLU  92  -0.020  11.724 -16.059
  118    HB3  GLU  92           HB3      GLU  92   1.244  10.593 -15.539
  119    HG2  GLU  92           HG2      GLU  92   2.088  10.355 -17.748
  120    HG3  GLU  92           HG3      GLU  92   0.798  11.363 -18.434
  121    H    VAL  93           H        VAL  93   0.325   7.944 -14.947
  122    HA   VAL  93           HA       VAL  93  -1.346   8.806 -12.645
  123    HB   VAL  93           HB       VAL  93  -0.610   5.985 -13.371
  124   HG11  VAL  93          HG11      VAL  93  -2.387   5.329 -11.706
  125   HG12  VAL  93          HG12      VAL  93  -1.052   6.164 -10.934
  126   HG13  VAL  93          HG13      VAL  93  -2.567   7.031 -11.253
  127   HG21  VAL  93          HG21      VAL  93  -3.051   5.669 -13.929
  128   HG22  VAL  93          HG22      VAL  93  -3.262   7.423 -13.753
  129   HG23  VAL  93          HG23      VAL  93  -2.222   6.771 -15.030
  130    H    ILE  94           H        ILE  94  -0.445   8.374 -10.654
  131    HA   ILE  94           HA       ILE  94   2.380   7.618 -10.320
  132    HB   ILE  94           HB       ILE  94   1.878   9.868  -8.591
  133   HG12  ILE  94          HG12      ILE  94   1.829  10.773 -11.493
  134   HG13  ILE  94          HG13      ILE  94   0.424  10.767 -10.416
  135   HG21  ILE  94          HG21      ILE  94   4.046  10.562  -9.229
  136   HG22  ILE  94          HG22      ILE  94   4.073   8.808  -9.238
  137   HG23  ILE  94          HG23      ILE  94   3.957   9.688 -10.787
  138   HD11  ILE  94          HD11      ILE  94   1.670  12.211  -8.804
  139   HD12  ILE  94          HD12      ILE  94   2.963  12.371 -10.013
  140   HD13  ILE  94          HD13      ILE  94   1.333  12.987 -10.372
  141    H    GLU  95           H        GLU  95   2.887   7.511  -8.015
  142    HA   GLU  95           HA       GLU  95   0.743   7.245  -6.023
  143    HB2  GLU  95           HB2      GLU  95   2.559   5.039  -6.998
  144    HB3  GLU  95           HB3      GLU  95   1.963   5.052  -5.311
  145    HG2  GLU  95           HG2      GLU  95  -0.322   4.985  -6.021
  146    HG3  GLU  95           HG3      GLU  95   0.122   5.139  -7.721
  147    H    THR  96           H        THR  96   1.468   8.426  -4.345
  148    HA   THR  96           HA       THR  96   4.293   8.231  -3.444
  149    HB   THR  96           HB       THR  96   4.943  10.343  -3.800
  150    HG1  THR  96           HG1      THR  96   3.642  12.138  -3.529
  151   HG21  THR  96          HG21      THR  96   4.170   9.852  -6.127
  152   HG22  THR  96          HG22      THR  96   2.575  10.535  -5.710
  153   HG23  THR  96          HG23      THR  96   4.024  11.565  -5.727
  154    H    LYS  97           H        LYS  97   4.592   8.962  -1.214
  155    HA   LYS  97           HA       LYS  97   2.056   8.895   0.387
  156    HB2  LYS  97           HB2      LYS  97   4.930   8.703   1.267
  157    HB3  LYS  97           HB3      LYS  97   3.517   8.347   2.261
  158    HG2  LYS  97           HG2      LYS  97   3.006   6.362   0.982
  159    HG3  LYS  97           HG3      LYS  97   4.198   6.756  -0.250
  160    HD2  LYS  97           HD2      LYS  97   5.965   6.614   1.644
  161    HD3  LYS  97           HD3      LYS  97   4.701   5.829   2.583
  162    HE2  LYS  97           HE2      LYS  97   6.014   4.106   1.592
  163    HE3  LYS  97           HE3      LYS  97   4.481   4.123   0.720
  164    HZ1  LYS  97           HZ1      LYS  97   7.003   5.442  -0.241
  165    HZ2  LYS  97           HZ2      LYS  97   6.453   3.985  -0.774
  166    HZ3  LYS  97           HZ3      LYS  97   5.618   5.361  -1.083
  167    H    GLY  98           H        GLY  98   3.387  11.256  -1.119
  168    HA2  GLY  98           HA2      GLY  98   2.800  13.579  -0.448
  169    HA3  GLY  98           HA3      GLY  98   3.635  13.262   1.077
  170    H    GLY  99           H        GLY  99   4.796  15.191   0.417
  171    HA2  GLY  99           HA2      GLY  99   6.833  16.068   0.115
  172    HA3  GLY  99           HA3      GLY  99   7.414  14.490  -0.380
  173    H    ASN 100           H        ASN 100   8.523  16.665  -1.305
  174    HA   ASN 100           HA       ASN 100   7.957  17.592  -3.924
  175    HB2  ASN 100           HB2      ASN 100   9.601  18.681  -2.577
  176    HB3  ASN 100           HB3      ASN 100  10.367  17.183  -2.153
  177   HD21  ASN 100          HD22      ASN 100  12.213  18.612  -2.564
  178   HD22  ASN 100          HD21      ASN 100  12.968  18.263  -4.098
  179    H    HIS 101           H        HIS 101   7.219  16.060  -5.346
  180    HA   HIS 101           HA       HIS 101   9.116  13.927  -6.217
  181    HB2  HIS 101           HB2      HIS 101   7.216  13.031  -4.824
  182    HB3  HIS 101           HB3      HIS 101   6.089  13.617  -6.038
  183    HD1  HIS 101           HD1      HIS 101   9.054  11.068  -5.724
  184    HD2  HIS 101           HD2      HIS 101   5.713  12.032  -8.152
  185    HE1  HIS 101           HE1      HIS 101   8.818   9.173  -7.421
  186    HE2  HIS 101           HE2      HIS 101   6.803   9.749  -8.911
  187    H    LYS 102           H        LYS 102   9.493  13.856  -8.389
  188    HA   LYS 102           HA       LYS 102   9.303  16.109  -9.919
  189    HB2  LYS 102           HB2      LYS 102  10.755  14.052 -10.275
  190    HB3  LYS 102           HB3      LYS 102   9.410  13.322 -11.123
  191    HG2  LYS 102           HG2      LYS 102  10.662  14.262 -12.858
  192    HG3  LYS 102           HG3      LYS 102   9.390  15.452 -12.600
  193    HD2  LYS 102           HD2      LYS 102  11.466  16.594 -12.956
  194    HD3  LYS 102           HD3      LYS 102  10.992  16.849 -11.270
  195    HE2  LYS 102           HE2      LYS 102  12.578  15.081 -10.541
  196    HE3  LYS 102           HE3      LYS 102  12.965  14.707 -12.223
  197    HZ1  LYS 102           HZ1      LYS 102  13.942  16.917 -12.441
  198    HZ2  LYS 102           HZ2      LYS 102  13.533  17.310 -10.896
  199    HZ3  LYS 102           HZ3      LYS 102  14.626  16.116 -11.183
  200    H    THR 103           H        THR 103   7.283  13.361 -11.069
  201    HA   THR 103           HA       THR 103   5.839  14.939 -12.877
  202    HB   THR 103           HB       THR 103   4.796  12.423 -11.536
  203    HG1  THR 103           HG1      THR 103   5.890  11.399 -13.279
  204   HG21  THR 103          HG21      THR 103   3.783  12.156 -13.911
  205   HG22  THR 103          HG22      THR 103   3.082  13.404 -12.868
  206   HG23  THR 103          HG23      THR 103   4.219  13.876 -14.146
  207    H    LEU 104           H        LEU 104   5.006  14.172  -9.519
  208    HA   LEU 104           HA       LEU 104   2.406  15.313  -9.443
  209    HB2  LEU 104           HB2      LEU 104   3.427  13.754  -7.765
  210    HB3  LEU 104           HB3      LEU 104   4.527  15.039  -7.264
  211    HG   LEU 104           HG       LEU 104   2.645  16.365  -6.408
  212   HD11  LEU 104          HD11      LEU 104   0.933  13.953  -7.198
  213   HD12  LEU 104          HD12      LEU 104   0.397  15.318  -6.204
  214   HD13  LEU 104          HD13      LEU 104   0.832  15.581  -7.901
  215   HD21  LEU 104          HD21      LEU 104   2.095  14.931  -4.506
  216   HD22  LEU 104          HD22      LEU 104   2.611  13.493  -5.397
  217   HD23  LEU 104          HD23      LEU 104   3.800  14.740  -4.936
  218    H    LYS 105           H        LYS 105   5.631  16.817  -9.011
  219    HA   LYS 105           HA       LYS 105   4.570  19.461  -8.365
  220    HB2  LYS 105           HB2      LYS 105   7.308  18.435  -9.213
  221    HB3  LYS 105           HB3      LYS 105   6.999  20.138  -8.985
  222    HG2  LYS 105           HG2      LYS 105   6.674  17.993  -6.836
  223    HG3  LYS 105           HG3      LYS 105   8.054  19.074  -7.011
  224    HD2  LYS 105           HD2      LYS 105   5.218  19.814  -6.194
  225    HD3  LYS 105           HD3      LYS 105   6.681  19.891  -5.220
  226    HE2  LYS 105           HE2      LYS 105   7.591  21.645  -6.814
  227    HE3  LYS 105           HE3      LYS 105   6.035  21.624  -7.661
  228    HZ1  LYS 105           HZ1      LYS 105   5.000  22.221  -5.447
  229    HZ2  LYS 105           HZ2      LYS 105   6.472  22.430  -4.826
  230    HZ3  LYS 105           HZ3      LYS 105   5.984  23.405  -6.061
  231    H    GLU 106           H        GLU 106   5.324  17.841 -11.457
  232    HA   GLU 106           HA       GLU 106   5.201  20.292 -12.964
  233    HB2  GLU 106           HB2      GLU 106   4.472  17.542 -14.005
  234    HB3  GLU 106           HB3      GLU 106   5.030  18.964 -14.930
  235    HG2  GLU 106           HG2      GLU 106   7.186  18.733 -13.502
  236    HG3  GLU 106           HG3      GLU 106   6.493  17.156 -13.057
  237    H    TRP 107           H        TRP 107   2.877  17.749 -12.188
  238    HA   TRP 107           HA       TRP 107   0.646  18.906 -13.539
  239    HB2  TRP 107           HB2      TRP 107   0.623  17.256 -10.996
  240    HB3  TRP 107           HB3      TRP 107  -0.776  17.620 -12.003
  241    HD1  TRP 107           HD1      TRP 107   1.905  16.724 -14.362
  242    HE1  TRP 107           HE1      TRP 107   1.646  14.273 -15.116
  243    HE3  TRP 107           HE3      TRP 107  -1.575  15.148 -10.945
  244    HZ2  TRP 107           HZ2      TRP 107   0.630  11.855 -13.940
  245    HZ3  TRP 107           HZ3      TRP 107  -2.299  12.778 -10.942
  246    HH2  TRP 107           HH2      TRP 107  -1.142  11.100 -12.382
  247    H    LYS 108           H        LYS 108   1.857  19.624 -10.256
  248    HA   LYS 108           HA       LYS 108  -0.250  21.489  -9.562
  249    HB2  LYS 108           HB2      LYS 108   2.656  21.300  -8.652
  250    HB3  LYS 108           HB3      LYS 108   1.482  22.463  -8.006
  251    HG2  LYS 108           HG2      LYS 108  -0.025  20.561  -7.406
  252    HG3  LYS 108           HG3      LYS 108   1.237  19.428  -7.892
  253    HD2  LYS 108           HD2      LYS 108   2.809  20.531  -6.276
  254    HD3  LYS 108           HD3      LYS 108   1.480  21.593  -5.752
  255    HE2  LYS 108           HE2      LYS 108   0.150  19.437  -5.244
  256    HE3  LYS 108           HE3      LYS 108   1.632  18.548  -5.576
  257    HZ1  LYS 108           HZ1      LYS 108   1.698  18.882  -3.320
  258    HZ2  LYS 108           HZ2      LYS 108   2.672  20.129  -3.846
  259    HZ3  LYS 108           HZ3      LYS 108   1.140  20.438  -3.359
  260    H    ALA 109           H        ALA 109   2.802  21.887 -11.407
  261    HA   ALA 109           HA       ALA 109   2.718  24.743 -11.574
  262    HB1  ALA 109           HB1      ALA 109   4.719  23.249 -12.048
  263    HB2  ALA 109           HB2      ALA 109   3.916  22.744 -13.557
  264    HB3  ALA 109           HB3      ALA 109   4.366  24.433 -13.342
  265    H    LYS 110           H        LYS 110   1.744  22.126 -13.765
  266    HA   LYS 110           HA       LYS 110   0.882  23.757 -15.782
  267    HB2  LYS 110           HB2      LYS 110   0.664  20.814 -15.199
  268    HB3  LYS 110           HB3      LYS 110  -0.062  21.482 -16.675
  269    HG2  LYS 110           HG2      LYS 110   2.150  22.443 -17.311
  270    HG3  LYS 110           HG3      LYS 110   2.864  21.754 -15.849
  271    HD2  LYS 110           HD2      LYS 110   3.450  20.231 -17.558
  272    HD3  LYS 110           HD3      LYS 110   2.119  19.463 -16.694
  273    HE2  LYS 110           HE2      LYS 110   1.608  19.119 -18.970
  274    HE3  LYS 110           HE3      LYS 110   0.550  20.451 -18.473
  275    HZ1  LYS 110           HZ1      LYS 110   2.143  21.999 -19.541
  276    HZ2  LYS 110           HZ2      LYS 110   3.128  20.760 -19.957
  277    HZ3  LYS 110           HZ3      LYS 110   1.641  20.887 -20.623
  278    H    TRP 111           H        TRP 111  -1.028  22.191 -13.255
  279    HA   TRP 111           HA       TRP 111  -3.509  23.564 -14.261
  280    HB2  TRP 111           HB2      TRP 111  -3.332  20.746 -13.174
  281    HB3  TRP 111           HB3      TRP 111  -4.801  21.582 -13.651
  282    HD1  TRP 111           HD1      TRP 111  -5.095  22.113 -16.312
  283    HE1  TRP 111           HE1      TRP 111  -4.205  20.921 -18.399
  284    HE3  TRP 111           HE3      TRP 111  -1.434  19.326 -14.128
  285    HZ2  TRP 111           HZ2      TRP 111  -2.100  19.036 -19.054
  286    HZ3  TRP 111           HZ3      TRP 111   0.099  17.924 -15.521
  287    HH2  TRP 111           HH2      TRP 111  -0.261  17.721 -17.954
  288    H    GLY 112           H        GLY 112  -2.142  21.985 -11.289
  289    HA2  GLY 112           HA2      GLY 112  -1.927  23.925  -9.560
  290    HA3  GLY 112           HA3      GLY 112  -3.677  23.977  -9.617
  291    HA   PRO 113           HA       PRO 113  -1.947  20.699  -6.555
  292    HB2  PRO 113           HB2      PRO 113  -2.201  22.072  -4.147
  293    HB3  PRO 113           HB3      PRO 113  -0.705  21.946  -5.108
  294    HG2  PRO 113           HG2      PRO 113  -2.711  24.197  -5.072
  295    HG3  PRO 113           HG3      PRO 113  -0.915  24.282  -5.060
  296    HD2  PRO 113           HD2      PRO 113  -2.367  24.674  -7.322
  297    HD3  PRO 113           HD3      PRO 113  -0.793  23.821  -7.366
  298    H    GLU 114           H        GLU 114  -4.687  22.979  -6.274
  299    HA   GLU 114           HA       GLU 114  -6.384  21.392  -4.632
  300    HB2  GLU 114           HB2      GLU 114  -7.298  23.175  -6.902
  301    HB3  GLU 114           HB3      GLU 114  -8.128  22.759  -5.374
  302    HG2  GLU 114           HG2      GLU 114  -6.269  24.016  -4.174
  303    HG3  GLU 114           HG3      GLU 114  -5.700  24.528  -5.776
  304    H    ALA 115           H        ALA 115  -6.043  21.681  -8.095
  305    HA   ALA 115           HA       ALA 115  -7.982  19.833  -8.999
  306    HB1  ALA 115           HB1      ALA 115  -6.854  20.006 -11.107
  307    HB2  ALA 115           HB2      ALA 115  -6.632  21.584 -10.316
  308    HB3  ALA 115           HB3      ALA 115  -5.299  20.377 -10.355
  309    H    VAL 116           H        VAL 116  -4.482  19.492  -8.594
  310    HA   VAL 116           HA       VAL 116  -4.157  16.875  -9.230
  311    HB   VAL 116           HB       VAL 116  -2.634  18.804  -7.484
  312   HG11  VAL 116          HG11      VAL 116  -1.597  16.062  -8.248
  313   HG12  VAL 116          HG12      VAL 116  -0.655  17.406  -7.538
  314   HG13  VAL 116          HG13      VAL 116  -1.932  16.638  -6.599
  315   HG21  VAL 116          HG21      VAL 116  -2.038  17.546 -10.189
  316   HG22  VAL 116          HG22      VAL 116  -2.870  19.094 -10.004
  317   HG23  VAL 116          HG23      VAL 116  -1.192  18.924  -9.436
  318    H    GLU 117           H        GLU 117  -4.712  18.182  -5.920
  319    HA   GLU 117           HA       GLU 117  -4.771  15.607  -4.590
  320    HB2  GLU 117           HB2      GLU 117  -5.827  18.398  -3.964
  321    HB3  GLU 117           HB3      GLU 117  -6.151  17.052  -2.889
  322    HG2  GLU 117           HG2      GLU 117  -3.296  17.664  -3.705
  323    HG3  GLU 117           HG3      GLU 117  -4.109  18.607  -2.458
  324    H    SER 118           H        SER 118  -7.252  17.545  -6.264
  325    HA   SER 118           HA       SER 118  -9.514  16.036  -5.257
  326    HB2  SER 118           HB2      SER 118  -9.308  17.726  -7.780
  327    HB3  SER 118           HB3      SER 118 -10.795  17.067  -7.091
  328    HG   SER 118           HG       SER 118  -9.022  18.979  -5.960
  329    H    TRP 119           H        TRP 119  -7.361  15.616  -8.041
  330    HA   TRP 119           HA       TRP 119  -8.843  13.405  -9.203
  331    HB2  TRP 119           HB2      TRP 119  -5.891  13.987  -9.513
  332    HB3  TRP 119           HB3      TRP 119  -6.959  13.102 -10.592
  333    HD1  TRP 119           HD1      TRP 119  -9.210  15.568 -10.613
  334    HE1  TRP 119           HE1      TRP 119  -8.719  17.580 -12.126
  335    HE3  TRP 119           HE3      TRP 119  -4.181  14.858 -11.292
  336    HZ2  TRP 119           HZ2      TRP 119  -6.423  18.761 -13.421
  337    HZ3  TRP 119           HZ3      TRP 119  -2.874  16.427 -12.715
  338    HH2  TRP 119           HH2      TRP 119  -3.976  18.379 -13.765
  339    H    ALA 120           H        ALA 120  -7.010  13.463  -6.265
  340    HA   ALA 120           HA       ALA 120  -5.561  11.075  -6.656
  341    HB1  ALA 120           HB1      ALA 120  -5.043  12.967  -5.015
  342    HB2  ALA 120           HB2      ALA 120  -6.271  12.247  -3.958
  343    HB3  ALA 120           HB3      ALA 120  -4.832  11.306  -4.421
  344    H    THR 121           H        THR 121  -5.575   9.433  -5.197
  345    HA   THR 121           HA       THR 121  -8.095   7.976  -4.376
  346    HB   THR 121           HB       THR 121  -5.779   6.963  -6.057
  347    HG1  THR 121           HG1      THR 121  -7.419   6.708  -7.668
  348   HG21  THR 121          HG21      THR 121  -8.324   5.716  -4.953
  349   HG22  THR 121          HG22      THR 121  -7.380   4.947  -6.270
  350   HG23  THR 121          HG23      THR 121  -6.649   5.163  -4.675
  351    H    LEU 122           H        LEU 122  -7.753   6.686  -2.582
  352    HA   LEU 122           HA       LEU 122  -5.123   7.059  -1.190
  353    HB2  LEU 122           HB2      LEU 122  -7.374   7.997  -0.332
  354    HB3  LEU 122           HB3      LEU 122  -7.730   6.340   0.148
  355    HG   LEU 122           HG       LEU 122  -5.299   7.988   1.022
  356   HD11  LEU 122          HD11      LEU 122  -6.428   8.130   3.198
  357   HD12  LEU 122          HD12      LEU 122  -7.467   8.799   1.936
  358   HD13  LEU 122          HD13      LEU 122  -7.792   7.173   2.576
  359   HD21  LEU 122          HD21      LEU 122  -6.181   5.187   1.785
  360   HD22  LEU 122          HD22      LEU 122  -4.585   5.760   1.224
  361   HD23  LEU 122          HD23      LEU 122  -5.141   6.171   2.836
  362    H    LEU 123           H        LEU 123  -3.869   5.414  -0.968
  363    HA   LEU 123           HA       LEU 123  -4.839   2.617  -1.345
  364    HB2  LEU 123           HB2      LEU 123  -2.244   3.950  -2.243
  365    HB3  LEU 123           HB3      LEU 123  -2.646   2.248  -2.446
  366    HG   LEU 123           HG       LEU 123  -4.060   4.633  -3.727
  367   HD11  LEU 123          HD11      LEU 123  -1.851   4.170  -4.628
  368   HD12  LEU 123          HD12      LEU 123  -2.227   2.449  -4.814
  369   HD13  LEU 123          HD13      LEU 123  -3.079   3.644  -5.807
  370   HD21  LEU 123          HD21      LEU 123  -4.546   1.629  -4.100
  371   HD22  LEU 123          HD22      LEU 123  -5.694   2.790  -3.409
  372   HD23  LEU 123          HD23      LEU 123  -5.244   2.916  -5.109
  373    H    GLY 124           H        GLY 124  -4.430   1.250   0.145
  374    HA2  GLY 124           HA2      GLY 124  -3.314   2.037   2.684
  375    HA3  GLY 124           HA3      GLY 124  -3.930   0.444   2.258
  376    H    HIS 125           H        HIS 125  -1.788   0.502  -0.030
  377    HA   HIS 125           HA       HIS 125   0.744   0.176   1.422
  378    HB2  HIS 125           HB2      HIS 125  -0.428  -1.920   1.749
  379    HB3  HIS 125           HB3      HIS 125  -0.558  -2.157   0.004
  380    HD1  HIS 125           HD1      HIS 125   2.714  -1.065  -0.149
  381    HD2  HIS 125           HD2      HIS 125   0.897  -4.328   1.811
  382    HE1  HIS 125           HE1      HIS 125   4.590  -2.815   0.250
  383    HE2  HIS 125           HE2      HIS 125   3.457  -4.809   1.442
  384    H5'   DC   1           H5'       DC   1  -4.493  29.469   7.338
  385   H5''   DC   1          H5''       DC   1  -3.067  30.228   6.641
  386    H4'   DC   1           H4'       DC   1  -2.820  30.156   9.018
  387    H3'   DC   1           H3'       DC   1  -0.962  28.994   7.266
  388    H2'   DC   1           H2'       DC   1  -1.149  26.836   7.847
  389   H2''   DC   1          H2''       DC   1  -0.186  27.230   9.255
  390    H1'   DC   1           H1'       DC   1  -1.968  27.456  10.686
  391    H41   DC   1           H41       DC   1  -4.869  21.841   8.697
  392    H42   DC   1           H42       DC   1  -4.790  21.849  10.462
  393    H5    DC   1           H5        DC   1  -3.995  23.730   7.354
  394    H6    DC   1           H6        DC   1  -2.990  25.927   7.526
  395   HO5'   DC   1          H5T        DC   1  -3.756  28.335   5.438
  396    H5'   DG   2           H5'       DG   2   0.272  29.292  11.849
  397   H5''   DG   2          H5''       DG   2   1.864  30.048  11.927
  398    H4'   DG   2           H4'       DG   2   1.813  28.525  13.692
  399    H3'   DG   2           H3'       DG   2   3.734  28.143  11.673
  400    H2'   DG   2           H2'       DG   2   2.713  26.262  10.772
  401   H2''   DG   2          H2''       DG   2   3.722  25.432  11.970
  402    H1'   DG   2           H1'       DG   2   1.970  25.376  13.592
  403    H8    DG   2           H8        DG   2   0.836  25.467   9.936
  404    H1    DG   2           H1        DG   2  -1.333  20.441  13.336
  405    H21   DG   2           H21       DG   2   0.480  21.897  15.862
  406    H22   DG   2           H22       DG   2  -0.528  20.542  15.342
  407    H5'   DC   3           H5'       DC   3   4.054  25.653  15.687
  408   H5''   DC   3          H5''       DC   3   5.732  25.573  16.219
  409    H4'   DC   3           H4'       DC   3   4.587  23.547  16.828
  410    H3'   DC   3           H3'       DC   3   6.876  23.475  15.027
  411    H2'   DC   3           H2'       DC   3   6.073  21.995  13.537
  412   H2''   DC   3          H2''       DC   3   5.973  20.776  14.813
  413    H1'   DC   3           H1'       DC   3   3.768  21.106  15.243
  414    H41   DC   3           H41       DC   3   1.795  21.678   8.950
  415    H42   DC   3           H42       DC   3   1.103  20.219   9.685
  416    H5    DC   3           H5        DC   3   3.437  23.051  10.173
  417    H6    DC   3           H6        DC   3   4.482  23.346  12.413
  418    H5'   DA   4           H5'       DA   4   5.927  19.699  17.311
  419   H5''   DA   4          H5''       DA   4   7.329  18.961  18.091
  420    H4'   DA   4           H4'       DA   4   6.052  17.213  17.194
  421    H3'   DA   4           H3'       DA   4   8.692  17.643  16.133
  422    H2'   DA   4           H2'       DA   4   7.955  18.003  13.985
  423   H2''   DA   4          H2''       DA   4   7.936  16.243  13.880
  424    H1'   DA   4           H1'       DA   4   5.620  16.097  14.515
  425    H8    DA   4           H8        DA   4   6.634  19.420  12.919
  426    H61   DA   4           H61       DA   4   2.461  17.877   8.510
  427    H62   DA   4           H62       DA   4   3.504  19.175   9.069
  428    H2    DA   4           H2        DA   4   2.759  14.558  11.289
  429    H5'   DT   5           H5'       DT   5   6.795  13.413  15.386
  430   H5''   DT   5          H5''       DT   5   8.001  12.187  15.789
  431    H4'   DT   5           H4'       DT   5   6.785  11.405  13.906
  432    H3'   DT   5           H3'       DT   5   9.612  11.871  13.676
  433    H2'   DT   5           H2'       DT   5   9.454  13.407  11.996
  434   H2''   DT   5          H2''       DT   5   9.247  12.003  10.934
  435    H1'   DT   5           H1'       DT   5   6.885  12.072  11.038
  436    H3    DT   5           H3        DT   5   5.387  15.248   8.185
  437    H71   DT   5           H71       DT   5   9.220  17.832   9.646
  438    H72   DT   5           H72       DT   5   7.948  18.518  10.653
  439    H73   DT   5           H73       DT   5   9.198  17.488  11.392
  440    H6    DT   5           H6        DT   5   8.605  15.328  11.793
  441    H5'   DA   6           H5'       DA   6   7.231   9.034  10.810
  442   H5''   DA   6          H5''       DA   6   8.163   7.546  10.632
  443    H4'   DA   6           H4'       DA   6   6.886   7.826   8.686
  444    H3'   DA   6           H3'       DA   6   9.671   7.598   8.499
  445    H2'   DA   6           H2'       DA   6  10.131   9.751   7.898
  446   H2''   DA   6          H2''       DA   6   9.755   9.205   6.277
  447    H1'   DA   6           H1'       DA   6   7.587  10.035   6.295
  448    H8    DA   6           H8        DA   6   9.963  11.657   8.828
  449    H61   DA   6           H61       DA   6   8.200  16.956   6.001
  450    H62   DA   6           H62       DA   6   9.352  16.300   7.162
  451    H2    DA   6           H2        DA   6   5.854  13.729   4.329
  452    H5'   DT   7           H5'       DT   7   6.953   7.718   4.995
  453   H5''   DT   7          H5''       DT   7   7.251   6.584   3.680
  454    H4'   DT   7           H4'       DT   7   6.334   8.705   2.887
  455    H3'   DT   7           H3'       DT   7   8.666   7.507   1.798
  456    H2'   DT   7           H2'       DT   7  10.076   9.230   2.532
  457   H2''   DT   7          H2''       DT   7   9.557   9.976   0.998
  458    H1'   DT   7           H1'       DT   7   7.698  11.083   2.034
  459    H3    DT   7           H3        DT   7   9.717  14.918   3.280
  460    H71   DT   7           H71       DT   7  12.101  10.815   5.971
  461    H72   DT   7           H72       DT   7  13.078  12.191   5.413
  462    H73   DT   7           H73       DT   7  11.948  12.402   6.755
  463    H6    DT   7           H6        DT   7  10.407  10.297   4.441
  464    H5'   DA   8           H5'       DA   8   7.401  10.753  -1.490
  465   H5''   DA   8          H5''       DA   8   7.533   9.869  -3.009
  466    H4'   DA   8           H4'       DA   8   8.732  11.831  -3.373
  467    H3'   DA   8           H3'       DA   8  10.446   9.464  -3.082
  468    H2'   DA   8           H2'       DA   8  11.834  10.434  -1.579
  469   H2''   DA   8          H2''       DA   8  12.435  11.409  -2.948
  470    H1'   DA   8           H1'       DA   8  10.986  13.198  -2.511
  471    H8    DA   8           H8        DA   8  11.559  11.037   0.730
  472    H61   DA   8           H61       DA   8  13.269  16.655   3.004
  473    H62   DA   8           H62       DA   8  13.006  14.998   3.546
  474    H2    DA   8           H2        DA   8  12.168  17.184  -1.026
  475    H5'   DT   9           H5'       DT   9  11.064  13.010  -6.069
  476   H5''   DT   9          H5''       DT   9  11.797  12.374  -7.556
  477    H4'   DT   9           H4'       DT   9  12.368  14.690  -7.344
  478    H3'   DT   9           H3'       DT   9  14.354  12.688  -7.515
  479    H2'   DT   9           H2'       DT   9  15.272  12.947  -5.480
  480   H2''   DT   9          H2''       DT   9  16.109  14.340  -6.153
  481    H1'   DT   9           H1'       DT   9  14.558  15.897  -5.389
  482    H3    DT   9           H3        DT   9  15.327  16.461  -0.985
  483    H71   DT   9           H71       DT   9  14.635  11.126  -1.910
  484    H72   DT   9           H72       DT   9  15.962  11.660  -0.860
  485    H73   DT   9           H73       DT   9  14.304  11.804  -0.295
  486    H6    DT   9           H6        DT   9  14.264  12.590  -3.666
  487    H5'   DG  10           H5'       DG  10  15.329  17.190  -7.810
  488   H5''   DG  10          H5''       DG  10  16.304  17.482  -9.257
  489    H4'   DG  10           H4'       DG  10  16.913  19.133  -7.683
  490    H3'   DG  10           H3'       DG  10  18.839  17.375  -8.721
  491    H2'   DG  10           H2'       DG  10  19.096  16.163  -6.745
  492   H2''   DG  10          H2''       DG  10  20.314  17.405  -6.412
  493    H1'   DG  10           H1'       DG  10  18.780  18.761  -5.193
  494    H8    DG  10           H8        DG  10  18.008  15.011  -5.191
  495    H1    DG  10           H1        DG  10  19.074  17.605   0.609
  496    H21   DG  10           H21       DG  10  19.542  20.473  -1.221
  497    H22   DG  10           H22       DG  10  19.615  19.684   0.357
  498    H5'   DC  11           H5'       DC  11  20.191  21.321  -6.392
  499   H5''   DC  11          H5''       DC  11  21.360  22.097  -7.457
  500    H4'   DC  11           H4'       DC  11  21.818  22.777  -5.227
  501    H3'   DC  11           H3'       DC  11  23.783  21.591  -6.817
  502    H2'   DC  11           H2'       DC  11  23.916  19.563  -5.733
  503   H2''   DC  11          H2''       DC  11  24.996  20.407  -4.629
  504    H1'   DC  11           H1'       DC  11  23.363  20.845  -3.057
  505    H41   DC  11           H41       DC  11  21.197  14.606  -2.707
  506    H42   DC  11           H42       DC  11  21.461  15.229  -1.073
  507    H5    DC  11           H5        DC  11  21.663  15.951  -4.669
  508    H6    DC  11           H6        DC  11  22.330  18.232  -5.404
  509    H5'   DG  12           H5'       DG  12  25.631  23.003  -2.801
  510   H5''   DG  12          H5''       DG  12  27.279  23.624  -2.969
  511    H4'   DG  12           H4'       DG  12  27.243  22.042  -1.176
  512    H3'   DG  12           H3'       DG  12  28.617  21.040  -3.657
  513   HO3'   DG  12          H3T        DG  12  30.441  21.288  -2.242
  514    H2'   DG  12           H2'       DG  12  28.553  18.901  -2.981
  515   H2''   DG  12          H2''       DG  12  29.069  19.308  -1.327
  516    H1'   DG  12           H1'       DG  12  26.926  19.462  -0.532
  517    H8    DG  12           H8        DG  12  26.326  18.398  -4.176
  518    H1    DG  12           H1        DG  12  24.501  14.193   0.366
  519    H21   DG  12           H21       DG  12  25.887  16.553   2.469
  520    H22   DG  12           H22       DG  12  25.202  14.935   2.329
  521    H5'   DC  13           H5'       DC  13  24.465   7.622   5.621
  522   H5''   DC  13          H5''       DC  13  23.741   7.781   7.216
  523    H4'   DC  13           H4'       DC  13  25.198   9.646   6.803
  524    H3'   DC  13           H3'       DC  13  22.521   9.929   7.528
  525    H2'   DC  13           H2'       DC  13  21.756  10.771   5.505
  526   H2''   DC  13          H2''       DC  13  22.282  12.321   6.194
  527    H1'   DC  13           H1'       DC  13  24.400  12.218   5.192
  528    H41   DC  13           H41       DC  13  21.978  11.609  -0.931
  529    H42   DC  13           H42       DC  13  23.225  12.861  -0.941
  530    H5    DC  13           H5        DC  13  21.352  10.410   1.107
  531    H6    DC  13           H6        DC  13  21.905  10.148   3.465
  532   HO5'   DC  13          H5T        DC  13  22.195   7.093   5.589
  533    H5'   DG  14           H5'       DG  14  25.273  14.071   7.853
  534   H5''   DG  14          H5''       DG  14  24.892  14.543   9.504
  535    H4'   DG  14           H4'       DG  14  25.331  16.537   8.418
  536    H3'   DG  14           H3'       DG  14  22.806  16.202   9.528
  537    H2'   DG  14           H2'       DG  14  21.659  15.825   7.529
  538   H2''   DG  14          H2''       DG  14  21.521  17.565   7.522
  539    H1'   DG  14           H1'       DG  14  23.304  17.881   6.071
  540    H8    DG  14           H8        DG  14  21.750  14.396   5.934
  541    H1    DG  14           H1        DG  14  22.373  17.340   0.241
  542    H21   DG  14           H21       DG  14  23.839  19.804   2.136
  543    H22   DG  14           H22       DG  14  23.289  19.279   0.540
  544    H5'   DC  15           H5'       DC  15  23.530  20.232   7.479
  545   H5''   DC  15          H5''       DC  15  22.800  21.650   8.231
  546    H4'   DC  15           H4'       DC  15  22.493  21.685   5.828
  547    H3'   DC  15           H3'       DC  15  20.057  21.423   7.532
  548    H2'   DC  15           H2'       DC  15  18.834  20.445   5.923
  549   H2''   DC  15          H2''       DC  15  19.236  21.713   4.750
  550    H1'   DC  15           H1'       DC  15  21.013  20.625   3.869
  551    H41   DC  15           H41       DC  15  18.194  14.662   3.548
  552    H42   DC  15           H42       DC  15  18.344  15.359   1.927
  553    H5    DC  15           H5        DC  15  18.796  15.975   5.548
  554    H6    DC  15           H6        DC  15  19.800  18.131   6.262
  555    H5'   DA  16           H5'       DA  16  20.358  23.793   3.814
  556   H5''   DA  16          H5''       DA  16  19.792  25.458   3.939
  557    H4'   DA  16           H4'       DA  16  19.312  24.748   1.761
  558    H3'   DA  16           H3'       DA  16  17.184  25.498   3.484
  559    H2'   DA  16           H2'       DA  16  16.334  23.359   3.642
  560   H2''   DA  16          H2''       DA  16  15.415  23.846   2.219
  561    H1'   DA  16           H1'       DA  16  17.042  22.927   0.695
  562    H8    DA  16           H8        DA  16  17.023  21.328   4.156
  563    H61   DA  16           H61       DA  16  15.639  16.063   1.045
  564    H62   DA  16           H62       DA  16  16.141  16.667   2.616
  565    H2    DA  16           H2        DA  16  15.395  19.347  -1.745
  566    H5'   DT  17           H5'       DT  17  15.907  24.862  -0.912
  567   H5''   DT  17          H5''       DT  17  14.901  26.189  -1.492
  568    H4'   DT  17           H4'       DT  17  14.030  24.161  -2.379
  569    H3'   DT  17           H3'       DT  17  12.388  25.771  -0.660
  570    H2'   DT  17           H2'       DT  17  12.076  24.121   0.905
  571   H2''   DT  17          H2''       DT  17  10.835  23.513  -0.204
  572    H1'   DT  17           H1'       DT  17  12.377  22.068  -1.329
  573    H3    DT  17           H3        DT  17  12.788  18.267   1.076
  574    H71   DT  17           H71       DT  17  12.601  21.087   4.998
  575    H72   DT  17           H72       DT  17  14.348  20.922   4.771
  576    H73   DT  17           H73       DT  17  13.553  22.480   4.440
  577    H6    DT  17           H6        DT  17  13.207  22.920   2.223
  578    H5'   DA  18           H5'       DA  18  10.465  22.463  -2.974
  579   H5''   DA  18          H5''       DA  18   9.140  23.047  -3.978
  580    H4'   DA  18           H4'       DA  18   8.428  20.964  -3.305
  581    H3'   DA  18           H3'       DA  18   7.008  23.133  -1.942
  582    H2'   DA  18           H2'       DA  18   7.463  22.334   0.125
  583   H2''   DA  18          H2''       DA  18   6.161  21.177  -0.225
  584    H1'   DA  18           H1'       DA  18   7.664  19.532  -0.980
  585    H8    DA  18           H8        DA  18   9.017  21.927   1.701
  586    H61   DA  18           H61       DA  18  10.729  16.508   4.439
  587    H62   DA  18           H62       DA  18  10.652  18.245   4.755
  588    H2    DA  18           H2        DA  18   9.369  15.630   0.495
  589    H5'   DT  19           H5'       DT  19   5.714  18.834  -2.434
  590   H5''   DT  19          H5''       DT  19   4.174  18.829  -3.300
  591    H4'   DT  19           H4'       DT  19   3.856  17.050  -1.815
  592    H3'   DT  19           H3'       DT  19   2.348  19.405  -1.145
  593    H2'   DT  19           H2'       DT  19   3.670  19.952   0.646
  594   H2''   DT  19          H2''       DT  19   2.490  18.906   1.485
  595    H1'   DT  19           H1'       DT  19   3.841  16.921   1.088
  596    H3    DT  19           H3        DT  19   6.796  16.484   4.420
  597    H71   DT  19           H71       DT  19   6.431  21.766   3.083
  598    H72   DT  19           H72       DT  19   6.017  21.331   4.760
  599    H73   DT  19           H73       DT  19   7.681  21.197   4.208
  600    H6    DT  19           H6        DT  19   5.364  20.200   1.719
  601    H5'   DA  20           H5'       DA  20  -1.498  15.739  -0.167
  602   H5''   DA  20          H5''       DA  20  -0.136  16.417   0.707
  603    H4'   DA  20           H4'       DA  20  -0.193  13.488  -0.108
  604    H3'   DA  20           H3'       DA  20  -2.046  14.711   1.549
  605    H2'   DA  20           H2'       DA  20  -0.577  15.662   3.015
  606   H2''   DA  20          H2''       DA  20  -0.741  14.127   3.877
  607    H1'   DA  20           H1'       DA  20   1.255  13.241   3.018
  608    H8    DA  20           H8        DA  20   1.532  17.032   2.153
  609    H61   DA  20           H61       DA  20   5.073  17.442   7.235
  610    H62   DA  20           H62       DA  20   4.300  18.378   5.955
  611    H2    DA  20           H2        DA  20   3.852  13.311   6.860
  612    H5'   DT  21           H5'       DT  21  -0.495  11.242   3.885
  613   H5''   DT  21          H5''       DT  21  -1.853  10.123   4.014
  614    H4'   DT  21           H4'       DT  21  -0.693   9.882   6.026
  615    H3'   DT  21           H3'       DT  21  -3.313  10.785   6.131
  616    H2'   DT  21           H2'       DT  21  -2.879  12.998   6.650
  617   H2''   DT  21          H2''       DT  21  -2.864  12.367   8.312
  618    H1'   DT  21           H1'       DT  21  -0.563  12.116   8.382
  619    H3    DT  21           H3        DT  21   1.889  15.877   8.675
  620    H71   DT  21           H71       DT  21  -1.938  16.680   4.858
  621    H72   DT  21           H72       DT  21  -1.488  17.995   5.964
  622    H73   DT  21           H73       DT  21  -0.356  17.492   4.709
  623    H6    DT  21           H6        DT  21  -1.774  14.582   5.799
  624    H5'   DG  22           H5'       DG  22  -1.304   9.975  10.254
  625   H5''   DG  22          H5''       DG  22  -2.430   9.141  11.345
  626    H4'   DG  22           H4'       DG  22  -1.306  10.764  12.635
  627    H3'   DG  22           H3'       DG  22  -4.148  11.097  12.257
  628    H2'   DG  22           H2'       DG  22  -3.895  13.144  11.201
  629   H2''   DG  22          H2''       DG  22  -3.816  13.756  12.876
  630    H1'   DG  22           H1'       DG  22  -1.418  13.549  12.930
  631    H8    DG  22           H8        DG  22  -2.958  14.375   9.509
  632    H1    DG  22           H1        DG  22   1.098  18.766  11.943
  633    H21   DG  22           H21       DG  22   1.296  16.512  14.529
  634    H22   DG  22           H22       DG  22   1.749  18.101  13.903
  635    H5'   DC  23           H5'       DC  23  -1.584  12.722  15.885
  636   H5''   DC  23          H5''       DC  23  -2.475  12.237  17.321
  637    H4'   DC  23           H4'       DC  23  -1.113  14.065  17.925
  638    H3'   DC  23           H3'       DC  23  -3.879  14.173  18.276
  639    H2'   DC  23           H2'       DC  23  -4.371  15.719  16.646
  640   H2''   DC  23          H2''       DC  23  -3.932  16.909  17.850
  641    H1'   DC  23           H1'       DC  23  -1.763  17.188  17.079
  642    H41   DC  23           H41       DC  23  -3.768  18.159  10.845
  643    H42   DC  23           H42       DC  23  -2.745  19.508  11.352
  644    H5    DC  23           H5        DC  23  -4.298  16.316  12.364
  645    H6    DC  23           H6        DC  23  -3.807  15.416  14.625
  646    H5'   DG  24           H5'       DG  24  -2.007  17.934  20.142
  647   H5''   DG  24          H5''       DG  24  -2.794  18.427  21.641
  648    H4'   DG  24           H4'       DG  24  -2.662  20.348  20.254
  649    H3'   DG  24           H3'       DG  24  -5.463  19.212  20.289
  650   HO3'   DG  24          H3T        DG  24  -4.791  20.379  22.171
  651    H2'   DG  24           H2'       DG  24  -6.087  20.452  18.538
  652   H2''   DG  24          H2''       DG  24  -5.270  21.914  19.146
  653    H1'   DG  24           H1'       DG  24  -3.332  21.493  18.017
  654    H8    DG  24           H8        DG  24  -5.558  18.609  16.798
  655    H1    DG  24           H1        DG  24  -3.964  23.075  12.408
  656    H21   DG  24           H21       DG  24  -2.305  24.460  15.100
  657    H22   DG  24           H22       DG  24  -2.778  24.644  13.410
  Start of MODEL    9
    1    H    ALA  79           H1       ALA  79  -1.857   6.657   8.998
    2    HA   ALA  79           HA       ALA  79   1.006   5.965   9.368
    3    HB1  ALA  79           HB1      ALA  79  -0.480   3.999   9.332
    4    HB2  ALA  79           HB2      ALA  79  -1.302   4.623   7.889
    5    HB3  ALA  79           HB3      ALA  79   0.406   4.100   7.793
    6    H    ARG  80           H        ARG  80   2.297   6.011   7.502
    7    HA   ARG  80           HA       ARG  80   1.934   8.275   5.729
    8    HB2  ARG  80           HB2      ARG  80   4.020   6.074   5.873
    9    HB3  ARG  80           HB3      ARG  80   4.120   7.427   4.739
   10    HG2  ARG  80           HG2      ARG  80   3.763   7.881   7.712
   11    HG3  ARG  80           HG3      ARG  80   5.365   7.645   7.012
   12    HD2  ARG  80           HD2      ARG  80   5.300   9.666   5.844
   13    HD3  ARG  80           HD3      ARG  80   3.542   9.723   5.829
   14    HE   ARG  80           HE       ARG  80   5.333  10.440   8.107
   15   HH11  ARG  80          HH11      ARG  80   2.051  10.559   6.777
   16   HH12  ARG  80          HH12      ARG  80   1.543  11.638   8.032
   17   HH21  ARG  80          HH22      ARG  80   4.494  12.028   9.494
   18   HH22  ARG  80          HH21      ARG  80   2.771  12.330   9.496
   19    H    LYS  81           H        LYS  81  -0.266   7.248   5.154
   20    HA   LYS  81           HA       LYS  81  -0.693   5.236   3.241
   21    HB2  LYS  81           HB2      LYS  81  -2.149   7.827   3.953
   22    HB3  LYS  81           HB3      LYS  81  -2.794   6.661   2.804
   23    HG2  LYS  81           HG2      LYS  81  -3.271   5.073   4.410
   24    HG3  LYS  81           HG3      LYS  81  -2.036   5.650   5.553
   25    HD2  LYS  81           HD2      LYS  81  -3.342   7.578   6.144
   26    HD3  LYS  81           HD3      LYS  81  -4.558   7.230   4.896
   27    HE2  LYS  81           HE2      LYS  81  -5.289   5.231   6.016
   28    HE3  LYS  81           HE3      LYS  81  -3.906   5.239   7.114
   29    HZ1  LYS  81           HZ1      LYS  81  -4.770   7.209   8.185
   30    HZ2  LYS  81           HZ2      LYS  81  -6.010   7.348   7.121
   31    HZ3  LYS  81           HZ3      LYS  81  -5.963   6.088   8.173
   32    H    VAL  82           H        VAL  82  -0.431   5.090   1.286
   33    HA   VAL  82           HA       VAL  82   0.792   7.072  -0.477
   34    HB   VAL  82           HB       VAL  82  -0.469   4.367  -1.066
   35   HG11  VAL  82          HG11      VAL  82  -0.529   5.525  -3.129
   36   HG12  VAL  82          HG12      VAL  82   1.093   6.238  -2.891
   37   HG13  VAL  82          HG13      VAL  82   0.896   4.498  -3.201
   38   HG21  VAL  82          HG21      VAL  82   1.762   3.500  -1.155
   39   HG22  VAL  82          HG22      VAL  82   2.464   5.104  -0.873
   40   HG23  VAL  82          HG23      VAL  82   1.520   4.286   0.416
   41    H    LYS  83           H        LYS  83  -0.169   8.478  -1.793
   42    HA   LYS  83           HA       LYS  83  -3.052   8.188  -2.465
   43    HB2  LYS  83           HB2      LYS  83  -1.320  10.603  -2.045
   44    HB3  LYS  83           HB3      LYS  83  -2.452  10.639  -3.411
   45    HG2  LYS  83           HG2      LYS  83  -4.347  10.196  -2.031
   46    HG3  LYS  83           HG3      LYS  83  -3.332  10.002  -0.582
   47    HD2  LYS  83           HD2      LYS  83  -2.616  12.298  -0.671
   48    HD3  LYS  83           HD3      LYS  83  -3.375  12.547  -2.258
   49    HE2  LYS  83           HE2      LYS  83  -5.538  12.503  -1.440
   50    HE3  LYS  83           HE3      LYS  83  -5.063  11.734   0.101
   51    HZ1  LYS  83           HZ1      LYS  83  -5.527  14.159   0.284
   52    HZ2  LYS  83           HZ2      LYS  83  -4.041  13.738   0.799
   53    HZ3  LYS  83           HZ3      LYS  83  -4.249  14.468  -0.700
   54    H    GLN  84           H        GLN  84  -3.449   7.599  -4.479
   55    HA   GLN  84           HA       GLN  84  -1.269   7.598  -6.477
   56    HB2  GLN  84           HB2      GLN  84  -2.202   5.583  -6.947
   57    HB3  GLN  84           HB3      GLN  84  -3.708   5.936  -6.092
   58    HG2  GLN  84           HG2      GLN  84  -4.530   7.146  -8.020
   59    HG3  GLN  84           HG3      GLN  84  -2.995   6.894  -8.894
   60   HE21  GLN  84          HE21      GLN  84  -2.353   4.497  -9.256
   61   HE22  GLN  84          HE22      GLN  84  -3.682   3.383  -9.507
   62    H    TYR  85           H        TYR  85  -1.524   8.940  -8.195
   63    HA   TYR  85           HA       TYR  85  -3.878  10.801  -8.238
   64    HB2  TYR  85           HB2      TYR  85  -0.992  11.600  -8.822
   65    HB3  TYR  85           HB3      TYR  85  -2.402  12.641  -8.857
   66    HD1  TYR  85           HD2      TYR  85  -3.571  13.280  -6.763
   67    HD2  TYR  85           HD1      TYR  85   0.175  11.156  -6.736
   68    HE1  TYR  85           HE2      TYR  85  -3.153  14.093  -4.440
   69    HE2  TYR  85           HE1      TYR  85   0.609  11.950  -4.423
   70    HH   TYR  85           HH       TYR  85  -0.095  13.328  -2.713
   71    H    LYS  86           H        LYS  86  -4.743  11.036 -10.292
   72    HA   LYS  86           HA       LYS  86  -3.259   9.915 -12.643
   73    HB2  LYS  86           HB2      LYS  86  -4.811   8.220 -11.932
   74    HB3  LYS  86           HB3      LYS  86  -6.128   9.386 -11.754
   75    HG2  LYS  86           HG2      LYS  86  -6.283   9.735 -14.137
   76    HG3  LYS  86           HG3      LYS  86  -4.767   8.871 -14.435
   77    HD2  LYS  86           HD2      LYS  86  -5.829   6.770 -13.541
   78    HD3  LYS  86           HD3      LYS  86  -7.363   7.658 -13.385
   79    HE2  LYS  86           HE2      LYS  86  -7.282   8.162 -15.839
   80    HE3  LYS  86           HE3      LYS  86  -5.777   7.235 -15.965
   81    HZ1  LYS  86           HZ1      LYS  86  -7.704   5.877 -16.589
   82    HZ2  LYS  86           HZ2      LYS  86  -7.025   5.245 -15.248
   83    HZ3  LYS  86           HZ3      LYS  86  -8.411   6.103 -15.134
   84    H    ASN  87           H        ASN  87  -3.139  11.281 -14.283
   85    HA   ASN  87           HA       ASN  87  -4.464  13.891 -13.976
   86    HB2  ASN  87           HB2      ASN  87  -2.075  13.688 -14.255
   87    HB3  ASN  87           HB3      ASN  87  -2.276  12.957 -15.841
   88   HD21  ASN  87          HD22      ASN  87  -0.879  15.451 -15.067
   89   HD22  ASN  87          HD21      ASN  87  -1.728  16.737 -15.923
   90    HA   PRO  88           HA       PRO  88  -7.477  12.473 -17.092
   91    HB2  PRO  88           HB2      PRO  88  -9.189  14.641 -16.985
   92    HB3  PRO  88           HB3      PRO  88  -9.173  13.294 -15.812
   93    HG2  PRO  88           HG2      PRO  88  -7.840  16.003 -15.551
   94    HG3  PRO  88           HG3      PRO  88  -8.824  15.124 -14.333
   95    HD2  PRO  88           HD2      PRO  88  -6.127  15.078 -14.284
   96    HD3  PRO  88           HD3      PRO  88  -7.090  13.620 -13.867
   97    H    HIS  89           H        HIS  89  -5.400  15.258 -17.281
   98    HA   HIS  89           HA       HIS  89  -6.178  15.935 -20.050
   99    HB2  HIS  89           HB2      HIS  89  -3.955  17.063 -18.299
  100    HB3  HIS  89           HB3      HIS  89  -4.530  17.726 -19.822
  101    HD1  HIS  89           HD1      HIS  89  -7.140  18.730 -19.755
  102    HD2  HIS  89           HD2      HIS  89  -5.240  17.778 -16.103
  103    HE1  HIS  89           HE1      HIS  89  -8.502  19.894 -17.903
  104    HE2  HIS  89           HE2      HIS  89  -7.343  19.316 -15.685
  105    H    THR  90           H        THR  90  -3.812  13.873 -18.534
  106    HA   THR  90           HA       THR  90  -2.384  13.538 -21.162
  107    HB   THR  90           HB       THR  90  -0.348  13.150 -19.940
  108    HG1  THR  90           HG1      THR  90  -0.368  13.320 -17.670
  109   HG21  THR  90          HG21      THR  90   0.051  15.279 -18.853
  110   HG22  THR  90          HG22      THR  90  -0.970  15.571 -20.274
  111   HG23  THR  90          HG23      THR  90  -1.688  15.558 -18.643
  112    H    GLY  91           H        GLY  91  -3.940  11.828 -18.518
  113    HA2  GLY  91           HA2      GLY  91  -4.517   9.597 -18.352
  114    HA3  GLY  91           HA3      GLY  91  -3.657   9.228 -19.851
  115    H    GLU  92           H        GLU  92  -1.647  10.974 -17.596
  116    HA   GLU  92           HA       GLU  92  -0.080   8.598 -16.998
  117    HB2  GLU  92           HB2      GLU  92   0.279  11.560 -16.526
  118    HB3  GLU  92           HB3      GLU  92   1.269  10.379 -15.673
  119    HG2  GLU  92           HG2      GLU  92   1.025  10.231 -18.661
  120    HG3  GLU  92           HG3      GLU  92   2.146  11.370 -17.874
  121    H    VAL  93           H        VAL  93   0.410   8.020 -14.977
  122    HA   VAL  93           HA       VAL  93  -1.279   8.835 -12.671
  123    HB   VAL  93           HB       VAL  93  -0.495   6.033 -13.394
  124   HG11  VAL  93          HG11      VAL  93  -2.288   5.363 -11.733
  125   HG12  VAL  93          HG12      VAL  93  -0.954   6.205 -10.961
  126   HG13  VAL  93          HG13      VAL  93  -2.474   7.068 -11.285
  127   HG21  VAL  93          HG21      VAL  93  -2.965   5.698 -13.931
  128   HG22  VAL  93          HG22      VAL  93  -3.147   7.463 -13.811
  129   HG23  VAL  93          HG23      VAL  93  -2.108   6.755 -15.061
  130    H    ILE  94           H        ILE  94  -0.391   8.445 -10.686
  131    HA   ILE  94           HA       ILE  94   2.428   7.697 -10.314
  132    HB   ILE  94           HB       ILE  94   1.881   9.948  -8.596
  133   HG12  ILE  94          HG12      ILE  94   1.869  10.822 -11.506
  134   HG13  ILE  94          HG13      ILE  94   0.466  10.845 -10.422
  135   HG21  ILE  94          HG21      ILE  94   4.062  10.642  -9.191
  136   HG22  ILE  94          HG22      ILE  94   4.095   8.888  -9.181
  137   HG23  ILE  94          HG23      ILE  94   4.010   9.758 -10.740
  138   HD11  ILE  94          HD11      ILE  94   1.749  12.300  -8.843
  139   HD12  ILE  94          HD12      ILE  94   3.014  12.446 -10.086
  140   HD13  ILE  94          HD13      ILE  94   1.385  13.052 -10.419
  141    H    GLU  95           H        GLU  95   2.914   7.601  -8.010
  142    HA   GLU  95           HA       GLU  95   0.747   7.322  -6.036
  143    HB2  GLU  95           HB2      GLU  95   2.609   5.132  -6.986
  144    HB3  GLU  95           HB3      GLU  95   1.997   5.139  -5.312
  145    HG2  GLU  95           HG2      GLU  95  -0.281   5.027  -6.041
  146    HG3  GLU  95           HG3      GLU  95   0.188   5.190  -7.742
  147    H    THR  96           H        THR  96   1.443   8.515  -4.344
  148    HA   THR  96           HA       THR  96   4.266   8.339  -3.425
  149    HB   THR  96           HB       THR  96   4.879  10.474  -3.724
  150    HG1  THR  96           HG1      THR  96   3.506  12.239  -3.519
  151   HG21  THR  96          HG21      THR  96   4.182   9.940  -6.074
  152   HG22  THR  96          HG22      THR  96   2.571  10.612  -5.717
  153   HG23  THR  96          HG23      THR  96   4.021  11.649  -5.698
  154    H    LYS  97           H        LYS  97   4.538   8.984  -1.186
  155    HA   LYS  97           HA       LYS  97   1.997   8.964   0.412
  156    HB2  LYS  97           HB2      LYS  97   4.862   8.759   1.312
  157    HB3  LYS  97           HB3      LYS  97   3.447   8.407   2.291
  158    HG2  LYS  97           HG2      LYS  97   2.949   6.413   1.012
  159    HG3  LYS  97           HG3      LYS  97   4.174   6.802  -0.198
  160    HD2  LYS  97           HD2      LYS  97   5.900   6.674   1.727
  161    HD3  LYS  97           HD3      LYS  97   4.621   5.905   2.659
  162    HE2  LYS  97           HE2      LYS  97   5.957   4.174   1.721
  163    HE3  LYS  97           HE3      LYS  97   4.434   4.162   0.831
  164    HZ1  LYS  97           HZ1      LYS  97   6.424   4.008  -0.633
  165    HZ2  LYS  97           HZ2      LYS  97   5.576   5.362  -0.986
  166    HZ3  LYS  97           HZ3      LYS  97   6.956   5.480  -0.135
  167    H    GLY  98           H        GLY  98   3.433  11.296  -1.102
  168    HA2  GLY  98           HA2      GLY  98   2.863  13.638  -0.416
  169    HA3  GLY  98           HA3      GLY  98   3.713  13.290   1.095
  170    H    GLY  99           H        GLY  99   4.911  15.167   0.482
  171    HA2  GLY  99           HA2      GLY  99   6.945  16.040   0.159
  172    HA3  GLY  99           HA3      GLY  99   7.505  14.461  -0.358
  173    H    ASN 100           H        ASN 100   8.620  16.674  -1.269
  174    HA   ASN 100           HA       ASN 100   8.010  17.601  -3.878
  175    HB2  ASN 100           HB2      ASN 100   9.682  18.709  -2.592
  176    HB3  ASN 100           HB3      ASN 100  10.444  17.216  -2.142
  177   HD21  ASN 100          HD22      ASN 100  12.315  18.572  -2.607
  178   HD22  ASN 100          HD21      ASN 100  13.024  18.210  -4.168
  179    H    HIS 101           H        HIS 101   7.271  16.102  -5.303
  180    HA   HIS 101           HA       HIS 101   9.130  13.950  -6.202
  181    HB2  HIS 101           HB2      HIS 101   7.209  13.088  -4.802
  182    HB3  HIS 101           HB3      HIS 101   6.098  13.695  -6.025
  183    HD1  HIS 101           HD1      HIS 101   9.004  11.080  -5.681
  184    HD2  HIS 101           HD2      HIS 101   5.706  12.124  -8.134
  185    HE1  HIS 101           HE1      HIS 101   8.728   9.189  -7.378
  186    HE2  HIS 101           HE2      HIS 101   6.751   9.820  -8.889
  187    H    LYS 102           H        LYS 102   9.621  14.104  -8.328
  188    HA   LYS 102           HA       LYS 102   9.316  16.396  -9.761
  189    HB2  LYS 102           HB2      LYS 102  10.924  14.543 -10.117
  190    HB3  LYS 102           HB3      LYS 102   9.722  13.755 -11.156
  191    HG2  LYS 102           HG2      LYS 102   9.605  15.766 -12.591
  192    HG3  LYS 102           HG3      LYS 102  10.677  16.653 -11.504
  193    HD2  LYS 102           HD2      LYS 102  11.430  14.156 -13.042
  194    HD3  LYS 102           HD3      LYS 102  11.777  15.827 -13.545
  195    HE2  LYS 102           HE2      LYS 102  13.113  16.167 -11.460
  196    HE3  LYS 102           HE3      LYS 102  12.812  14.487 -11.003
  197    HZ1  LYS 102           HZ1      LYS 102  14.349  15.375 -13.387
  198    HZ2  LYS 102           HZ2      LYS 102  14.933  14.662 -12.027
  199    HZ3  LYS 102           HZ3      LYS 102  13.990  13.806 -13.054
  200    H    THR 103           H        THR 103   7.441  13.558 -11.020
  201    HA   THR 103           HA       THR 103   5.964  15.108 -12.842
  202    HB   THR 103           HB       THR 103   4.976  12.557 -11.530
  203    HG1  THR 103           HG1      THR 103   6.068  11.573 -13.280
  204   HG21  THR 103          HG21      THR 103   4.352  14.030 -14.113
  205   HG22  THR 103          HG22      THR 103   3.928  12.305 -13.880
  206   HG23  THR 103          HG23      THR 103   3.225  13.542 -12.833
  207    H    LEU 104           H        LEU 104   5.116  14.321  -9.487
  208    HA   LEU 104           HA       LEU 104   2.483  15.406  -9.472
  209    HB2  LEU 104           HB2      LEU 104   3.467  13.842  -7.785
  210    HB3  LEU 104           HB3      LEU 104   4.537  15.126  -7.231
  211    HG   LEU 104           HG       LEU 104   2.638  16.410  -6.388
  212   HD11  LEU 104          HD11      LEU 104   0.870  15.721  -7.965
  213   HD12  LEU 104          HD12      LEU 104   0.950  14.051  -7.359
  214   HD13  LEU 104          HD13      LEU 104   0.380  15.352  -6.306
  215   HD21  LEU 104          HD21      LEU 104   2.001  14.905  -4.572
  216   HD22  LEU 104          HD22      LEU 104   2.543  13.499  -5.497
  217   HD23  LEU 104          HD23      LEU 104   3.721  14.725  -4.943
  218    H    LYS 105           H        LYS 105   5.671  16.938  -8.959
  219    HA   LYS 105           HA       LYS 105   4.583  19.566  -8.286
  220    HB2  LYS 105           HB2      LYS 105   7.339  18.586  -9.148
  221    HB3  LYS 105           HB3      LYS 105   7.003  20.285  -8.902
  222    HG2  LYS 105           HG2      LYS 105   6.716  18.105  -6.782
  223    HG3  LYS 105           HG3      LYS 105   8.069  19.214  -6.943
  224    HD2  LYS 105           HD2      LYS 105   5.218  19.895  -6.120
  225    HD3  LYS 105           HD3      LYS 105   6.686  19.984  -5.150
  226    HE2  LYS 105           HE2      LYS 105   7.568  21.777  -6.709
  227    HE3  LYS 105           HE3      LYS 105   6.021  21.742  -7.565
  228    HZ1  LYS 105           HZ1      LYS 105   6.428  22.509  -4.718
  229    HZ2  LYS 105           HZ2      LYS 105   5.926  23.494  -5.936
  230    HZ3  LYS 105           HZ3      LYS 105   4.960  22.281  -5.348
  231    H    GLU 106           H        GLU 106   5.364  17.996 -11.396
  232    HA   GLU 106           HA       GLU 106   5.174  20.455 -12.884
  233    HB2  GLU 106           HB2      GLU 106   4.489  17.696 -13.938
  234    HB3  GLU 106           HB3      GLU 106   5.001  19.133 -14.854
  235    HG2  GLU 106           HG2      GLU 106   7.186  18.936 -13.463
  236    HG3  GLU 106           HG3      GLU 106   6.540  17.343 -13.018
  237    H    TRP 107           H        TRP 107   2.914  17.858 -12.095
  238    HA   TRP 107           HA       TRP 107   0.659  18.949 -13.459
  239    HB2  TRP 107           HB2      TRP 107   0.695  17.258 -10.941
  240    HB3  TRP 107           HB3      TRP 107  -0.727  17.598 -11.928
  241    HD1  TRP 107           HD1      TRP 107   2.028  16.878 -14.283
  242    HE1  TRP 107           HE1      TRP 107   1.941  14.446 -15.075
  243    HE3  TRP 107           HE3      TRP 107  -1.388  15.034 -10.934
  244    HZ2  TRP 107           HZ2      TRP 107   0.807  11.989 -14.199
  245    HZ3  TRP 107           HZ3      TRP 107  -2.042  12.644 -11.040
  246    HH2  TRP 107           HH2      TRP 107  -0.919  11.101 -12.631
  247    H    LYS 108           H        LYS 108   1.829  19.700 -10.174
  248    HA   LYS 108           HA       LYS 108  -0.340  21.501  -9.499
  249    HB2  LYS 108           HB2      LYS 108   2.564  21.379  -8.547
  250    HB3  LYS 108           HB3      LYS 108   1.349  22.492  -7.907
  251    HG2  LYS 108           HG2      LYS 108  -0.101  20.541  -7.323
  252    HG3  LYS 108           HG3      LYS 108   1.199  19.456  -7.825
  253    HD2  LYS 108           HD2      LYS 108   2.725  20.625  -6.189
  254    HD3  LYS 108           HD3      LYS 108   1.336  21.582  -5.632
  255    HE2  LYS 108           HE2      LYS 108   0.146  19.346  -5.158
  256    HE3  LYS 108           HE3      LYS 108   1.649  18.534  -5.581
  257    HZ1  LYS 108           HZ1      LYS 108   1.770  18.761  -3.314
  258    HZ2  LYS 108           HZ2      LYS 108   2.686  20.068  -3.807
  259    HZ3  LYS 108           HZ3      LYS 108   1.154  20.289  -3.261
  260    H    ALA 109           H        ALA 109   2.728  21.972 -11.310
  261    HA   ALA 109           HA       ALA 109   2.556  24.819 -11.455
  262    HB1  ALA 109           HB1      ALA 109   4.615  23.402 -11.906
  263    HB2  ALA 109           HB2      ALA 109   3.860  22.882 -13.435
  264    HB3  ALA 109           HB3      ALA 109   4.249  24.583 -13.192
  265    H    LYS 110           H        LYS 110   1.721  22.203 -13.696
  266    HA   LYS 110           HA       LYS 110   0.846  23.803 -15.725
  267    HB2  LYS 110           HB2      LYS 110   0.684  20.859 -15.138
  268    HB3  LYS 110           HB3      LYS 110  -0.017  21.505 -16.639
  269    HG2  LYS 110           HG2      LYS 110   2.168  22.466 -17.266
  270    HG3  LYS 110           HG3      LYS 110   2.883  21.878 -15.765
  271    HD2  LYS 110           HD2      LYS 110   3.548  20.296 -17.399
  272    HD3  LYS 110           HD3      LYS 110   2.254  19.521 -16.497
  273    HE2  LYS 110           HE2      LYS 110   1.737  19.021 -18.740
  274    HE3  LYS 110           HE3      LYS 110   0.646  20.345 -18.335
  275    HZ1  LYS 110           HZ1      LYS 110   2.184  21.875 -19.496
  276    HZ2  LYS 110           HZ2      LYS 110   3.210  20.643 -19.836
  277    HZ3  LYS 110           HZ3      LYS 110   1.722  20.680 -20.501
  278    H    TRP 111           H        TRP 111  -1.062  22.231 -13.211
  279    HA   TRP 111           HA       TRP 111  -3.569  23.518 -14.266
  280    HB2  TRP 111           HB2      TRP 111  -3.325  20.705 -13.164
  281    HB3  TRP 111           HB3      TRP 111  -4.814  21.503 -13.649
  282    HD1  TRP 111           HD1      TRP 111  -5.142  21.994 -16.305
  283    HE1  TRP 111           HE1      TRP 111  -4.221  20.812 -18.392
  284    HE3  TRP 111           HE3      TRP 111  -1.362  19.375 -14.120
  285    HZ2  TRP 111           HZ2      TRP 111  -2.080  18.959 -19.031
  286    HZ3  TRP 111           HZ3      TRP 111   0.193  17.992 -15.509
  287    HH2  TRP 111           HH2      TRP 111  -0.196  17.717 -17.928
  288    H    GLY 112           H        GLY 112  -2.202  21.984 -11.269
  289    HA2  GLY 112           HA2      GLY 112  -2.049  23.931  -9.548
  290    HA3  GLY 112           HA3      GLY 112  -3.802  23.937  -9.624
  291    HA   PRO 113           HA       PRO 113  -2.077  20.697  -6.532
  292    HB2  PRO 113           HB2      PRO 113  -2.384  22.076  -4.131
  293    HB3  PRO 113           HB3      PRO 113  -0.869  21.940  -5.067
  294    HG2  PRO 113           HG2      PRO 113  -2.877  24.197  -5.069
  295    HG3  PRO 113           HG3      PRO 113  -1.081  24.284  -5.033
  296    HD2  PRO 113           HD2      PRO 113  -2.494  24.664  -7.318
  297    HD3  PRO 113           HD3      PRO 113  -0.918  23.814  -7.333
  298    H    GLU 114           H        GLU 114  -4.828  22.958  -6.325
  299    HA   GLU 114           HA       GLU 114  -6.591  21.384  -4.728
  300    HB2  GLU 114           HB2      GLU 114  -7.411  23.137  -7.058
  301    HB3  GLU 114           HB3      GLU 114  -8.302  22.729  -5.575
  302    HG2  GLU 114           HG2      GLU 114  -6.492  24.008  -4.302
  303    HG3  GLU 114           HG3      GLU 114  -5.874  24.508  -5.887
  304    H    ALA 115           H        ALA 115  -6.116  21.640  -8.189
  305    HA   ALA 115           HA       ALA 115  -8.018  19.773  -9.144
  306    HB1  ALA 115           HB1      ALA 115  -6.631  21.520 -10.436
  307    HB2  ALA 115           HB2      ALA 115  -5.292  20.315 -10.422
  308    HB3  ALA 115           HB3      ALA 115  -6.819  19.923 -11.218
  309    H    VAL 116           H        VAL 116  -4.534  19.459  -8.608
  310    HA   VAL 116           HA       VAL 116  -4.178  16.842  -9.221
  311    HB   VAL 116           HB       VAL 116  -2.710  18.794  -7.453
  312   HG11  VAL 116          HG11      VAL 116  -0.728  17.391  -7.441
  313   HG12  VAL 116          HG12      VAL 116  -2.026  16.632  -6.528
  314   HG13  VAL 116          HG13      VAL 116  -1.656  16.039  -8.161
  315   HG21  VAL 116          HG21      VAL 116  -2.875  19.051  -9.980
  316   HG22  VAL 116          HG22      VAL 116  -1.217  18.909  -9.356
  317   HG23  VAL 116          HG23      VAL 116  -2.025  17.513 -10.119
  318    H    GLU 117           H        GLU 117  -4.851  18.170  -5.938
  319    HA   GLU 117           HA       GLU 117  -4.924  15.618  -4.572
  320    HB2  GLU 117           HB2      GLU 117  -6.086  18.409  -4.079
  321    HB3  GLU 117           HB3      GLU 117  -6.461  17.082  -2.995
  322    HG2  GLU 117           HG2      GLU 117  -3.570  17.724  -3.616
  323    HG3  GLU 117           HG3      GLU 117  -4.487  18.702  -2.471
  324    H    SER 118           H        SER 118  -7.385  17.506  -6.359
  325    HA   SER 118           HA       SER 118  -9.650  15.956  -5.438
  326    HB2  SER 118           HB2      SER 118  -9.388  17.639  -7.960
  327    HB3  SER 118           HB3      SER 118 -10.886  16.976  -7.301
  328    HG   SER 118           HG       SER 118  -9.169  18.922  -6.147
  329    H    TRP 119           H        TRP 119  -7.384  15.567  -8.121
  330    HA   TRP 119           HA       TRP 119  -8.754  13.338  -9.368
  331    HB2  TRP 119           HB2      TRP 119  -5.802  14.015  -9.460
  332    HB3  TRP 119           HB3      TRP 119  -6.731  13.048 -10.590
  333    HD1  TRP 119           HD1      TRP 119  -9.093  15.465 -10.763
  334    HE1  TRP 119           HE1      TRP 119  -8.586  17.454 -12.288
  335    HE3  TRP 119           HE3      TRP 119  -4.028  14.840 -11.237
  336    HZ2  TRP 119           HZ2      TRP 119  -6.261  18.659 -13.525
  337    HZ3  TRP 119           HZ3      TRP 119  -2.701  16.400 -12.652
  338    HH2  TRP 119           HH2      TRP 119  -3.798  18.310 -13.778
  339    H    ALA 120           H        ALA 120  -7.058  13.429  -6.322
  340    HA   ALA 120           HA       ALA 120  -5.573  11.063  -6.663
  341    HB1  ALA 120           HB1      ALA 120  -6.370  12.190  -3.971
  342    HB2  ALA 120           HB2      ALA 120  -4.890  11.310  -4.433
  343    HB3  ALA 120           HB3      ALA 120  -5.156  12.973  -4.999
  344    H    THR 121           H        THR 121  -5.589   9.429  -5.214
  345    HA   THR 121           HA       THR 121  -8.112   7.937  -4.461
  346    HB   THR 121           HB       THR 121  -5.748   6.923  -6.075
  347    HG1  THR 121           HG1      THR 121  -8.429   7.384  -6.959
  348   HG21  THR 121          HG21      THR 121  -8.367   5.703  -5.123
  349   HG22  THR 121          HG22      THR 121  -7.399   4.958  -6.429
  350   HG23  THR 121          HG23      THR 121  -6.719   5.101  -4.804
  351    H    LEU 122           H        LEU 122  -7.812   6.640  -2.694
  352    HA   LEU 122           HA       LEU 122  -5.278   7.026  -1.167
  353    HB2  LEU 122           HB2      LEU 122  -7.251   7.817  -0.056
  354    HB3  LEU 122           HB3      LEU 122  -8.139   6.339  -0.421
  355    HG   LEU 122           HG       LEU 122  -6.702   5.038   1.105
  356   HD11  LEU 122          HD11      LEU 122  -5.154   6.124   2.655
  357   HD12  LEU 122          HD12      LEU 122  -4.588   6.314   0.999
  358   HD13  LEU 122          HD13      LEU 122  -5.369   7.681   1.815
  359   HD21  LEU 122          HD21      LEU 122  -8.760   6.116   1.959
  360   HD22  LEU 122          HD22      LEU 122  -7.509   5.999   3.210
  361   HD23  LEU 122          HD23      LEU 122  -7.818   7.554   2.409
  362    H    LEU 123           H        LEU 123  -3.911   5.405  -1.013
  363    HA   LEU 123           HA       LEU 123  -4.783   2.587  -1.452
  364    HB2  LEU 123           HB2      LEU 123  -2.222   4.006  -2.288
  365    HB3  LEU 123           HB3      LEU 123  -2.552   2.278  -2.487
  366    HG   LEU 123           HG       LEU 123  -4.066   4.597  -3.789
  367   HD11  LEU 123          HD11      LEU 123  -1.829   4.274  -4.670
  368   HD12  LEU 123          HD12      LEU 123  -2.087   2.532  -4.857
  369   HD13  LEU 123          HD13      LEU 123  -3.009   3.664  -5.862
  370   HD21  LEU 123          HD21      LEU 123  -5.572   2.632  -3.492
  371   HD22  LEU 123          HD22      LEU 123  -5.139   2.841  -5.188
  372   HD23  LEU 123          HD23      LEU 123  -4.348   1.572  -4.212
  373    H    GLY 124           H        GLY 124  -4.612   1.373   0.177
  374    HA2  GLY 124           HA2      GLY 124  -3.141   2.139   2.596
  375    HA3  GLY 124           HA3      GLY 124  -4.241   0.775   2.402
  376    H    HIS 125           H        HIS 125  -2.231   0.239  -0.072
  377    HA   HIS 125           HA       HIS 125   0.142  -0.799   1.280
  378    HB2  HIS 125           HB2      HIS 125  -0.235  -3.135   0.486
  379    HB3  HIS 125           HB3      HIS 125  -1.299  -2.626   1.785
  380    HD1  HIS 125           HD1      HIS 125  -1.985  -1.914  -1.939
  381    HD2  HIS 125           HD2      HIS 125  -3.340  -4.228   1.316
  382    HE1  HIS 125           HE1      HIS 125  -4.179  -3.082  -2.725
  383    HE2  HIS 125           HE2      HIS 125  -4.992  -4.475  -0.711
  384    H5'   DC   1           H5'       DC   1  -4.660  29.346   7.465
  385   H5''   DC   1          H5''       DC   1  -3.273  30.163   6.757
  386    H4'   DC   1           H4'       DC   1  -2.970  30.087   9.120
  387    H3'   DC   1           H3'       DC   1  -1.115  28.973   7.343
  388    H2'   DC   1           H2'       DC   1  -1.254  26.810   7.908
  389   H2''   DC   1          H2''       DC   1  -0.274  27.210   9.308
  390    H1'   DC   1           H1'       DC   1  -2.037  27.382  10.762
  391    H41   DC   1           H41       DC   1  -4.878  21.742   8.769
  392    H42   DC   1           H42       DC   1  -4.782  21.746  10.536
  393    H5    DC   1           H5        DC   1  -4.050  23.653   7.427
  394    H6    DC   1           H6        DC   1  -3.074  25.864   7.604
  395   HO5'   DC   1          H5T        DC   1  -3.910  28.258   5.547
  396    H5'   DG   2           H5'       DG   2   0.222  29.278  11.903
  397   H5''   DG   2          H5''       DG   2   1.815  30.030  11.960
  398    H4'   DG   2           H4'       DG   2   1.794  28.471  13.699
  399    H3'   DG   2           H3'       DG   2   3.675  28.122  11.632
  400    H2'   DG   2           H2'       DG   2   2.648  26.242  10.742
  401   H2''   DG   2          H2''       DG   2   3.683  25.415  11.917
  402    H1'   DG   2           H1'       DG   2   1.956  25.348  13.572
  403    H8    DG   2           H8        DG   2   0.766  25.426   9.934
  404    H1    DG   2           H1        DG   2  -1.294  20.374  13.367
  405    H21   DG   2           H21       DG   2   0.529  21.855  15.872
  406    H22   DG   2           H22       DG   2  -0.470  20.488  15.366
  407    H5'   DC   3           H5'       DC   3   4.049  25.635  15.634
  408   H5''   DC   3          H5''       DC   3   5.736  25.570  16.151
  409    H4'   DC   3           H4'       DC   3   4.616  23.548  16.795
  410    H3'   DC   3           H3'       DC   3   6.885  23.471  14.968
  411    H2'   DC   3           H2'       DC   3   6.080  21.968  13.502
  412   H2''   DC   3          H2''       DC   3   6.000  20.762  14.795
  413    H1'   DC   3           H1'       DC   3   3.791  21.082  15.225
  414    H41   DC   3           H41       DC   3   1.788  21.626   8.942
  415    H42   DC   3           H42       DC   3   1.113  20.163   9.674
  416    H5    DC   3           H5        DC   3   3.399  23.029  10.164
  417    H6    DC   3           H6        DC   3   4.456  23.337  12.395
  418    H5'   DA   4           H5'       DA   4   5.970  19.731  17.303
  419   H5''   DA   4          H5''       DA   4   7.377  19.020  18.099
  420    H4'   DA   4           H4'       DA   4   6.107  17.241  17.237
  421    H3'   DA   4           H3'       DA   4   8.752  17.673  16.176
  422    H2'   DA   4           H2'       DA   4   8.011  18.010  14.033
  423   H2''   DA   4          H2''       DA   4   8.016  16.250  13.935
  424    H1'   DA   4           H1'       DA   4   5.697  16.081  14.563
  425    H8    DA   4           H8        DA   4   6.679  19.395  12.942
  426    H61   DA   4           H61       DA   4   2.550  17.778   8.534
  427    H62   DA   4           H62       DA   4   3.584  19.088   9.090
  428    H2    DA   4           H2        DA   4   2.833  14.494  11.358
  429    H5'   DT   5           H5'       DT   5   6.895  13.488  15.407
  430   H5''   DT   5          H5''       DT   5   8.067  12.230  15.818
  431    H4'   DT   5           H4'       DT   5   6.903  11.497  13.909
  432    H3'   DT   5           H3'       DT   5   9.734  11.922  13.749
  433    H2'   DT   5           H2'       DT   5   9.611  13.520  12.107
  434   H2''   DT   5          H2''       DT   5   9.459  12.135  11.008
  435    H1'   DT   5           H1'       DT   5   7.087  12.174  11.056
  436    H3    DT   5           H3        DT   5   5.536  15.333   8.223
  437    H71   DT   5           H71       DT   5   9.342  17.974   9.640
  438    H72   DT   5           H72       DT   5   8.085  18.627  10.691
  439    H73   DT   5           H73       DT   5   9.372  17.608  11.379
  440    H6    DT   5           H6        DT   5   8.804  15.437  11.782
  441    H5'   DA   6           H5'       DA   6   7.272   9.097  10.931
  442   H5''   DA   6          H5''       DA   6   8.180   7.598  10.732
  443    H4'   DA   6           H4'       DA   6   6.819   7.884   8.830
  444    H3'   DA   6           H3'       DA   6   9.582   7.572   8.540
  445    H2'   DA   6           H2'       DA   6  10.080   9.726   7.966
  446   H2''   DA   6          H2''       DA   6   9.684   9.197   6.343
  447    H1'   DA   6           H1'       DA   6   7.513  10.061   6.396
  448    H8    DA   6           H8        DA   6   9.971  11.642   8.887
  449    H61   DA   6           H61       DA   6   8.318  16.961   6.033
  450    H62   DA   6           H62       DA   6   9.464  16.284   7.189
  451    H2    DA   6           H2        DA   6   5.889  13.773   4.404
  452    H5'   DT   7           H5'       DT   7   6.816   7.881   5.092
  453   H5''   DT   7          H5''       DT   7   7.028   6.713   3.787
  454    H4'   DT   7           H4'       DT   7   6.236   8.856   2.955
  455    H3'   DT   7           H3'       DT   7   8.533   7.548   1.893
  456    H2'   DT   7           H2'       DT   7   9.995   9.225   2.622
  457   H2''   DT   7          H2''       DT   7   9.522   9.975   1.076
  458    H1'   DT   7           H1'       DT   7   7.683  11.156   2.089
  459    H3    DT   7           H3        DT   7   9.826  14.941   3.290
  460    H71   DT   7           H71       DT   7  12.101  10.797   6.010
  461    H72   DT   7           H72       DT   7  13.104  12.151   5.446
  462    H73   DT   7           H73       DT   7  11.979  12.393   6.787
  463    H6    DT   7           H6        DT   7  10.369  10.315   4.512
  464    H5'   DA   8           H5'       DA   8   7.384  10.818  -1.415
  465   H5''   DA   8          H5''       DA   8   7.469   9.918  -2.927
  466    H4'   DA   8           H4'       DA   8   8.723  11.835  -3.348
  467    H3'   DA   8           H3'       DA   8  10.369   9.425  -3.007
  468    H2'   DA   8           H2'       DA   8  11.794  10.387  -1.542
  469   H2''   DA   8          H2''       DA   8  12.409  11.324  -2.934
  470    H1'   DA   8           H1'       DA   8  11.023  13.156  -2.517
  471    H8    DA   8           H8        DA   8  11.552  11.020   0.747
  472    H61   DA   8           H61       DA   8  13.393  16.616   2.980
  473    H62   DA   8           H62       DA   8  13.110  14.961   3.517
  474    H2    DA   8           H2        DA   8  12.280  17.145  -1.063
  475    H5'   DT   9           H5'       DT   9  11.036  12.830  -6.169
  476   H5''   DT   9          H5''       DT   9  11.775  12.110  -7.608
  477    H4'   DT   9           H4'       DT   9  12.395  14.423  -7.501
  478    H3'   DT   9           H3'       DT   9  14.331  12.352  -7.526
  479    H2'   DT   9           H2'       DT   9  15.280  12.740  -5.529
  480   H2''   DT   9          H2''       DT   9  16.102  14.095  -6.281
  481    H1'   DT   9           H1'       DT   9  14.573  15.692  -5.578
  482    H3    DT   9           H3        DT   9  15.409  16.416  -1.204
  483    H71   DT   9           H71       DT   9  14.609  11.059  -1.918
  484    H72   DT   9           H72       DT   9  15.960  11.619  -0.910
  485    H73   DT   9           H73       DT   9  14.310  11.805  -0.329
  486    H6    DT   9           H6        DT   9  14.225  12.470  -3.725
  487    H5'   DG  10           H5'       DG  10  15.229  16.805  -8.126
  488   H5''   DG  10          H5''       DG  10  16.137  16.997  -9.625
  489    H4'   DG  10           H4'       DG  10  16.668  18.843  -8.256
  490    H3'   DG  10           H3'       DG  10  18.681  17.171  -9.211
  491    H2'   DG  10           H2'       DG  10  19.060  16.083  -7.191
  492   H2''   DG  10          H2''       DG  10  20.216  17.399  -6.959
  493    H1'   DG  10           H1'       DG  10  18.691  18.713  -5.707
  494    H8    DG  10           H8        DG  10  18.000  14.956  -5.651
  495    H1    DG  10           H1        DG  10  19.134  17.588   0.113
  496    H21   DG  10           H21       DG  10  19.576  20.445  -1.737
  497    H22   DG  10           H22       DG  10  19.673  19.657  -0.158
  498    H5'   DC  11           H5'       DC  11  19.926  21.219  -6.997
  499   H5''   DC  11          H5''       DC  11  21.048  22.023  -8.092
  500    H4'   DC  11           H4'       DC  11  21.531  22.719  -5.870
  501    H3'   DC  11           H3'       DC  11  23.503  21.612  -7.510
  502    H2'   DC  11           H2'       DC  11  23.738  19.589  -6.434
  503   H2''   DC  11          H2''       DC  11  24.815  20.476  -5.360
  504    H1'   DC  11           H1'       DC  11  23.199  20.853  -3.742
  505    H41   DC  11           H41       DC  11  21.216  14.561  -3.313
  506    H42   DC  11           H42       DC  11  21.510  15.195  -1.691
  507    H5    DC  11           H5        DC  11  21.622  15.903  -5.296
  508    H6    DC  11           H6        DC  11  22.222  18.193  -6.058
  509    H5'   DG  12           H5'       DG  12  25.373  23.059  -3.528
  510   H5''   DG  12          H5''       DG  12  26.985  23.759  -3.726
  511    H4'   DG  12           H4'       DG  12  27.067  22.167  -1.947
  512    H3'   DG  12           H3'       DG  12  28.425  21.230  -4.468
  513   HO3'   DG  12          H3T        DG  12  30.271  21.552  -3.100
  514    H2'   DG  12           H2'       DG  12  28.453  19.085  -3.800
  515   H2''   DG  12          H2''       DG  12  28.994  19.509  -2.155
  516    H1'   DG  12           H1'       DG  12  26.873  19.580  -1.309
  517    H8    DG  12           H8        DG  12  26.223  18.497  -4.937
  518    H1    DG  12           H1        DG  12  24.649  14.224  -0.360
  519    H21   DG  12           H21       DG  12  26.000  16.624   1.714
  520    H22   DG  12           H22       DG  12  25.367  14.982   1.580
  521    H5'   DC  13           H5'       DC  13  24.838   7.614   4.782
  522   H5''   DC  13          H5''       DC  13  24.163   7.747   6.400
  523    H4'   DC  13           H4'       DC  13  25.619   9.614   5.981
  524    H3'   DC  13           H3'       DC  13  22.983   9.886   6.821
  525    H2'   DC  13           H2'       DC  13  22.128  10.735   4.833
  526   H2''   DC  13          H2''       DC  13  22.665  12.285   5.517
  527    H1'   DC  13           H1'       DC  13  24.739  12.218   4.430
  528    H41   DC  13           H41       DC  13  22.105  11.617  -1.602
  529    H42   DC  13           H42       DC  13  23.339  12.881  -1.646
  530    H5    DC  13           H5        DC  13  21.558  10.400   0.455
  531    H6    DC  13           H6        DC  13  22.206  10.127   2.786
  532   HO5'   DC  13          H5T        DC  13  22.567   7.094   4.811
  533    H5'   DG  14           H5'       DG  14  25.707  14.062   7.036
  534   H5''   DG  14          H5''       DG  14  25.405  14.520   8.708
  535    H4'   DG  14           H4'       DG  14  25.759  16.522   7.605
  536    H3'   DG  14           H3'       DG  14  23.299  16.144   8.841
  537    H2'   DG  14           H2'       DG  14  22.060  15.765   6.897
  538   H2''   DG  14          H2''       DG  14  21.902  17.502   6.912
  539    H1'   DG  14           H1'       DG  14  23.607  17.854   5.374
  540    H8    DG  14           H8        DG  14  22.091  14.351   5.294
  541    H1    DG  14           H1        DG  14  22.395  17.330  -0.412
  542    H21   DG  14           H21       DG  14  23.892  19.814   1.426
  543    H22   DG  14           H22       DG  14  23.283  19.282  -0.146
  544    H5'   DC  15           H5'       DC  15  23.883  20.186   6.800
  545   H5''   DC  15          H5''       DC  15  23.184  21.603   7.590
  546    H4'   DC  15           H4'       DC  15  22.769  21.632   5.204
  547    H3'   DC  15           H3'       DC  15  20.414  21.368   7.015
  548    H2'   DC  15           H2'       DC  15  19.115  20.416   5.449
  549   H2''   DC  15          H2''       DC  15  19.487  21.689   4.269
  550    H1'   DC  15           H1'       DC  15  21.218  20.585   3.312
  551    H41   DC  15           H41       DC  15  18.428  14.605   3.075
  552    H42   DC  15           H42       DC  15  18.472  15.323   1.455
  553    H5    DC  15           H5        DC  15  19.099  15.915   5.053
  554    H6    DC  15           H6        DC  15  20.114  18.074   5.739
  555    H5'   DA  16           H5'       DA  16  20.593  23.779   3.314
  556   H5''   DA  16          H5''       DA  16  20.033  25.443   3.469
  557    H4'   DA  16           H4'       DA  16  19.481  24.738   1.304
  558    H3'   DA  16           H3'       DA  16  17.432  25.528   3.093
  559    H2'   DA  16           H2'       DA  16  16.552  23.403   3.300
  560   H2''   DA  16          H2''       DA  16  15.595  23.889   1.900
  561    H1'   DA  16           H1'       DA  16  17.142  22.915   0.341
  562    H8    DA  16           H8        DA  16  17.209  21.377   3.831
  563    H61   DA  16           H61       DA  16  15.680  16.073   0.876
  564    H62   DA  16           H62       DA  16  16.191  16.720   2.428
  565    H2    DA  16           H2        DA  16  15.505  19.297  -2.009
  566    H5'   DT  17           H5'       DT  17  15.966  24.861  -1.197
  567   H5''   DT  17          H5''       DT  17  14.902  26.152  -1.765
  568    H4'   DT  17           H4'       DT  17  14.015  24.067  -2.502
  569    H3'   DT  17           H3'       DT  17  12.460  25.715  -0.694
  570    H2'   DT  17           H2'       DT  17  12.161  24.050   0.846
  571   H2''   DT  17          H2''       DT  17  10.934  23.415  -0.263
  572    H1'   DT  17           H1'       DT  17  12.494  22.012  -1.405
  573    H3    DT  17           H3        DT  17  12.898  18.226   1.030
  574    H71   DT  17           H71       DT  17  12.851  21.060   4.941
  575    H72   DT  17           H72       DT  17  14.587  20.917   4.649
  576    H73   DT  17           H73       DT  17  13.757  22.462   4.338
  577    H6    DT  17           H6        DT  17  13.403  22.884   2.122
  578    H5'   DA  18           H5'       DA  18  10.461  22.483  -2.993
  579   H5''   DA  18          H5''       DA  18   9.102  23.081  -3.947
  580    H4'   DA  18           H4'       DA  18   8.430  20.973  -3.284
  581    H3'   DA  18           H3'       DA  18   7.026  23.129  -1.894
  582    H2'   DA  18           H2'       DA  18   7.507  22.336   0.161
  583   H2''   DA  18          H2''       DA  18   6.207  21.165  -0.170
  584    H1'   DA  18           H1'       DA  18   7.709  19.527  -0.932
  585    H8    DA  18           H8        DA  18   9.079  21.943   1.724
  586    H61   DA  18           H61       DA  18  10.877  16.527   4.422
  587    H62   DA  18           H62       DA  18  10.790  18.258   4.764
  588    H2    DA  18           H2        DA  18   9.480  15.645   0.512
  589    H5'   DT  19           H5'       DT  19   5.784  18.836  -2.391
  590   H5''   DT  19          H5''       DT  19   4.240  18.813  -3.250
  591    H4'   DT  19           H4'       DT  19   3.988  17.006  -1.778
  592    H3'   DT  19           H3'       DT  19   2.410  19.309  -1.106
  593    H2'   DT  19           H2'       DT  19   3.711  19.889   0.694
  594   H2''   DT  19          H2''       DT  19   2.560  18.806   1.523
  595    H1'   DT  19           H1'       DT  19   3.965  16.866   1.119
  596    H3    DT  19           H3        DT  19   6.936  16.488   4.438
  597    H71   DT  19           H71       DT  19   6.095  21.311   4.809
  598    H72   DT  19           H72       DT  19   7.751  21.214   4.222
  599    H73   DT  19           H73       DT  19   6.461  21.764   3.128
  600    H6    DT  19           H6        DT  19   5.404  20.181   1.767
  601    H5'   DA  20           H5'       DA  20  -1.362  15.575  -0.194
  602   H5''   DA  20          H5''       DA  20  -0.037  16.298   0.707
  603    H4'   DA  20           H4'       DA  20  -0.044  13.352  -0.023
  604    H3'   DA  20           H3'       DA  20  -1.933  14.633   1.567
  605    H2'   DA  20           H2'       DA  20  -0.491  15.582   3.066
  606   H2''   DA  20          H2''       DA  20  -0.674  14.049   3.925
  607    H1'   DA  20           H1'       DA  20   1.326  13.154   3.109
  608    H8    DA  20           H8        DA  20   1.648  16.921   2.209
  609    H61   DA  20           H61       DA  20   5.182  17.387   7.288
  610    H62   DA  20           H62       DA  20   4.425  18.297   5.982
  611    H2    DA  20           H2        DA  20   3.879  13.258   7.006
  612    H5'   DT  21           H5'       DT  21  -0.476  11.193   3.915
  613   H5''   DT  21          H5''       DT  21  -1.829  10.067   4.002
  614    H4'   DT  21           H4'       DT  21  -0.740   9.789   6.034
  615    H3'   DT  21           H3'       DT  21  -3.334  10.737   6.118
  616    H2'   DT  21           H2'       DT  21  -2.867  12.947   6.626
  617   H2''   DT  21          H2''       DT  21  -2.898  12.320   8.293
  618    H1'   DT  21           H1'       DT  21  -0.614  12.025   8.413
  619    H3    DT  21           H3        DT  21   1.908  15.745   8.763
  620    H71   DT  21           H71       DT  21  -1.383  17.922   6.005
  621    H72   DT  21           H72       DT  21  -0.246  17.411   4.757
  622    H73   DT  21           H73       DT  21  -1.841  16.624   4.883
  623    H6    DT  21           H6        DT  21  -1.718  14.515   5.802
  624    H5'   DG  22           H5'       DG  22  -1.300   9.898  10.204
  625   H5''   DG  22          H5''       DG  22  -2.407   9.079  11.320
  626    H4'   DG  22           H4'       DG  22  -1.230  10.689  12.581
  627    H3'   DG  22           H3'       DG  22  -4.078  11.016  12.291
  628    H2'   DG  22           H2'       DG  22  -3.854  13.066  11.225
  629   H2''   DG  22          H2''       DG  22  -3.739  13.677  12.898
  630    H1'   DG  22           H1'       DG  22  -1.340  13.471  12.892
  631    H8    DG  22           H8        DG  22  -2.954  14.309   9.513
  632    H1    DG  22           H1        DG  22   1.124  18.710  11.892
  633    H21   DG  22           H21       DG  22   1.355  16.451  14.476
  634    H22   DG  22           H22       DG  22   1.792  18.046  13.852
  635    H5'   DC  23           H5'       DC  23  -1.435  12.646  15.877
  636   H5''   DC  23          H5''       DC  23  -2.297  12.151  17.336
  637    H4'   DC  23           H4'       DC  23  -0.935  13.989  17.910
  638    H3'   DC  23           H3'       DC  23  -3.695  14.072  18.323
  639    H2'   DC  23           H2'       DC  23  -4.232  15.611  16.696
  640   H2''   DC  23          H2''       DC  23  -3.789  16.804  17.898
  641    H1'   DC  23           H1'       DC  23  -1.631  17.102  17.090
  642    H41   DC  23           H41       DC  23  -3.748  18.073  10.896
  643    H42   DC  23           H42       DC  23  -2.721  19.427  11.383
  644    H5    DC  23           H5        DC  23  -4.230  16.225  12.413
  645    H6    DC  23           H6        DC  23  -3.706  15.324  14.668
  646    H5'   DG  24           H5'       DG  24  -1.851  17.854  20.158
  647   H5''   DG  24          H5''       DG  24  -2.616  18.325  21.677
  648    H4'   DG  24           H4'       DG  24  -2.562  20.259  20.307
  649    H3'   DG  24           H3'       DG  24  -5.328  19.042  20.363
  650   HO3'   DG  24          H3T        DG  24  -4.651  20.223  22.245
  651    H2'   DG  24           H2'       DG  24  -6.011  20.270  18.623
  652   H2''   DG  24          H2''       DG  24  -5.234  21.753  19.234
  653    H1'   DG  24           H1'       DG  24  -3.294  21.398  18.082
  654    H8    DG  24           H8        DG  24  -5.463  18.470  16.866
  655    H1    DG  24           H1        DG  24  -3.964  22.967  12.477
  656    H21   DG  24           H21       DG  24  -2.309  24.373  15.161
  657    H22   DG  24           H22       DG  24  -2.804  24.559  13.479
  Start of MODEL   10
    1    H    ALA  79           H1       ALA  79  -1.911   6.590   9.015
    2    HA   ALA  79           HA       ALA  79   0.978   6.056   9.407
    3    HB1  ALA  79           HB1      ALA  79  -0.391   4.009   9.351
    4    HB2  ALA  79           HB2      ALA  79  -1.236   4.590   7.901
    5    HB3  ALA  79           HB3      ALA  79   0.501   4.164   7.821
    6    H    ARG  80           H        ARG  80   2.284   6.184   7.559
    7    HA   ARG  80           HA       ARG  80   1.801   8.421   5.780
    8    HB2  ARG  80           HB2      ARG  80   4.023   6.360   5.933
    9    HB3  ARG  80           HB3      ARG  80   4.040   7.719   4.798
   10    HG2  ARG  80           HG2      ARG  80   3.626   8.141   7.774
   11    HG3  ARG  80           HG3      ARG  80   5.248   7.979   7.097
   12    HD2  ARG  80           HD2      ARG  80   5.052   9.978   5.837
   13    HD3  ARG  80           HD3      ARG  80   3.296   9.996   5.977
   14    HE   ARG  80           HE       ARG  80   5.270  10.746   8.086
   15   HH11  ARG  80          HH12      ARG  80   1.851  10.662   7.157
   16   HH12  ARG  80          HH11      ARG  80   1.445  11.696   8.496
   17   HH21  ARG  80          HH22      ARG  80   4.519  12.187   9.632
   18   HH22  ARG  80          HH21      ARG  80   2.789  12.432   9.821
   19    H    LYS  81           H        LYS  81  -0.314   7.357   5.116
   20    HA   LYS  81           HA       LYS  81  -0.594   5.288   3.218
   21    HB2  LYS  81           HB2      LYS  81  -2.194   7.816   3.844
   22    HB3  LYS  81           HB3      LYS  81  -2.757   6.563   2.746
   23    HG2  LYS  81           HG2      LYS  81  -3.152   5.020   4.425
   24    HG3  LYS  81           HG3      LYS  81  -1.966   5.716   5.536
   25    HD2  LYS  81           HD2      LYS  81  -3.362   7.592   6.056
   26    HD3  LYS  81           HD3      LYS  81  -4.557   7.142   4.811
   27    HE2  LYS  81           HE2      LYS  81  -5.215   5.174   5.989
   28    HE3  LYS  81           HE3      LYS  81  -3.832   5.252   7.086
   29    HZ1  LYS  81           HZ1      LYS  81  -5.921   6.065   8.122
   30    HZ2  LYS  81           HZ2      LYS  81  -4.754   7.215   8.117
   31    HZ3  LYS  81           HZ3      LYS  81  -6.002   7.297   7.049
   32    H    VAL  82           H        VAL  82  -0.329   5.170   1.253
   33    HA   VAL  82           HA       VAL  82   0.912   7.154  -0.487
   34    HB   VAL  82           HB       VAL  82  -0.357   4.451  -1.063
   35   HG11  VAL  82          HG11      VAL  82   0.988   4.580  -3.206
   36   HG12  VAL  82          HG12      VAL  82  -0.407   5.647  -3.132
   37   HG13  VAL  82          HG13      VAL  82   1.230   6.313  -2.887
   38   HG21  VAL  82          HG21      VAL  82   1.859   3.574  -1.165
   39   HG22  VAL  82          HG22      VAL  82   2.570   5.175  -0.925
   40   HG23  VAL  82          HG23      VAL  82   1.644   4.388   0.395
   41    H    LYS  83           H        LYS  83  -0.056   8.576  -1.803
   42    HA   LYS  83           HA       LYS  83  -2.934   8.247  -2.472
   43    HB2  LYS  83           HB2      LYS  83  -1.235  10.685  -2.060
   44    HB3  LYS  83           HB3      LYS  83  -2.378  10.695  -3.424
   45    HG2  LYS  83           HG2      LYS  83  -4.258  10.194  -2.030
   46    HG3  LYS  83           HG3      LYS  83  -3.226  10.028  -0.589
   47    HD2  LYS  83           HD2      LYS  83  -2.581  12.343  -0.678
   48    HD3  LYS  83           HD3      LYS  83  -3.361  12.571  -2.261
   49    HE2  LYS  83           HE2      LYS  83  -5.521  12.429  -1.418
   50    HE3  LYS  83           HE3      LYS  83  -4.995  11.690   0.121
   51    HZ1  LYS  83           HZ1      LYS  83  -4.061  13.737   0.805
   52    HZ2  LYS  83           HZ2      LYS  83  -4.293  14.448  -0.694
   53    HZ3  LYS  83           HZ3      LYS  83  -5.568  14.100   0.288
   54    H    GLN  84           H        GLN  84  -3.322   7.569  -4.437
   55    HA   GLN  84           HA       GLN  84  -1.165   7.584  -6.461
   56    HB2  GLN  84           HB2      GLN  84  -2.109   5.580  -6.945
   57    HB3  GLN  84           HB3      GLN  84  -3.597   5.927  -6.056
   58    HG2  GLN  84           HG2      GLN  84  -4.430   7.192  -7.967
   59    HG3  GLN  84           HG3      GLN  84  -2.922   6.874  -8.870
   60   HE21  GLN  84          HE22      GLN  84  -2.423   4.409  -9.202
   61   HE22  GLN  84          HE21      GLN  84  -3.827   3.387  -9.442
   62    H    TYR  85           H        TYR  85  -1.436   8.950  -8.172
   63    HA   TYR  85           HA       TYR  85  -3.823  10.758  -8.201
   64    HB2  TYR  85           HB2      TYR  85  -0.971  11.646  -8.792
   65    HB3  TYR  85           HB3      TYR  85  -2.416  12.642  -8.800
   66    HD1  TYR  85           HD2      TYR  85  -3.563  13.250  -6.706
   67    HD2  TYR  85           HD1      TYR  85   0.231  11.218  -6.719
   68    HE1  TYR  85           HE2      TYR  85  -3.141  14.069  -4.390
   69    HE2  TYR  85           HE1      TYR  85   0.677  12.021  -4.413
   70    HH   TYR  85           HH       TYR  85  -0.045  13.402  -2.699
   71    H    LYS  86           H        LYS  86  -4.637  11.112 -10.281
   72    HA   LYS  86           HA       LYS  86  -3.171   9.961 -12.622
   73    HB2  LYS  86           HB2      LYS  86  -4.801   8.316 -11.906
   74    HB3  LYS  86           HB3      LYS  86  -6.076   9.534 -11.803
   75    HG2  LYS  86           HG2      LYS  86  -6.141   9.814 -14.200
   76    HG3  LYS  86           HG3      LYS  86  -4.639   8.901 -14.420
   77    HD2  LYS  86           HD2      LYS  86  -5.784   6.854 -13.535
   78    HD3  LYS  86           HD3      LYS  86  -7.289   7.794 -13.403
   79    HE2  LYS  86           HE2      LYS  86  -7.177   8.268 -15.865
   80    HE3  LYS  86           HE3      LYS  86  -5.701   7.293 -15.973
   81    HZ1  LYS  86           HZ1      LYS  86  -8.378   6.259 -15.134
   82    HZ2  LYS  86           HZ2      LYS  86  -7.686   6.000 -16.587
   83    HZ3  LYS  86           HZ3      LYS  86  -7.013   5.356 -15.247
   84    H    ASN  87           H        ASN  87  -3.279  11.164 -14.445
   85    HA   ASN  87           HA       ASN  87  -4.486  13.868 -14.137
   86    HB2  ASN  87           HB2      ASN  87  -2.104  13.581 -14.321
   87    HB3  ASN  87           HB3      ASN  87  -2.268  12.843 -15.909
   88   HD21  ASN  87          HD21      ASN  87  -0.807  15.276 -15.163
   89   HD22  ASN  87          HD22      ASN  87  -1.623  16.596 -16.009
   90    HA   PRO  88           HA       PRO  88  -7.625  12.647 -17.236
   91    HB2  PRO  88           HB2      PRO  88  -8.192  15.591 -16.843
   92    HB3  PRO  88           HB3      PRO  88  -9.350  14.231 -16.973
   93    HG2  PRO  88           HG2      PRO  88  -8.743  15.274 -14.539
   94    HG3  PRO  88           HG3      PRO  88  -8.850  13.499 -14.745
   95    HD2  PRO  88           HD2      PRO  88  -6.386  15.241 -14.668
   96    HD3  PRO  88           HD3      PRO  88  -6.700  13.663 -13.885
   97    H    HIS  89           H        HIS  89  -5.253  15.279 -17.475
   98    HA   HIS  89           HA       HIS  89  -5.913  15.898 -20.286
   99    HB2  HIS  89           HB2      HIS  89  -3.735  17.028 -18.491
  100    HB3  HIS  89           HB3      HIS  89  -4.305  17.705 -20.007
  101    HD1  HIS  89           HD1      HIS  89  -6.939  18.679 -19.933
  102    HD2  HIS  89           HD2      HIS  89  -4.980  17.765 -16.305
  103    HE1  HIS  89           HE1      HIS  89  -8.273  19.862 -18.069
  104    HE2  HIS  89           HE2      HIS  89  -7.073  19.311 -15.866
  105    H    THR  90           H        THR  90  -3.532  13.954 -18.605
  106    HA   THR  90           HA       THR  90  -1.952  13.617 -21.145
  107    HB   THR  90           HB       THR  90   0.013  13.348 -19.784
  108    HG1  THR  90           HG1      THR  90  -0.118  13.547 -17.561
  109   HG21  THR  90          HG21      THR  90   0.260  15.542 -18.758
  110   HG22  THR  90          HG22      THR  90  -0.679  15.727 -20.249
  111   HG23  THR  90          HG23      THR  90  -1.507  15.735 -18.669
  112    H    GLY  91           H        GLY  91  -3.729  11.852 -18.708
  113    HA2  GLY  91           HA2      GLY  91  -4.191   9.603 -18.554
  114    HA3  GLY  91           HA3      GLY  91  -3.228   9.290 -20.004
  115    H    GLU  92           H        GLU  92  -1.530  11.043 -17.527
  116    HA   GLU  92           HA       GLU  92   0.282   8.848 -16.940
  117    HB2  GLU  92           HB2      GLU  92   0.090  11.744 -16.061
  118    HB3  GLU  92           HB3      GLU  92   1.369  10.627 -15.557
  119    HG2  GLU  92           HG2      GLU  92   2.218  10.427 -17.776
  120    HG3  GLU  92           HG3      GLU  92   0.910  11.401 -18.448
  121    H    VAL  93           H        VAL  93   0.481   8.015 -14.941
  122    HA   VAL  93           HA       VAL  93  -1.260   8.838 -12.678
  123    HB   VAL  93           HB       VAL  93  -0.434   6.033 -13.369
  124   HG11  VAL  93          HG11      VAL  93  -2.449   7.048 -11.287
  125   HG12  VAL  93          HG12      VAL  93  -2.236   5.347 -11.729
  126   HG13  VAL  93          HG13      VAL  93  -0.923   6.211 -10.946
  127   HG21  VAL  93          HG21      VAL  93  -2.845   5.640 -13.979
  128   HG22  VAL  93          HG22      VAL  93  -3.123   7.392 -13.796
  129   HG23  VAL  93          HG23      VAL  93  -2.041   6.781 -15.061
  130    H    ILE  94           H        ILE  94  -0.350   8.433 -10.661
  131    HA   ILE  94           HA       ILE  94   2.485   7.723 -10.316
  132    HB   ILE  94           HB       ILE  94   1.933   9.957  -8.581
  133   HG12  ILE  94          HG12      ILE  94   1.827  10.862 -11.482
  134   HG13  ILE  94          HG13      ILE  94   0.453  10.839 -10.362
  135   HG21  ILE  94          HG21      ILE  94   4.160   8.956  -9.242
  136   HG22  ILE  94          HG22      ILE  94   4.012   9.836 -10.791
  137   HG23  ILE  94          HG23      ILE  94   4.084  10.708  -9.229
  138   HD11  ILE  94          HD11      ILE  94   1.761  12.299  -8.793
  139   HD12  ILE  94          HD12      ILE  94   2.971  12.495 -10.077
  140   HD13  ILE  94          HD13      ILE  94   1.317  13.069 -10.342
  141    H    GLU  95           H        GLU  95   2.994   7.623  -8.009
  142    HA   GLU  95           HA       GLU  95   0.845   7.349  -6.019
  143    HB2  GLU  95           HB2      GLU  95   2.681   5.155  -6.991
  144    HB3  GLU  95           HB3      GLU  95   2.119   5.166  -5.297
  145    HG2  GLU  95           HG2      GLU  95  -0.190   5.094  -5.983
  146    HG3  GLU  95           HG3      GLU  95   0.263   5.212  -7.690
  147    H    THR  96           H        THR  96   1.529   8.580  -4.360
  148    HA   THR  96           HA       THR  96   4.332   8.372  -3.397
  149    HB   THR  96           HB       THR  96   5.006  10.459  -3.789
  150    HG1  THR  96           HG1      THR  96   3.768  12.277  -3.495
  151   HG21  THR  96          HG21      THR  96   2.636  10.690  -5.703
  152   HG22  THR  96          HG22      THR  96   4.109  11.688  -5.725
  153   HG23  THR  96          HG23      THR  96   4.211   9.979  -6.118
  154    H    LYS  97           H        LYS  97   4.563   8.897  -1.151
  155    HA   LYS  97           HA       LYS  97   2.000   8.966   0.385
  156    HB2  LYS  97           HB2      LYS  97   4.837   8.717   1.334
  157    HB3  LYS  97           HB3      LYS  97   3.402   8.406   2.304
  158    HG2  LYS  97           HG2      LYS  97   2.894   6.407   1.068
  159    HG3  LYS  97           HG3      LYS  97   4.098   6.773  -0.171
  160    HD2  LYS  97           HD2      LYS  97   5.855   6.641   1.736
  161    HD3  LYS  97           HD3      LYS  97   4.575   5.874   2.676
  162    HE2  LYS  97           HE2      LYS  97   5.852   4.113   1.713
  163    HE3  LYS  97           HE3      LYS  97   4.347   4.171   0.787
  164    HZ1  LYS  97           HZ1      LYS  97   6.931   5.437  -0.063
  165    HZ2  LYS  97           HZ2      LYS  97   6.359   4.004  -0.643
  166    HZ3  LYS  97           HZ3      LYS  97   5.579   5.415  -0.953
  167    H    GLY  98           H        GLY  98   3.476  11.287  -1.087
  168    HA2  GLY  98           HA2      GLY  98   2.920  13.633  -0.384
  169    HA3  GLY  98           HA3      GLY  98   3.769  13.264   1.126
  170    H    GLY  99           H        GLY  99   4.970  15.150   0.516
  171    HA2  GLY  99           HA2      GLY  99   6.996  16.021   0.178
  172    HA3  GLY  99           HA3      GLY  99   7.553  14.445  -0.362
  173    H    ASN 100           H        ASN 100   8.637  16.679  -1.268
  174    HA   ASN 100           HA       ASN 100   7.984  17.648  -3.851
  175    HB2  ASN 100           HB2      ASN 100   9.687  18.706  -2.570
  176    HB3  ASN 100           HB3      ASN 100  10.448  17.193  -2.171
  177   HD21  ASN 100          HD22      ASN 100  12.318  18.531  -2.626
  178   HD22  ASN 100          HD21      ASN 100  13.007  18.201  -4.197
  179    H    HIS 101           H        HIS 101   7.244  16.213  -5.355
  180    HA   HIS 101           HA       HIS 101   9.098  14.077  -6.277
  181    HB2  HIS 101           HB2      HIS 101   7.199  13.168  -4.880
  182    HB3  HIS 101           HB3      HIS 101   6.073  13.758  -6.093
  183    HD1  HIS 101           HD1      HIS 101   8.927  11.110  -5.663
  184    HD2  HIS 101           HD2      HIS 101   5.774  12.225  -8.267
  185    HE1  HIS 101           HE1      HIS 101   8.693   9.226  -7.370
  186    HE2  HIS 101           HE2      HIS 101   6.803   9.896  -8.975
  187    H    LYS 102           H        LYS 102   9.430  13.969  -8.445
  188    HA   LYS 102           HA       LYS 102   9.300  16.273  -9.964
  189    HB2  LYS 102           HB2      LYS 102  10.792  14.272 -10.174
  190    HB3  LYS 102           HB3      LYS 102   9.560  13.487 -11.161
  191    HG2  LYS 102           HG2      LYS 102  10.594  16.249 -11.810
  192    HG3  LYS 102           HG3      LYS 102  11.533  14.803 -12.193
  193    HD2  LYS 102           HD2      LYS 102   9.725  13.896 -13.585
  194    HD3  LYS 102           HD3      LYS 102   8.697  15.321 -13.220
  195    HE2  LYS 102           HE2      LYS 102  10.420  16.808 -13.993
  196    HE3  LYS 102           HE3      LYS 102  11.504  15.447 -14.321
  197    HZ1  LYS 102           HZ1      LYS 102  10.341  16.229 -16.385
  198    HZ2  LYS 102           HZ2      LYS 102   9.954  14.676 -16.047
  199    HZ3  LYS 102           HZ3      LYS 102   8.883  15.870 -15.709
  200    H    THR 103           H        THR 103   7.302  13.482 -11.096
  201    HA   THR 103           HA       THR 103   5.855  15.054 -12.943
  202    HB   THR 103           HB       THR 103   4.870  12.510 -11.617
  203    HG1  THR 103           HG1      THR 103   5.938  11.546 -13.410
  204   HG21  THR 103          HG21      THR 103   3.098  13.491 -12.889
  205   HG22  THR 103          HG22      THR 103   4.197  13.996 -14.186
  206   HG23  THR 103          HG23      THR 103   3.794  12.268 -13.957
  207    H    LEU 104           H        LEU 104   5.044  14.294  -9.582
  208    HA   LEU 104           HA       LEU 104   2.424  15.395  -9.497
  209    HB2  LEU 104           HB2      LEU 104   3.480  13.869  -7.815
  210    HB3  LEU 104           HB3      LEU 104   4.550  15.176  -7.317
  211    HG   LEU 104           HG       LEU 104   2.622  16.468  -6.485
  212   HD11  LEU 104          HD11      LEU 104   0.831  15.623  -7.969
  213   HD12  LEU 104          HD12      LEU 104   1.001  14.000  -7.277
  214   HD13  LEU 104          HD13      LEU 104   0.409  15.327  -6.276
  215   HD21  LEU 104          HD21      LEU 104   2.684  13.600  -5.460
  216   HD22  LEU 104          HD22      LEU 104   3.814  14.903  -4.986
  217   HD23  LEU 104          HD23      LEU 104   2.103  15.015  -4.575
  218    H    LYS 105           H        LYS 105   5.630  16.950  -9.099
  219    HA   LYS 105           HA       LYS 105   4.566  19.561  -8.427
  220    HB2  LYS 105           HB2      LYS 105   6.858  18.869  -7.826
  221    HB3  LYS 105           HB3      LYS 105   7.277  18.685  -9.517
  222    HG2  LYS 105           HG2      LYS 105   8.215  20.745  -8.697
  223    HG3  LYS 105           HG3      LYS 105   7.013  21.084  -9.922
  224    HD2  LYS 105           HD2      LYS 105   6.735  22.720  -8.235
  225    HD3  LYS 105           HD3      LYS 105   5.358  21.629  -8.045
  226    HE2  LYS 105           HE2      LYS 105   6.635  20.446  -6.198
  227    HE3  LYS 105           HE3      LYS 105   7.954  21.599  -6.424
  228    HZ1  LYS 105           HZ1      LYS 105   6.247  23.391  -5.879
  229    HZ2  LYS 105           HZ2      LYS 105   5.203  22.177  -5.421
  230    HZ3  LYS 105           HZ3      LYS 105   6.585  22.374  -4.629
  231    H    GLU 106           H        GLU 106   5.289  17.969 -11.546
  232    HA   GLU 106           HA       GLU 106   5.079  20.413 -13.053
  233    HB2  GLU 106           HB2      GLU 106   4.400  17.646 -14.079
  234    HB3  GLU 106           HB3      GLU 106   4.909  19.079 -15.012
  235    HG2  GLU 106           HG2      GLU 106   7.065  18.894 -13.512
  236    HG3  GLU 106           HG3      GLU 106   6.419  17.272 -13.181
  237    H    TRP 107           H        TRP 107   2.796  17.851 -12.253
  238    HA   TRP 107           HA       TRP 107   0.516  19.005 -13.554
  239    HB2  TRP 107           HB2      TRP 107   0.578  17.335 -11.031
  240    HB3  TRP 107           HB3      TRP 107  -0.849  17.674 -12.018
  241    HD1  TRP 107           HD1      TRP 107   1.826  16.843 -14.420
  242    HE1  TRP 107           HE1      TRP 107   1.650  14.370 -15.141
  243    HE3  TRP 107           HE3      TRP 107  -1.572  15.174 -10.955
  244    HZ2  TRP 107           HZ2      TRP 107   0.698  11.937 -13.971
  245    HZ3  TRP 107           HZ3      TRP 107  -2.229  12.783 -10.941
  246    HH2  TRP 107           HH2      TRP 107  -1.036  11.140 -12.394
  247    H    LYS 108           H        LYS 108   1.790  19.681 -10.281
  248    HA   LYS 108           HA       LYS 108  -0.312  21.527  -9.528
  249    HB2  LYS 108           HB2      LYS 108   2.604  21.334  -8.654
  250    HB3  LYS 108           HB3      LYS 108   1.446  22.492  -7.988
  251    HG2  LYS 108           HG2      LYS 108  -0.048  20.585  -7.356
  252    HG3  LYS 108           HG3      LYS 108   1.216  19.461  -7.866
  253    HD2  LYS 108           HD2      LYS 108   2.803  20.646  -6.273
  254    HD3  LYS 108           HD3      LYS 108   1.419  21.602  -5.701
  255    HE2  LYS 108           HE2      LYS 108   0.240  19.371  -5.190
  256    HE3  LYS 108           HE3      LYS 108   1.739  18.564  -5.620
  257    HZ1  LYS 108           HZ1      LYS 108   1.872  18.822  -3.341
  258    HZ2  LYS 108           HZ2      LYS 108   2.798  20.105  -3.866
  259    HZ3  LYS 108           HZ3      LYS 108   1.276  20.360  -3.317
  260    H    ALA 109           H        ALA 109   2.714  21.941 -11.416
  261    HA   ALA 109           HA       ALA 109   2.613  24.793 -11.559
  262    HB1  ALA 109           HB1      ALA 109   4.257  24.531 -13.324
  263    HB2  ALA 109           HB2      ALA 109   4.615  23.310 -12.069
  264    HB3  ALA 109           HB3      ALA 109   3.806  22.843 -13.585
  265    H    LYS 110           H        LYS 110   1.632  22.203 -13.775
  266    HA   LYS 110           HA       LYS 110   0.775  23.786 -15.807
  267    HB2  LYS 110           HB2      LYS 110   0.390  20.894 -15.091
  268    HB3  LYS 110           HB3      LYS 110  -0.428  21.549 -16.524
  269    HG2  LYS 110           HG2      LYS 110   1.768  22.270 -17.438
  270    HG3  LYS 110           HG3      LYS 110   2.574  21.493 -16.055
  271    HD2  LYS 110           HD2      LYS 110   1.393  19.351 -16.644
  272    HD3  LYS 110           HD3      LYS 110   0.742  20.129 -18.089
  273    HE2  LYS 110           HE2      LYS 110   3.674  19.648 -17.450
  274    HE3  LYS 110           HE3      LYS 110   2.658  18.635 -18.497
  275    HZ1  LYS 110           HZ1      LYS 110   3.368  21.486 -19.051
  276    HZ2  LYS 110           HZ2      LYS 110   3.974  20.188 -19.826
  277    HZ3  LYS 110           HZ3      LYS 110   2.396  20.562 -19.996
  278    H    TRP 111           H        TRP 111  -1.163  22.372 -13.205
  279    HA   TRP 111           HA       TRP 111  -3.569  23.928 -14.112
  280    HB2  TRP 111           HB2      TRP 111  -3.605  21.092 -13.028
  281    HB3  TRP 111           HB3      TRP 111  -4.990  22.053 -13.525
  282    HD1  TRP 111           HD1      TRP 111  -5.213  22.563 -16.201
  283    HE1  TRP 111           HE1      TRP 111  -4.377  21.286 -18.266
  284    HE3  TRP 111           HE3      TRP 111  -1.814  19.516 -13.923
  285    HZ2  TRP 111           HZ2      TRP 111  -2.381  19.279 -18.861
  286    HZ3  TRP 111           HZ3      TRP 111  -0.383  17.998 -15.266
  287    HH2  TRP 111           HH2      TRP 111  -0.670  17.837 -17.722
  288    H    GLY 112           H        GLY 112  -2.376  22.091 -11.208
  289    HA2  GLY 112           HA2      GLY 112  -1.980  24.003  -9.417
  290    HA3  GLY 112           HA3      GLY 112  -3.731  24.087  -9.434
  291    HA   PRO 113           HA       PRO 113  -2.034  20.653  -6.564
  292    HB2  PRO 113           HB2      PRO 113  -2.302  21.871  -4.079
  293    HB3  PRO 113           HB3      PRO 113  -0.811  21.832  -5.055
  294    HG2  PRO 113           HG2      PRO 113  -2.866  24.036  -4.885
  295    HG3  PRO 113           HG3      PRO 113  -1.074  24.167  -4.853
  296    HD2  PRO 113           HD2      PRO 113  -2.507  24.657  -7.103
  297    HD3  PRO 113           HD3      PRO 113  -0.915  23.836  -7.172
  298    H    GLU 114           H        GLU 114  -4.791  22.891  -6.279
  299    HA   GLU 114           HA       GLU 114  -6.561  21.282  -4.728
  300    HB2  GLU 114           HB2      GLU 114  -7.366  23.080  -7.024
  301    HB3  GLU 114           HB3      GLU 114  -8.267  22.644  -5.543
  302    HG2  GLU 114           HG2      GLU 114  -6.468  23.905  -4.247
  303    HG3  GLU 114           HG3      GLU 114  -5.831  24.423  -5.823
  304    H    ALA 115           H        ALA 115  -6.071  21.603  -8.181
  305    HA   ALA 115           HA       ALA 115  -7.965  19.749  -9.171
  306    HB1  ALA 115           HB1      ALA 115  -5.232  20.313 -10.414
  307    HB2  ALA 115           HB2      ALA 115  -6.753  19.934 -11.234
  308    HB3  ALA 115           HB3      ALA 115  -6.573  21.513 -10.423
  309    H    VAL 116           H        VAL 116  -4.496  19.438  -8.604
  310    HA   VAL 116           HA       VAL 116  -4.109  16.827  -9.243
  311    HB   VAL 116           HB       VAL 116  -2.693  18.743  -7.396
  312   HG11  VAL 116          HG11      VAL 116  -2.008  16.555  -6.531
  313   HG12  VAL 116          HG12      VAL 116  -1.587  16.031  -8.177
  314   HG13  VAL 116          HG13      VAL 116  -0.701  17.372  -7.387
  315   HG21  VAL 116          HG21      VAL 116  -1.148  18.922  -9.265
  316   HG22  VAL 116          HG22      VAL 116  -1.955  17.563 -10.097
  317   HG23  VAL 116          HG23      VAL 116  -2.795  19.108  -9.915
  318    H    GLU 117           H        GLU 117  -4.833  18.108  -5.954
  319    HA   GLU 117           HA       GLU 117  -4.926  15.551  -4.607
  320    HB2  GLU 117           HB2      GLU 117  -6.096  18.335  -4.124
  321    HB3  GLU 117           HB3      GLU 117  -6.485  17.008  -3.042
  322    HG2  GLU 117           HG2      GLU 117  -3.588  17.665  -3.619
  323    HG3  GLU 117           HG3      GLU 117  -4.526  18.634  -2.486
  324    H    SER 118           H        SER 118  -7.357  17.433  -6.425
  325    HA   SER 118           HA       SER 118  -9.659  15.944  -5.487
  326    HB2  SER 118           HB2      SER 118  -9.342  17.589  -8.029
  327    HB3  SER 118           HB3      SER 118 -10.860  16.947  -7.388
  328    HG   SER 118           HG       SER 118  -9.138  18.875  -6.216
  329    H    TRP 119           H        TRP 119  -7.387  15.416  -8.125
  330    HA   TRP 119           HA       TRP 119  -8.855  13.161  -9.261
  331    HB2  TRP 119           HB2      TRP 119  -5.927  13.825  -9.624
  332    HB3  TRP 119           HB3      TRP 119  -6.984  12.887 -10.678
  333    HD1  TRP 119           HD1      TRP 119  -9.335  15.184 -10.785
  334    HE1  TRP 119           HE1      TRP 119  -8.946  17.249 -12.262
  335    HE3  TRP 119           HE3      TRP 119  -4.243  14.883 -11.288
  336    HZ2  TRP 119           HZ2      TRP 119  -6.718  18.603 -13.489
  337    HZ3  TRP 119           HZ3      TRP 119  -3.016  16.566 -12.649
  338    HH2  TRP 119           HH2      TRP 119  -4.237  18.432 -13.735
  339    H    ALA 120           H        ALA 120  -7.078  13.308  -6.303
  340    HA   ALA 120           HA       ALA 120  -5.521  10.996  -6.649
  341    HB1  ALA 120           HB1      ALA 120  -6.359  12.111  -3.961
  342    HB2  ALA 120           HB2      ALA 120  -4.858  11.256  -4.404
  343    HB3  ALA 120           HB3      ALA 120  -5.152  12.909  -4.989
  344    H    THR 121           H        THR 121  -5.492   9.343  -5.206
  345    HA   THR 121           HA       THR 121  -7.975   7.777  -4.446
  346    HB   THR 121           HB       THR 121  -5.583   6.876  -6.066
  347    HG1  THR 121           HG1      THR 121  -7.195   6.466  -7.664
  348   HG21  THR 121          HG21      THR 121  -7.999   5.464  -4.888
  349   HG22  THR 121          HG22      THR 121  -7.034   4.728  -6.202
  350   HG23  THR 121          HG23      THR 121  -6.286   5.042  -4.634
  351    H    LEU 122           H        LEU 122  -7.720   6.664  -2.616
  352    HA   LEU 122           HA       LEU 122  -5.229   6.990  -1.026
  353    HB2  LEU 122           HB2      LEU 122  -7.244   7.618   0.092
  354    HB3  LEU 122           HB3      LEU 122  -8.090   6.168  -0.443
  355    HG   LEU 122           HG       LEU 122  -6.687   4.755   1.006
  356   HD11  LEU 122          HD11      LEU 122  -5.411   7.339   1.990
  357   HD12  LEU 122          HD12      LEU 122  -5.217   5.720   2.717
  358   HD13  LEU 122          HD13      LEU 122  -4.588   6.030   1.111
  359   HD21  LEU 122          HD21      LEU 122  -8.783   5.701   1.883
  360   HD22  LEU 122          HD22      LEU 122  -7.576   5.498   3.165
  361   HD23  LEU 122          HD23      LEU 122  -7.894   7.115   2.497
  362    H    LEU 123           H        LEU 123  -3.806   5.474  -0.942
  363    HA   LEU 123           HA       LEU 123  -4.487   2.595  -1.230
  364    HB2  LEU 123           HB2      LEU 123  -2.062   4.106  -2.300
  365    HB3  LEU 123           HB3      LEU 123  -2.313   2.366  -2.419
  366    HG   LEU 123           HG       LEU 123  -4.009   4.549  -3.728
  367   HD11  LEU 123          HD11      LEU 123  -1.793   4.394  -4.668
  368   HD12  LEU 123          HD12      LEU 123  -1.901   2.630  -4.819
  369   HD13  LEU 123          HD13      LEU 123  -2.941   3.665  -5.814
  370   HD21  LEU 123          HD21      LEU 123  -5.327   2.420  -3.342
  371   HD22  LEU 123          HD22      LEU 123  -5.006   2.709  -5.057
  372   HD23  LEU 123          HD23      LEU 123  -4.047   1.509  -4.160
  373    H    GLY 124           H        GLY 124  -3.518   1.287   0.112
  374    HA2  GLY 124           HA2      GLY 124  -2.383   1.973   2.612
  375    HA3  GLY 124           HA3      GLY 124  -2.198   0.400   1.845
  376    H    HIS 125           H        HIS 125  -0.250   1.607   3.494
  377    HA   HIS 125           HA       HIS 125   1.857   3.019   2.224
  378    HB2  HIS 125           HB2      HIS 125   1.607   2.879   4.591
  379    HB3  HIS 125           HB3      HIS 125   1.899   1.136   4.584
  380    HD1  HIS 125           HD1      HIS 125   4.519   0.404   3.954
  381    HD2  HIS 125           HD2      HIS 125   3.683   4.454   4.762
  382    HE1  HIS 125           HE1      HIS 125   6.783   1.523   4.496
  383    HE2  HIS 125           HE2      HIS 125   6.278   3.991   5.025
  384    H5'   DC   1           H5'       DC   1  -4.871  29.308   7.759
  385   H5''   DC   1          H5''       DC   1  -3.523  30.122   6.967
  386    H4'   DC   1           H4'       DC   1  -3.090  30.042   9.318
  387    H3'   DC   1           H3'       DC   1  -1.343  28.929   7.433
  388    H2'   DC   1           H2'       DC   1  -1.452  26.761   7.997
  389   H2''   DC   1          H2''       DC   1  -0.394  27.156   9.335
  390    H1'   DC   1           H1'       DC   1  -2.069  27.341  10.897
  391    H41   DC   1           H41       DC   1  -5.068  21.725   9.063
  392    H42   DC   1           H42       DC   1  -4.855  21.713  10.820
  393    H5    DC   1           H5        DC   1  -4.300  23.629   7.679
  394    H6    DC   1           H6        DC   1  -3.297  25.828   7.803
  395   HO5'   DC   1          H5T        DC   1  -4.224  28.229   5.790
  396    H5'   DG   2           H5'       DG   2   0.211  29.245  11.928
  397   H5''   DG   2          H5''       DG   2   1.798  30.007  11.905
  398    H4'   DG   2           H4'       DG   2   1.863  28.464  13.667
  399    H3'   DG   2           H3'       DG   2   3.670  28.130  11.535
  400    H2'   DG   2           H2'       DG   2   2.613  26.241  10.684
  401   H2''   DG   2          H2''       DG   2   3.703  25.416  11.818
  402    H1'   DG   2           H1'       DG   2   2.046  25.323  13.532
  403    H8    DG   2           H8        DG   2   0.713  25.418   9.943
  404    H1    DG   2           H1        DG   2  -1.186  20.338  13.425
  405    H21   DG   2           H21       DG   2   0.731  21.815  15.861
  406    H22   DG   2           H22       DG   2  -0.276  20.442  15.386
  407    H5'   DC   3           H5'       DC   3   4.152  25.638  15.495
  408   H5''   DC   3          H5''       DC   3   5.847  25.617  15.978
  409    H4'   DC   3           H4'       DC   3   4.801  23.574  16.676
  410    H3'   DC   3           H3'       DC   3   7.008  23.526  14.775
  411    H2'   DC   3           H2'       DC   3   6.182  21.991  13.346
  412   H2''   DC   3          H2''       DC   3   6.157  20.796  14.649
  413    H1'   DC   3           H1'       DC   3   3.960  21.077  15.136
  414    H41   DC   3           H41       DC   3   1.705  21.649   8.940
  415    H42   DC   3           H42       DC   3   1.083  20.164   9.677
  416    H5    DC   3           H5        DC   3   3.350  23.052  10.112
  417    H6    DC   3           H6        DC   3   4.486  23.356  12.300
  418    H5'   DA   4           H5'       DA   4   6.247  19.789  17.160
  419   H5''   DA   4          H5''       DA   4   7.690  19.110  17.911
  420    H4'   DA   4           H4'       DA   4   6.424  17.303  17.112
  421    H3'   DA   4           H3'       DA   4   9.020  17.770  15.957
  422    H2'   DA   4           H2'       DA   4   8.230  18.042  13.826
  423   H2''   DA   4          H2''       DA   4   8.221  16.281  13.773
  424    H1'   DA   4           H1'       DA   4   5.928  16.126  14.446
  425    H8    DA   4           H8        DA   4   6.883  19.425  12.776
  426    H61   DA   4           H61       DA   4   2.582  17.840   8.527
  427    H62   DA   4           H62       DA   4   3.661  19.128   9.031
  428    H2    DA   4           H2        DA   4   2.913  14.566  11.360
  429    H5'   DT   5           H5'       DT   5   7.178  13.590  15.346
  430   H5''   DT   5          H5''       DT   5   8.347  12.335  15.758
  431    H4'   DT   5           H4'       DT   5   7.084  11.560  13.911
  432    H3'   DT   5           H3'       DT   5   9.912  11.889  13.652
  433    H2'   DT   5           H2'       DT   5   9.787  13.477  12.003
  434   H2''   DT   5          H2''       DT   5   9.584  12.093  10.919
  435    H1'   DT   5           H1'       DT   5   7.212  12.166  11.031
  436    H3    DT   5           H3        DT   5   5.622  15.322   8.203
  437    H71   DT   5           H71       DT   5   8.284  18.592  10.615
  438    H72   DT   5           H72       DT   5   9.614  17.556  11.197
  439    H73   DT   5           H73       DT   5   9.471  17.960   9.473
  440    H6    DT   5           H6        DT   5   9.018  15.396  11.642
  441    H5'   DA   6           H5'       DA   6   7.227   9.171  10.995
  442   H5''   DA   6          H5''       DA   6   8.034   7.615  10.791
  443    H4'   DA   6           H4'       DA   6   6.572   7.936   8.976
  444    H3'   DA   6           H3'       DA   6   9.252   7.376   8.494
  445    H2'   DA   6           H2'       DA   6   9.890   9.509   7.952
  446   H2''   DA   6          H2''       DA   6   9.435   8.998   6.331
  447    H1'   DA   6           H1'       DA   6   7.323  10.007   6.424
  448    H8    DA   6           H8        DA   6   9.938  11.471   8.823
  449    H61   DA   6           H61       DA   6   8.452  16.854   5.969
  450    H62   DA   6           H62       DA   6   9.608  16.145   7.100
  451    H2    DA   6           H2        DA   6   5.859  13.772   4.419
  452    H5'   DT   7           H5'       DT   7   6.522   8.128   5.156
  453   H5''   DT   7          H5''       DT   7   6.499   6.925   3.870
  454    H4'   DT   7           H4'       DT   7   6.130   9.122   2.949
  455    H3'   DT   7           H3'       DT   7   8.377   7.547   2.066
  456    H2'   DT   7           H2'       DT   7   9.917   9.165   2.732
  457   H2''   DT   7          H2''       DT   7   9.492   9.919   1.174
  458    H1'   DT   7           H1'       DT   7   7.686  11.192   2.164
  459    H3    DT   7           H3        DT   7   9.966  14.903   3.298
  460    H71   DT   7           H71       DT   7  12.068  10.725   6.108
  461    H72   DT   7           H72       DT   7  13.147  12.003   5.498
  462    H73   DT   7           H73       DT   7  12.045  12.354   6.830
  463    H6    DT   7           H6        DT   7  10.321  10.283   4.616
  464    H5'   DA   8           H5'       DA   8   7.315  10.699  -1.410
  465   H5''   DA   8          H5''       DA   8   7.480   9.773  -2.901
  466    H4'   DA   8           H4'       DA   8   8.658  11.766  -3.270
  467    H3'   DA   8           H3'       DA   8  10.405   9.398  -2.913
  468    H2'   DA   8           H2'       DA   8  11.876  10.473  -1.597
  469   H2''   DA   8          H2''       DA   8  12.306  11.467  -3.012
  470    H1'   DA   8           H1'       DA   8  10.853  13.191  -2.456
  471    H8    DA   8           H8        DA   8  11.495  11.014   0.757
  472    H61   DA   8           H61       DA   8  13.521  16.566   2.938
  473    H62   DA   8           H62       DA   8  13.225  14.914   3.484
  474    H2    DA   8           H2        DA   8  12.298  17.117  -1.076
  475    H5'   DT   9           H5'       DT   9  10.791  12.903  -5.726
  476   H5''   DT   9          H5''       DT   9  11.268  12.311  -7.327
  477    H4'   DT   9           H4'       DT   9  11.834  14.616  -7.199
  478    H3'   DT   9           H3'       DT   9  13.792  12.676  -7.713
  479    H2'   DT   9           H2'       DT   9  14.958  12.866  -5.766
  480   H2''   DT   9          H2''       DT   9  15.729  14.251  -6.532
  481    H1'   DT   9           H1'       DT   9  14.320  15.826  -5.549
  482    H3    DT   9           H3        DT   9  15.436  16.352  -1.209
  483    H71   DT   9           H71       DT   9  15.923  11.543  -1.066
  484    H72   DT   9           H72       DT   9  14.268  11.728  -0.481
  485    H73   DT   9           H73       DT   9  14.563  11.030  -2.088
  486    H6    DT   9           H6        DT   9  14.165  12.508  -3.842
  487    H5'   DG  10           H5'       DG  10  14.711  17.246  -8.131
  488   H5''   DG  10          H5''       DG  10  15.519  17.544  -9.669
  489    H4'   DG  10           H4'       DG  10  16.298  19.169  -8.148
  490    H3'   DG  10           H3'       DG  10  18.113  17.440  -9.420
  491    H2'   DG  10           H2'       DG  10  18.610  16.213  -7.506
  492   H2''   DG  10          H2''       DG  10  19.834  17.473  -7.283
  493    H1'   DG  10           H1'       DG  10  18.428  18.764  -5.858
  494    H8    DG  10           H8        DG  10  17.713  15.002  -5.900
  495    H1    DG  10           H1        DG  10  19.164  17.445  -0.114
  496    H21   DG  10           H21       DG  10  19.558  20.346  -1.892
  497    H22   DG  10           H22       DG  10  19.716  19.508  -0.345
  498    H5'   DC  11           H5'       DC  11  19.621  21.328  -7.127
  499   H5''   DC  11          H5''       DC  11  20.688  22.166  -8.250
  500    H4'   DC  11           H4'       DC  11  21.310  22.774  -6.047
  501    H3'   DC  11           H3'       DC  11  23.169  21.691  -7.823
  502    H2'   DC  11           H2'       DC  11  23.430  19.631  -6.823
  503   H2''   DC  11          H2''       DC  11  24.577  20.467  -5.781
  504    H1'   DC  11           H1'       DC  11  23.060  20.821  -4.075
  505    H41   DC  11           H41       DC  11  21.064  14.528  -3.750
  506    H42   DC  11           H42       DC  11  21.449  15.096  -2.123
  507    H5    DC  11           H5        DC  11  21.351  15.935  -5.698
  508    H6    DC  11           H6        DC  11  21.902  18.254  -6.409
  509    H5'   DG  12           H5'       DG  12  25.270  23.002  -3.910
  510   H5''   DG  12          H5''       DG  12  26.880  23.681  -4.170
  511    H4'   DG  12           H4'       DG  12  27.021  22.034  -2.435
  512    H3'   DG  12           H3'       DG  12  28.243  21.167  -5.043
  513   HO3'   DG  12          H3T        DG  12  30.157  21.434  -3.754
  514    H2'   DG  12           H2'       DG  12  28.282  19.003  -4.452
  515   H2''   DG  12          H2''       DG  12  28.911  19.365  -2.827
  516    H1'   DG  12           H1'       DG  12  26.831  19.435  -1.871
  517    H8    DG  12           H8        DG  12  25.997  18.467  -5.493
  518    H1    DG  12           H1        DG  12  24.622  14.068  -0.983
  519    H21   DG  12           H21       DG  12  26.096  16.386   1.103
  520    H22   DG  12           H22       DG  12  25.445  14.756   0.943
  521    H5'   DC  13           H5'       DC  13  24.986   7.296   3.921
  522   H5''   DC  13          H5''       DC  13  24.410   7.376   5.579
  523    H4'   DC  13           H4'       DC  13  25.855   9.243   5.148
  524    H3'   DC  13           H3'       DC  13  23.268   9.519   6.126
  525    H2'   DC  13           H2'       DC  13  22.327  10.439   4.209
  526   H2''   DC  13          H2''       DC  13  22.910  11.961   4.917
  527    H1'   DC  13           H1'       DC  13  24.931  11.908   3.727
  528    H41   DC  13           H41       DC  13  21.986  11.527  -2.180
  529    H42   DC  13           H42       DC  13  23.232  12.777  -2.248
  530    H5    DC  13           H5        DC  13  21.538  10.243  -0.137
  531    H6    DC  13           H6        DC  13  22.300   9.891   2.147
  532   HO5'   DC  13          H5T        DC  13  22.713   6.800   4.064
  533    H5'   DG  14           H5'       DG  14  26.038  13.655   6.338
  534   H5''   DG  14          H5''       DG  14  25.829  14.048   8.039
  535    H4'   DG  14           H4'       DG  14  26.145  16.096   7.003
  536    H3'   DG  14           H3'       DG  14  23.742  15.689   8.336
  537    H2'   DG  14           H2'       DG  14  22.405  15.392   6.443
  538   H2''   DG  14          H2''       DG  14  22.264  17.131   6.532
  539    H1'   DG  14           H1'       DG  14  23.896  17.521   4.925
  540    H8    DG  14           H8        DG  14  22.354  14.033   4.795
  541    H1    DG  14           H1        DG  14  22.400  17.193  -0.817
  542    H21   DG  14           H21       DG  14  23.997  19.611   1.025
  543    H22   DG  14           H22       DG  14  23.319  19.131  -0.533
  544    H5'   DC  15           H5'       DC  15  24.262  19.800   6.409
  545   H5''   DC  15          H5''       DC  15  23.620  21.190   7.288
  546    H4'   DC  15           H4'       DC  15  23.069  21.323   4.930
  547    H3'   DC  15           H3'       DC  15  20.810  20.978   6.853
  548    H2'   DC  15           H2'       DC  15  19.432  20.097   5.315
  549   H2''   DC  15          H2''       DC  15  19.749  21.419   4.171
  550    H1'   DC  15           H1'       DC  15  21.419  20.346   3.085
  551    H41   DC  15           H41       DC  15  18.596  14.389   2.764
  552    H42   DC  15           H42       DC  15  18.566  15.161   1.172
  553    H5    DC  15           H5        DC  15  19.370  15.620   4.754
  554    H6    DC  15           H6        DC  15  20.432  17.744   5.468
  555    H5'   DA  16           H5'       DA  16  20.808  23.551   3.276
  556   H5''   DA  16          H5''       DA  16  20.270  25.209   3.535
  557    H4'   DA  16           H4'       DA  16  19.620  24.598   1.358
  558    H3'   DA  16           H3'       DA  16  17.652  25.326   3.262
  559    H2'   DA  16           H2'       DA  16  16.778  23.202   3.439
  560   H2''   DA  16          H2''       DA  16  15.755  23.736   2.104
  561    H1'   DA  16           H1'       DA  16  17.226  22.806   0.441
  562    H8    DA  16           H8        DA  16  17.444  21.159   3.878
  563    H61   DA  16           H61       DA  16  15.749  15.957   0.822
  564    H62   DA  16           H62       DA  16  16.314  16.548   2.374
  565    H2    DA  16           H2        DA  16  15.511  19.261  -1.957
  566    H5'   DT  17           H5'       DT  17  16.092  24.816  -1.030
  567   H5''   DT  17          H5''       DT  17  15.054  26.152  -1.532
  568    H4'   DT  17           H4'       DT  17  14.151  24.128  -2.407
  569    H3'   DT  17           H3'       DT  17  12.588  25.713  -0.577
  570    H2'   DT  17           H2'       DT  17  12.311  24.026   0.946
  571   H2''   DT  17          H2''       DT  17  11.049  23.434  -0.146
  572    H1'   DT  17           H1'       DT  17  12.558  22.019  -1.340
  573    H3    DT  17           H3        DT  17  12.967  18.191   1.034
  574    H71   DT  17           H71       DT  17  13.055  20.986   4.974
  575    H72   DT  17           H72       DT  17  14.782  20.791   4.646
  576    H73   DT  17           H73       DT  17  13.993  22.364   4.365
  577    H6    DT  17           H6        DT  17  13.566  22.825   2.174
  578    H5'   DA  18           H5'       DA  18  10.572  22.483  -2.900
  579   H5''   DA  18          H5''       DA  18   9.233  23.106  -3.859
  580    H4'   DA  18           H4'       DA  18   8.535  20.992  -3.222
  581    H3'   DA  18           H3'       DA  18   7.121  23.142  -1.828
  582    H2'   DA  18           H2'       DA  18   7.593  22.316   0.223
  583   H2''   DA  18          H2''       DA  18   6.289  21.166  -0.125
  584    H1'   DA  18           H1'       DA  18   7.782  19.522  -0.902
  585    H8    DA  18           H8        DA  18   9.178  21.901   1.772
  586    H61   DA  18           H61       DA  18  11.025  16.461   4.398
  587    H62   DA  18           H62       DA  18  10.963  18.192   4.738
  588    H2    DA  18           H2        DA  18   9.511  15.613   0.513
  589    H5'   DT  19           H5'       DT  19   5.847  18.867  -2.363
  590   H5''   DT  19          H5''       DT  19   4.310  18.845  -3.228
  591    H4'   DT  19           H4'       DT  19   4.027  17.045  -1.760
  592    H3'   DT  19           H3'       DT  19   2.482  19.367  -1.072
  593    H2'   DT  19           H2'       DT  19   3.803  19.916   0.728
  594   H2''   DT  19          H2''       DT  19   2.636  18.843   1.554
  595    H1'   DT  19           H1'       DT  19   4.008  16.883   1.132
  596    H3    DT  19           H3        DT  19   7.021  16.424   4.409
  597    H71   DT  19           H71       DT  19   7.875  21.140   4.265
  598    H72   DT  19           H72       DT  19   6.590  21.726   3.182
  599    H73   DT  19           H73       DT  19   6.223  21.247   4.861
  600    H6    DT  19           H6        DT  19   5.495  20.177   1.815
  601    H5'   DA  20           H5'       DA  20  -1.305  15.611  -0.185
  602   H5''   DA  20          H5''       DA  20   0.006  16.335   0.728
  603    H4'   DA  20           H4'       DA  20   0.025  13.391  -0.017
  604    H3'   DA  20           H3'       DA  20  -1.878  14.655   1.569
  605    H2'   DA  20           H2'       DA  20  -0.445  15.615   3.063
  606   H2''   DA  20          H2''       DA  20  -0.629  14.081   3.924
  607    H1'   DA  20           H1'       DA  20   1.376  13.184   3.116
  608    H8    DA  20           H8        DA  20   1.710  16.947   2.211
  609    H61   DA  20           H61       DA  20   5.259  17.414   7.274
  610    H62   DA  20           H62       DA  20   4.506  18.317   5.958
  611    H2    DA  20           H2        DA  20   3.875  13.302   7.055
  612    H5'   DT  21           H5'       DT  21  -0.413  11.226   3.957
  613   H5''   DT  21          H5''       DT  21  -1.764  10.094   4.036
  614    H4'   DT  21           H4'       DT  21  -0.712   9.843   6.092
  615    H3'   DT  21           H3'       DT  21  -3.305  10.794   6.111
  616    H2'   DT  21           H2'       DT  21  -2.851  12.998   6.635
  617   H2''   DT  21          H2''       DT  21  -2.903  12.370   8.300
  618    H1'   DT  21           H1'       DT  21  -0.629  12.086   8.455
  619    H3    DT  21           H3        DT  21   1.901  15.818   8.812
  620    H71   DT  21           H71       DT  21  -0.164  17.407   4.741
  621    H72   DT  21           H72       DT  21  -1.772  16.643   4.851
  622    H73   DT  21           H73       DT  21  -1.322  17.957   5.954
  623    H6    DT  21           H6        DT  21  -1.676  14.548   5.809
  624    H5'   DG  22           H5'       DG  22  -1.294   9.908  10.170
  625   H5''   DG  22          H5''       DG  22  -2.382   9.079  11.304
  626    H4'   DG  22           H4'       DG  22  -1.148  10.674  12.541
  627    H3'   DG  22           H3'       DG  22  -4.003  11.007  12.358
  628    H2'   DG  22           H2'       DG  22  -3.810  13.068  11.304
  629   H2''   DG  22          H2''       DG  22  -3.639  13.662  12.977
  630    H1'   DG  22           H1'       DG  22  -1.234  13.451  12.886
  631    H8    DG  22           H8        DG  22  -2.970  14.314   9.569
  632    H1    DG  22           H1        DG  22   1.166  18.716  11.845
  633    H21   DG  22           H21       DG  22   1.477  16.438  14.412
  634    H22   DG  22           H22       DG  22   1.921  18.027  13.774
  635    H5'   DC  23           H5'       DC  23  -1.226  12.590  15.858
  636   H5''   DC  23          H5''       DC  23  -2.035  12.081  17.340
  637    H4'   DC  23           H4'       DC  23  -0.647  13.909  17.888
  638    H3'   DC  23           H3'       DC  23  -3.390  13.993  18.396
  639    H2'   DC  23           H2'       DC  23  -3.982  15.561  16.824
  640   H2''   DC  23          H2''       DC  23  -3.477  16.738  18.019
  641    H1'   DC  23           H1'       DC  23  -1.360  17.037  17.121
  642    H41   DC  23           H41       DC  23  -3.761  18.066  11.032
  643    H42   DC  23           H42       DC  23  -2.711  19.413  11.485
  644    H5    DC  23           H5        DC  23  -4.169  16.202  12.555
  645    H6    DC  23           H6        DC  23  -3.540  15.280  14.779
  646    H5'   DG  24           H5'       DG  24  -1.408  17.727  20.270
  647   H5''   DG  24          H5''       DG  24  -2.144  18.185  21.808
  648    H4'   DG  24           H4'       DG  24  -2.040  20.125  20.439
  649    H3'   DG  24           H3'       DG  24  -4.836  19.014  20.658
  650   HO3'   DG  24          H3T        DG  24  -5.049  20.907  21.978
  651    H2'   DG  24           H2'       DG  24  -5.577  20.263  18.951
  652   H2''   DG  24          H2''       DG  24  -4.723  21.722  19.514
  653    H1'   DG  24           H1'       DG  24  -2.866  21.307  18.246
  654    H8    DG  24           H8        DG  24  -5.156  18.420  17.173
  655    H1    DG  24           H1        DG  24  -3.907  22.928  12.717
  656    H21   DG  24           H21       DG  24  -2.089  24.317  15.300
  657    H22   DG  24           H22       DG  24  -2.677  24.499  13.647
  Start of MODEL   11
    1    H    ALA  79           H1       ALA  79  -1.731   6.294   9.092
    2    HA   ALA  79           HA       ALA  79   1.166   5.741   9.415
    3    HB1  ALA  79           HB1      ALA  79  -0.218   3.698   9.338
    4    HB2  ALA  79           HB2      ALA  79  -1.085   4.322   7.921
    5    HB3  ALA  79           HB3      ALA  79   0.647   3.889   7.802
    6    H    ARG  80           H        ARG  80   2.419   5.917   7.531
    7    HA   ARG  80           HA       ARG  80   1.939   8.213   5.846
    8    HB2  ARG  80           HB2      ARG  80   4.079   6.058   5.834
    9    HB3  ARG  80           HB3      ARG  80   4.116   7.463   4.765
   10    HG2  ARG  80           HG2      ARG  80   3.824   7.802   7.761
   11    HG3  ARG  80           HG3      ARG  80   5.418   7.585   7.023
   12    HD2  ARG  80           HD2      ARG  80   5.324   9.634   5.889
   13    HD3  ARG  80           HD3      ARG  80   3.563   9.704   5.958
   14    HE   ARG  80           HE       ARG  80   5.478  10.372   8.142
   15   HH11  ARG  80          HH12      ARG  80   2.096  10.405   7.089
   16   HH12  ARG  80          HH11      ARG  80   1.674  11.466   8.394
   17   HH21  ARG  80          HH22      ARG  80   4.717  11.918   9.616
   18   HH22  ARG  80          HH21      ARG  80   2.990  12.173   9.756
   19    H    LYS  81           H        LYS  81  -0.253   7.158   5.263
   20    HA   LYS  81           HA       LYS  81  -0.693   5.201   3.312
   21    HB2  LYS  81           HB2      LYS  81  -2.158   7.755   4.102
   22    HB3  LYS  81           HB3      LYS  81  -2.809   6.626   2.925
   23    HG2  LYS  81           HG2      LYS  81  -3.287   4.996   4.466
   24    HG3  LYS  81           HG3      LYS  81  -2.010   5.492   5.604
   25    HD2  LYS  81           HD2      LYS  81  -3.259   7.415   6.322
   26    HD3  LYS  81           HD3      LYS  81  -4.510   7.159   5.090
   27    HE2  LYS  81           HE2      LYS  81  -5.265   5.121   6.130
   28    HE3  LYS  81           HE3      LYS  81  -3.854   5.049   7.189
   29    HZ1  LYS  81           HZ1      LYS  81  -4.637   6.975   8.381
   30    HZ2  LYS  81           HZ2      LYS  81  -5.897   7.204   7.359
   31    HZ3  LYS  81           HZ3      LYS  81  -5.867   5.891   8.337
   32    H    VAL  82           H        VAL  82  -0.513   5.103   1.336
   33    HA   VAL  82           HA       VAL  82   0.722   7.102  -0.403
   34    HB   VAL  82           HB       VAL  82  -0.585   4.419  -1.012
   35   HG11  VAL  82          HG11      VAL  82   0.737   4.540  -3.161
   36   HG12  VAL  82          HG12      VAL  82  -0.661   5.603  -3.064
   37   HG13  VAL  82          HG13      VAL  82   0.983   6.271  -2.845
   38   HG21  VAL  82          HG21      VAL  82   1.422   4.290   0.421
   39   HG22  VAL  82          HG22      VAL  82   1.658   3.540  -1.167
   40   HG23  VAL  82          HG23      VAL  82   2.354   5.140  -0.850
   41    H    LYS  83           H        LYS  83  -0.210   8.539  -1.717
   42    HA   LYS  83           HA       LYS  83  -3.094   8.282  -2.380
   43    HB2  LYS  83           HB2      LYS  83  -1.386  10.716  -1.950
   44    HB3  LYS  83           HB3      LYS  83  -2.533  10.737  -3.307
   45    HG2  LYS  83           HG2      LYS  83  -4.401  10.208  -1.874
   46    HG3  LYS  83           HG3      LYS  83  -3.339  10.121  -0.447
   47    HD2  LYS  83           HD2      LYS  83  -2.827  12.477  -0.574
   48    HD3  LYS  83           HD3      LYS  83  -3.476  12.597  -2.208
   49    HE2  LYS  83           HE2      LYS  83  -5.057  13.652  -0.799
   50    HE3  LYS  83           HE3      LYS  83  -5.765  12.147  -1.391
   51    HZ1  LYS  83           HZ1      LYS  83  -6.203  12.360   0.975
   52    HZ2  LYS  83           HZ2      LYS  83  -5.083  11.159   0.835
   53    HZ3  LYS  83           HZ3      LYS  83  -4.636  12.634   1.343
   54    H    GLN  84           H        GLN  84  -3.499   7.725  -4.402
   55    HA   GLN  84           HA       GLN  84  -1.316   7.675  -6.394
   56    HB2  GLN  84           HB2      GLN  84  -2.292   5.695  -6.875
   57    HB3  GLN  84           HB3      GLN  84  -3.791   6.087  -6.018
   58    HG2  GLN  84           HG2      GLN  84  -4.564   7.349  -7.952
   59    HG3  GLN  84           HG3      GLN  84  -3.055   6.979  -8.834
   60   HE21  GLN  84          HE21      GLN  84  -2.607   4.496  -9.116
   61   HE22  GLN  84          HE22      GLN  84  -4.032   3.505  -9.355
   62    H    TYR  85           H        TYR  85  -1.546   8.984  -8.146
   63    HA   TYR  85           HA       TYR  85  -3.845  10.899  -8.246
   64    HB2  TYR  85           HB2      TYR  85  -0.929  11.598  -8.799
   65    HB3  TYR  85           HB3      TYR  85  -2.306  12.680  -8.923
   66    HD1  TYR  85           HD2      TYR  85  -3.475  13.498  -6.929
   67    HD2  TYR  85           HD1      TYR  85   0.115  11.143  -6.636
   68    HE1  TYR  85           HE2      TYR  85  -3.119  14.359  -4.617
   69    HE2  TYR  85           HE1      TYR  85   0.488  11.987  -4.326
   70    HH   TYR  85           HH       TYR  85  -0.252  13.467  -2.678
   71    H    LYS  86           H        LYS  86  -4.634  11.207 -10.340
   72    HA   LYS  86           HA       LYS  86  -3.172   9.989 -12.647
   73    HB2  LYS  86           HB2      LYS  86  -4.805   8.360 -11.936
   74    HB3  LYS  86           HB3      LYS  86  -6.081   9.577 -11.824
   75    HG2  LYS  86           HG2      LYS  86  -6.144   9.873 -14.222
   76    HG3  LYS  86           HG3      LYS  86  -4.679   8.921 -14.450
   77    HD2  LYS  86           HD2      LYS  86  -5.876   6.906 -13.535
   78    HD3  LYS  86           HD3      LYS  86  -7.355   7.892 -13.415
   79    HE2  LYS  86           HE2      LYS  86  -7.214   8.332 -15.887
   80    HE3  LYS  86           HE3      LYS  86  -5.773   7.308 -15.965
   81    HZ1  LYS  86           HZ1      LYS  86  -8.482   6.369 -15.136
   82    HZ2  LYS  86           HZ2      LYS  86  -7.793   6.068 -16.582
   83    HZ3  LYS  86           HZ3      LYS  86  -7.153   5.419 -15.228
   84    H    ASN  87           H        ASN  87  -3.195  11.220 -14.447
   85    HA   ASN  87           HA       ASN  87  -4.432  13.915 -14.166
   86    HB2  ASN  87           HB2      ASN  87  -2.047  13.681 -14.319
   87    HB3  ASN  87           HB3      ASN  87  -2.170  12.912 -15.900
   88   HD21  ASN  87          HD22      ASN  87  -0.758  15.383 -15.173
   89   HD22  ASN  87          HD21      ASN  87  -1.563  16.673 -16.067
   90    HA   PRO  88           HA       PRO  88  -7.531  12.646 -17.270
   91    HB2  PRO  88           HB2      PRO  88  -8.106  15.597 -16.965
   92    HB3  PRO  88           HB3      PRO  88  -9.261  14.233 -17.064
   93    HG2  PRO  88           HG2      PRO  88  -8.676  15.364 -14.666
   94    HG3  PRO  88           HG3      PRO  88  -8.780  13.577 -14.816
   95    HD2  PRO  88           HD2      PRO  88  -6.308  15.317 -14.777
   96    HD3  PRO  88           HD3      PRO  88  -6.631  13.768 -13.945
   97    H    HIS  89           H        HIS  89  -5.191  15.293 -17.550
   98    HA   HIS  89           HA       HIS  89  -5.808  15.839 -20.373
   99    HB2  HIS  89           HB2      HIS  89  -3.616  16.970 -18.586
  100    HB3  HIS  89           HB3      HIS  89  -4.147  17.610 -20.133
  101    HD1  HIS  89           HD1      HIS  89  -6.740  18.652 -20.150
  102    HD2  HIS  89           HD2      HIS  89  -4.948  17.748 -16.431
  103    HE1  HIS  89           HE1      HIS  89  -8.140  19.864 -18.354
  104    HE2  HIS  89           HE2      HIS  89  -7.050  19.303 -16.097
  105    H    THR  90           H        THR  90  -3.554  13.767 -18.717
  106    HA   THR  90           HA       THR  90  -2.023  13.328 -21.268
  107    HB   THR  90           HB       THR  90  -0.062  12.919 -19.918
  108    HG1  THR  90           HG1      THR  90  -0.214  13.175 -17.649
  109   HG21  THR  90          HG21      THR  90   0.343  15.080 -18.876
  110   HG22  THR  90          HG22      THR  90  -0.597  15.348 -20.356
  111   HG23  THR  90          HG23      THR  90  -1.399  15.404 -18.761
  112    H    GLY  91           H        GLY  91  -3.765  11.751 -18.658
  113    HA2  GLY  91           HA2      GLY  91  -4.416   9.553 -18.428
  114    HA3  GLY  91           HA3      GLY  91  -3.541   9.110 -19.899
  115    H    GLU  92           H        GLU  92  -1.526  10.836 -17.645
  116    HA   GLU  92           HA       GLU  92  -0.039   8.437 -16.951
  117    HB2  GLU  92           HB2      GLU  92   0.386  11.394 -16.553
  118    HB3  GLU  92           HB3      GLU  92   1.328  10.217 -15.642
  119    HG2  GLU  92           HG2      GLU  92   1.146  10.000 -18.638
  120    HG3  GLU  92           HG3      GLU  92   2.278  11.123 -17.856
  121    H    VAL  93           H        VAL  93   0.407   7.919 -14.904
  122    HA   VAL  93           HA       VAL  93  -1.317   8.812 -12.649
  123    HB   VAL  93           HB       VAL  93  -0.554   5.982 -13.309
  124   HG11  VAL  93          HG11      VAL  93  -1.041   6.199 -10.882
  125   HG12  VAL  93          HG12      VAL  93  -2.552   7.058 -11.239
  126   HG13  VAL  93          HG13      VAL  93  -2.362   5.347 -11.660
  127   HG21  VAL  93          HG21      VAL  93  -2.139   6.703 -15.009
  128   HG22  VAL  93          HG22      VAL  93  -3.003   5.653 -13.888
  129   HG23  VAL  93          HG23      VAL  93  -3.191   7.421 -13.778
  130    H    ILE  94           H        ILE  94  -0.442   8.414 -10.632
  131    HA   ILE  94           HA       ILE  94   2.380   7.661 -10.245
  132    HB   ILE  94           HB       ILE  94   1.809   9.955  -8.572
  133   HG12  ILE  94          HG12      ILE  94   1.888  10.763 -11.502
  134   HG13  ILE  94          HG13      ILE  94   0.450  10.813 -10.473
  135   HG21  ILE  94          HG21      ILE  94   4.006  10.617  -9.118
  136   HG22  ILE  94          HG22      ILE  94   4.028   8.863  -9.088
  137   HG23  ILE  94          HG23      ILE  94   3.988   9.715 -10.661
  138   HD11  ILE  94          HD11      ILE  94   1.375  13.014 -10.480
  139   HD12  ILE  94          HD12      ILE  94   1.687  12.297  -8.877
  140   HD13  ILE  94          HD13      ILE  94   2.992  12.414 -10.075
  141    H    GLU  95           H        GLU  95   2.856   7.614  -7.939
  142    HA   GLU  95           HA       GLU  95   0.690   7.357  -5.965
  143    HB2  GLU  95           HB2      GLU  95   2.533   5.151  -6.907
  144    HB3  GLU  95           HB3      GLU  95   1.917   5.166  -5.232
  145    HG2  GLU  95           HG2      GLU  95  -0.364   5.085  -5.990
  146    HG3  GLU  95           HG3      GLU  95   0.129   5.203  -7.683
  147    H    THR  96           H        THR  96   1.392   8.545  -4.265
  148    HA   THR  96           HA       THR  96   4.220   8.338  -3.366
  149    HB   THR  96           HB       THR  96   4.840  10.462  -3.657
  150    HG1  THR  96           HG1      THR  96   3.485  12.245  -3.407
  151   HG21  THR  96          HG21      THR  96   3.953  11.690  -5.585
  152   HG22  THR  96          HG22      THR  96   4.082   9.981  -6.006
  153   HG23  THR  96          HG23      THR  96   2.493  10.676  -5.597
  154    H    LYS  97           H        LYS  97   4.514   8.879  -1.127
  155    HA   LYS  97           HA       LYS  97   1.999   8.846   0.496
  156    HB2  LYS  97           HB2      LYS  97   4.881   8.673   1.367
  157    HB3  LYS  97           HB3      LYS  97   3.479   8.304   2.359
  158    HG2  LYS  97           HG2      LYS  97   2.993   6.309   1.080
  159    HG3  LYS  97           HG3      LYS  97   4.200   6.717  -0.144
  160    HD2  LYS  97           HD2      LYS  97   5.948   6.616   1.758
  161    HD3  LYS  97           HD3      LYS  97   4.686   5.842   2.718
  162    HE2  LYS  97           HE2      LYS  97   6.029   4.115   1.775
  163    HE3  LYS  97           HE3      LYS  97   4.489   4.079   0.909
  164    HZ1  LYS  97           HZ1      LYS  97   6.478   3.927  -0.569
  165    HZ2  LYS  97           HZ2      LYS  97   5.585   5.250  -0.942
  166    HZ3  LYS  97           HZ3      LYS  97   6.972   5.422  -0.107
  167    H    GLY  98           H        GLY  98   3.446  11.213  -0.995
  168    HA2  GLY  98           HA2      GLY  98   2.831  13.533  -0.263
  169    HA3  GLY  98           HA3      GLY  98   3.700  13.172   1.235
  170    H    GLY  99           H        GLY  99   4.834  15.102   0.629
  171    HA2  GLY  99           HA2      GLY  99   6.836  16.038   0.283
  172    HA3  GLY  99           HA3      GLY  99   7.438  14.478  -0.235
  173    H    ASN 100           H        ASN 100   8.498  16.674  -1.169
  174    HA   ASN 100           HA       ASN 100   7.861  17.597  -3.774
  175    HB2  ASN 100           HB2      ASN 100   9.542  18.687  -2.465
  176    HB3  ASN 100           HB3      ASN 100  10.332  17.183  -2.087
  177   HD21  ASN 100          HD22      ASN 100  12.159  18.631  -2.567
  178   HD22  ASN 100          HD21      ASN 100  12.842  18.292  -4.142
  179    H    HIS 101           H        HIS 101   7.168  16.131  -5.255
  180    HA   HIS 101           HA       HIS 101   9.040  13.976  -6.099
  181    HB2  HIS 101           HB2      HIS 101   7.096  13.091  -4.747
  182    HB3  HIS 101           HB3      HIS 101   6.005  13.682  -5.982
  183    HD1  HIS 101           HD1      HIS 101   8.936  11.088  -5.605
  184    HD2  HIS 101           HD2      HIS 101   5.631  12.086  -8.075
  185    HE1  HIS 101           HE1      HIS 101   8.683   9.185  -7.297
  186    HE2  HIS 101           HE2      HIS 101   6.693   9.782  -8.802
  187    H    LYS 102           H        LYS 102   9.470  13.932  -8.243
  188    HA   LYS 102           HA       LYS 102   9.287  16.272  -9.679
  189    HB2  LYS 102           HB2      LYS 102  10.893  14.400  -9.934
  190    HB3  LYS 102           HB3      LYS 102   9.729  13.553 -10.976
  191    HG2  LYS 102           HG2      LYS 102   9.798  15.402 -12.587
  192    HG3  LYS 102           HG3      LYS 102  10.673  16.411 -11.422
  193    HD2  LYS 102           HD2      LYS 102  12.466  14.433 -11.507
  194    HD3  LYS 102           HD3      LYS 102  11.721  14.117 -13.089
  195    HE2  LYS 102           HE2      LYS 102  12.144  16.437 -13.775
  196    HE3  LYS 102           HE3      LYS 102  12.617  16.844 -12.114
  197    HZ1  LYS 102           HZ1      LYS 102  14.586  16.499 -13.533
  198    HZ2  LYS 102           HZ2      LYS 102  14.535  15.400 -12.317
  199    HZ3  LYS 102           HZ3      LYS 102  14.130  14.956 -13.852
  200    H    THR 103           H        THR 103   7.416  13.425 -10.956
  201    HA   THR 103           HA       THR 103   5.987  14.960 -12.839
  202    HB   THR 103           HB       THR 103   4.965  12.443 -11.490
  203    HG1  THR 103           HG1      THR 103   6.043  11.432 -13.242
  204   HG21  THR 103          HG21      THR 103   4.338  13.889 -14.082
  205   HG22  THR 103          HG22      THR 103   3.898  12.172 -13.835
  206   HG23  THR 103          HG23      THR 103   3.217  13.423 -12.788
  207    H    LEU 104           H        LEU 104   5.090  14.242  -9.484
  208    HA   LEU 104           HA       LEU 104   2.469  15.356  -9.514
  209    HB2  LEU 104           HB2      LEU 104   3.411  13.824  -7.782
  210    HB3  LEU 104           HB3      LEU 104   4.500  15.099  -7.249
  211    HG   LEU 104           HG       LEU 104   2.594  16.446  -6.473
  212   HD11  LEU 104          HD11      LEU 104   0.325  15.415  -6.372
  213   HD12  LEU 104          HD12      LEU 104   0.839  15.703  -8.045
  214   HD13  LEU 104          HD13      LEU 104   0.895  14.068  -7.363
  215   HD21  LEU 104          HD21      LEU 104   3.650  14.798  -4.953
  216   HD22  LEU 104          HD22      LEU 104   1.930  15.014  -4.605
  217   HD23  LEU 104          HD23      LEU 104   2.465  13.571  -5.475
  218    H    LYS 105           H        LYS 105   5.667  16.886  -9.010
  219    HA   LYS 105           HA       LYS 105   4.592  19.504  -8.381
  220    HB2  LYS 105           HB2      LYS 105   6.853  18.803  -7.673
  221    HB3  LYS 105           HB3      LYS 105   7.344  18.609  -9.346
  222    HG2  LYS 105           HG2      LYS 105   8.252  20.670  -8.462
  223    HG3  LYS 105           HG3      LYS 105   7.136  21.006  -9.771
  224    HD2  LYS 105           HD2      LYS 105   6.763  22.648  -8.107
  225    HD3  LYS 105           HD3      LYS 105   5.371  21.574  -8.017
  226    HE2  LYS 105           HE2      LYS 105   6.506  20.381  -6.064
  227    HE3  LYS 105           HE3      LYS 105   7.829  21.546  -6.189
  228    HZ1  LYS 105           HZ1      LYS 105   5.013  22.101  -5.390
  229    HZ2  LYS 105           HZ2      LYS 105   6.340  22.333  -4.520
  230    HZ3  LYS 105           HZ3      LYS 105   6.065  23.326  -5.795
  231    H    GLU 106           H        GLU 106   5.430  17.899 -11.475
  232    HA   GLU 106           HA       GLU 106   5.270  20.331 -13.004
  233    HB2  GLU 106           HB2      GLU 106   4.588  17.560 -14.024
  234    HB3  GLU 106           HB3      GLU 106   5.135  18.975 -14.958
  235    HG2  GLU 106           HG2      GLU 106   7.288  18.779 -13.521
  236    HG3  GLU 106           HG3      GLU 106   6.610  17.201 -13.059
  237    H    TRP 107           H        TRP 107   2.981  17.768 -12.214
  238    HA   TRP 107           HA       TRP 107   0.735  18.871 -13.603
  239    HB2  TRP 107           HB2      TRP 107   0.748  17.216 -11.064
  240    HB3  TRP 107           HB3      TRP 107  -0.660  17.545 -12.073
  241    HD1  TRP 107           HD1      TRP 107   2.117  16.764 -14.385
  242    HE1  TRP 107           HE1      TRP 107   2.013  14.324 -15.132
  243    HE3  TRP 107           HE3      TRP 107  -1.361  15.018 -11.045
  244    HZ2  TRP 107           HZ2      TRP 107   0.816  11.884 -14.244
  245    HZ3  TRP 107           HZ3      TRP 107  -2.044  12.634 -11.120
  246    HH2  TRP 107           HH2      TRP 107  -0.917  11.049 -12.663
  247    H    LYS 108           H        LYS 108   1.871  19.599 -10.295
  248    HA   LYS 108           HA       LYS 108  -0.269  21.457  -9.667
  249    HB2  LYS 108           HB2      LYS 108   2.595  21.248  -8.630
  250    HB3  LYS 108           HB3      LYS 108   1.404  22.406  -8.024
  251    HG2  LYS 108           HG2      LYS 108  -0.123  20.488  -7.477
  252    HG3  LYS 108           HG3      LYS 108   1.178  19.375  -7.910
  253    HD2  LYS 108           HD2      LYS 108   2.662  20.572  -6.240
  254    HD3  LYS 108           HD3      LYS 108   1.246  21.516  -5.735
  255    HE2  LYS 108           HE2      LYS 108   0.063  19.284  -5.268
  256    HE3  LYS 108           HE3      LYS 108   1.585  18.482  -5.644
  257    HZ1  LYS 108           HZ1      LYS 108   1.610  18.727  -3.345
  258    HZ2  LYS 108           HZ2      LYS 108   2.574  19.996  -3.843
  259    HZ3  LYS 108           HZ3      LYS 108   1.038  20.278  -3.354
  260    H    ALA 109           H        ALA 109   2.828  21.842 -11.435
  261    HA   ALA 109           HA       ALA 109   2.724  24.695 -11.554
  262    HB1  ALA 109           HB1      ALA 109   4.444  24.424 -13.273
  263    HB2  ALA 109           HB2      ALA 109   4.763  23.252 -11.965
  264    HB3  ALA 109           HB3      ALA 109   4.032  22.730 -13.505
  265    H    LYS 110           H        LYS 110   1.886  22.117 -13.841
  266    HA   LYS 110           HA       LYS 110   1.119  23.741 -15.899
  267    HB2  LYS 110           HB2      LYS 110   0.851  20.801 -15.312
  268    HB3  LYS 110           HB3      LYS 110   0.194  21.467 -16.821
  269    HG2  LYS 110           HG2      LYS 110   2.415  22.348 -17.430
  270    HG3  LYS 110           HG3      LYS 110   3.091  21.772 -15.904
  271    HD2  LYS 110           HD2      LYS 110   3.753  20.161 -17.499
  272    HD3  LYS 110           HD3      LYS 110   2.435  19.417 -16.606
  273    HE2  LYS 110           HE2      LYS 110   1.952  18.890 -18.855
  274    HE3  LYS 110           HE3      LYS 110   0.874  20.244 -18.490
  275    HZ1  LYS 110           HZ1      LYS 110   2.466  21.726 -19.639
  276    HZ2  LYS 110           HZ2      LYS 110   3.470  20.469 -19.949
  277    HZ3  LYS 110           HZ3      LYS 110   1.997  20.532 -20.640
  278    H    TRP 111           H        TRP 111  -0.909  22.184 -13.461
  279    HA   TRP 111           HA       TRP 111  -3.349  23.536 -14.591
  280    HB2  TRP 111           HB2      TRP 111  -3.201  20.726 -13.465
  281    HB3  TRP 111           HB3      TRP 111  -4.656  21.554 -14.000
  282    HD1  TRP 111           HD1      TRP 111  -4.860  22.044 -16.680
  283    HE1  TRP 111           HE1      TRP 111  -3.894  20.815 -18.717
  284    HE3  TRP 111           HE3      TRP 111  -1.256  19.330 -14.326
  285    HZ2  TRP 111           HZ2      TRP 111  -1.778  18.908 -19.259
  286    HZ3  TRP 111           HZ3      TRP 111   0.329  17.907 -15.640
  287    HH2  TRP 111           HH2      TRP 111   0.033  17.626 -18.077
  288    H    GLY 112           H        GLY 112  -2.072  22.018 -11.551
  289    HA2  GLY 112           HA2      GLY 112  -1.931  23.971  -9.849
  290    HA3  GLY 112           HA3      GLY 112  -3.676  24.011  -9.967
  291    HA   PRO 113           HA       PRO 113  -2.139  20.761  -6.774
  292    HB2  PRO 113           HB2      PRO 113  -2.502  22.187  -4.426
  293    HB3  PRO 113           HB3      PRO 113  -0.954  21.992  -5.289
  294    HG2  PRO 113           HG2      PRO 113  -2.881  24.308  -5.403
  295    HG3  PRO 113           HG3      PRO 113  -1.084  24.339  -5.299
  296    HD2  PRO 113           HD2      PRO 113  -2.417  24.731  -7.639
  297    HD3  PRO 113           HD3      PRO 113  -0.861  23.849  -7.588
  298    H    GLU 114           H        GLU 114  -4.836  23.134  -6.716
  299    HA   GLU 114           HA       GLU 114  -6.668  21.622  -5.142
  300    HB2  GLU 114           HB2      GLU 114  -7.396  23.322  -7.533
  301    HB3  GLU 114           HB3      GLU 114  -8.338  22.983  -6.054
  302    HG2  GLU 114           HG2      GLU 114  -6.538  24.269  -4.787
  303    HG3  GLU 114           HG3      GLU 114  -5.857  24.700  -6.368
  304    H    ALA 115           H        ALA 115  -6.090  21.750  -8.581
  305    HA   ALA 115           HA       ALA 115  -8.003  19.864  -9.498
  306    HB1  ALA 115           HB1      ALA 115  -5.263  20.355 -10.746
  307    HB2  ALA 115           HB2      ALA 115  -6.775  19.921 -11.550
  308    HB3  ALA 115           HB3      ALA 115  -6.605  21.546 -10.832
  309    H    VAL 116           H        VAL 116  -4.529  19.542  -8.910
  310    HA   VAL 116           HA       VAL 116  -4.218  16.892  -9.405
  311    HB   VAL 116           HB       VAL 116  -2.705  18.877  -7.720
  312   HG11  VAL 116          HG11      VAL 116  -1.699  16.083  -8.341
  313   HG12  VAL 116          HG12      VAL 116  -0.746  17.441  -7.672
  314   HG13  VAL 116          HG13      VAL 116  -2.053  16.732  -6.728
  315   HG21  VAL 116          HG21      VAL 116  -1.208  18.880  -9.630
  316   HG22  VAL 116          HG22      VAL 116  -2.078  17.502 -10.353
  317   HG23  VAL 116          HG23      VAL 116  -2.866  19.077 -10.245
  318    H    GLU 117           H        GLU 117  -4.864  18.359  -6.186
  319    HA   GLU 117           HA       GLU 117  -4.884  15.833  -4.761
  320    HB2  GLU 117           HB2      GLU 117  -6.096  18.565  -4.130
  321    HB3  GLU 117           HB3      GLU 117  -6.145  17.181  -3.034
  322    HG2  GLU 117           HG2      GLU 117  -3.675  17.109  -2.973
  323    HG3  GLU 117           HG3      GLU 117  -3.592  18.511  -4.042
  324    H    SER 118           H        SER 118  -7.387  17.676  -6.521
  325    HA   SER 118           HA       SER 118  -9.643  16.173  -5.508
  326    HB2  SER 118           HB2      SER 118  -9.832  18.416  -6.551
  327    HB3  SER 118           HB3      SER 118  -9.407  17.703  -8.123
  328    HG   SER 118           HG       SER 118 -11.710  17.910  -7.744
  329    H    TRP 119           H        TRP 119  -7.425  15.703  -8.234
  330    HA   TRP 119           HA       TRP 119  -8.814  13.447  -9.398
  331    HB2  TRP 119           HB2      TRP 119  -5.852  14.078  -9.552
  332    HB3  TRP 119           HB3      TRP 119  -6.816  13.090 -10.641
  333    HD1  TRP 119           HD1      TRP 119  -9.131  15.523 -10.892
  334    HE1  TRP 119           HE1      TRP 119  -8.609  17.440 -12.505
  335    HE3  TRP 119           HE3      TRP 119  -4.069  14.854 -11.337
  336    HZ2  TRP 119           HZ2      TRP 119  -6.280  18.588 -13.778
  337    HZ3  TRP 119           HZ3      TRP 119  -2.728  16.362 -12.795
  338    HH2  TRP 119           HH2      TRP 119  -3.821  18.233 -14.003
  339    H    ALA 120           H        ALA 120  -7.048  13.595  -6.398
  340    HA   ALA 120           HA       ALA 120  -5.605  11.207  -6.700
  341    HB1  ALA 120           HB1      ALA 120  -6.338  12.426  -4.032
  342    HB2  ALA 120           HB2      ALA 120  -4.877  11.507  -4.482
  343    HB3  ALA 120           HB3      ALA 120  -5.135  13.159  -5.106
  344    H    THR 121           H        THR 121  -5.621   9.604  -5.191
  345    HA   THR 121           HA       THR 121  -8.138   8.128  -4.386
  346    HB   THR 121           HB       THR 121  -5.812   7.123  -6.052
  347    HG1  THR 121           HG1      THR 121  -7.431   6.883  -7.683
  348   HG21  THR 121          HG21      THR 121  -7.419   5.113  -6.297
  349   HG22  THR 121          HG22      THR 121  -6.700   5.316  -4.697
  350   HG23  THR 121          HG23      THR 121  -8.368   5.872  -4.982
  351    H    LEU 122           H        LEU 122  -7.798   6.807  -2.613
  352    HA   LEU 122           HA       LEU 122  -5.163   7.151  -1.212
  353    HB2  LEU 122           HB2      LEU 122  -7.406   8.125  -0.345
  354    HB3  LEU 122           HB3      LEU 122  -7.788   6.476   0.130
  355    HG   LEU 122           HG       LEU 122  -5.340   8.089   1.003
  356   HD11  LEU 122          HD11      LEU 122  -7.497   8.919   1.922
  357   HD12  LEU 122          HD12      LEU 122  -7.842   7.297   2.561
  358   HD13  LEU 122          HD13      LEU 122  -6.461   8.233   3.186
  359   HD21  LEU 122          HD21      LEU 122  -4.662   5.843   1.199
  360   HD22  LEU 122          HD22      LEU 122  -5.185   6.281   2.816
  361   HD23  LEU 122          HD23      LEU 122  -6.260   5.305   1.795
  362    H    LEU 123           H        LEU 123  -3.947   5.483  -0.968
  363    HA   LEU 123           HA       LEU 123  -4.945   2.706  -1.400
  364    HB2  LEU 123           HB2      LEU 123  -2.326   4.034  -2.241
  365    HB3  LEU 123           HB3      LEU 123  -2.743   2.336  -2.480
  366    HG   LEU 123           HG       LEU 123  -4.121   4.751  -3.735
  367   HD11  LEU 123          HD11      LEU 123  -1.909   4.302  -4.615
  368   HD12  LEU 123          HD12      LEU 123  -2.274   2.582  -4.825
  369   HD13  LEU 123          HD13      LEU 123  -3.117   3.785  -5.818
  370   HD21  LEU 123          HD21      LEU 123  -5.768   2.909  -3.457
  371   HD22  LEU 123          HD22      LEU 123  -5.307   3.081  -5.153
  372   HD23  LEU 123          HD23      LEU 123  -4.624   1.756  -4.172
  373    H    GLY 124           H        GLY 124  -4.574   1.318   0.085
  374    HA2  GLY 124           HA2      GLY 124  -3.217   2.089   2.577
  375    HA3  GLY 124           HA3      GLY 124  -4.233   0.680   2.314
  376    H    HIS 125           H        HIS 125  -2.258   0.208  -0.148
  377    HA   HIS 125           HA       HIS 125   0.172  -0.771   1.204
  378    HB2  HIS 125           HB2      HIS 125  -1.346  -2.567   1.610
  379    HB3  HIS 125           HB3      HIS 125  -1.830  -2.632  -0.094
  380    HD1  HIS 125           HD1      HIS 125  -0.054  -3.785  -1.782
  381    HD2  HIS 125           HD2      HIS 125   1.034  -3.641   2.297
  382    HE1  HIS 125           HE1      HIS 125   1.973  -5.363  -1.514
  383    HE2  HIS 125           HE2      HIS 125   2.639  -5.254   0.975
  384    H5'   DC   1           H5'       DC   1  -4.792  29.037   7.794
  385   H5''   DC   1          H5''       DC   1  -3.412  29.828   7.045
  386    H4'   DC   1           H4'       DC   1  -3.069  29.764   9.411
  387    H3'   DC   1           H3'       DC   1  -1.256  28.656   7.591
  388    H2'   DC   1           H2'       DC   1  -1.368  26.488   8.161
  389   H2''   DC   1          H2''       DC   1  -0.358  26.897   9.536
  390    H1'   DC   1           H1'       DC   1  -2.090  27.074  11.034
  391    H41   DC   1           H41       DC   1  -4.936  21.403   9.110
  392    H42   DC   1           H42       DC   1  -4.795  21.402  10.872
  393    H5    DC   1           H5        DC   1  -4.157  23.319   7.752
  394    H6    DC   1           H6        DC   1  -3.193  25.536   7.904
  395   HO5'   DC   1          H5T        DC   1  -4.108  27.925   5.869
  396    H5'   DG   2           H5'       DG   2   0.153  28.973  12.134
  397   H5''   DG   2          H5''       DG   2   1.729  29.765  12.157
  398    H4'   DG   2           H4'       DG   2   1.783  28.229  13.913
  399    H3'   DG   2           H3'       DG   2   3.635  27.901  11.819
  400    H2'   DG   2           H2'       DG   2   2.619  26.000  10.949
  401   H2''   DG   2          H2''       DG   2   3.688  25.190  12.107
  402    H1'   DG   2           H1'       DG   2   2.000  25.085  13.789
  403    H8    DG   2           H8        DG   2   0.732  25.167  10.177
  404    H1    DG   2           H1        DG   2  -1.183  20.072  13.628
  405    H21   DG   2           H21       DG   2   0.641  21.586  16.113
  406    H22   DG   2           H22       DG   2  -0.341  20.202  15.617
  407    H5'   DC   3           H5'       DC   3   4.107  25.416  15.803
  408   H5''   DC   3          H5''       DC   3   5.802  25.389  16.294
  409    H4'   DC   3           H4'       DC   3   4.733  23.346  16.968
  410    H3'   DC   3           H3'       DC   3   6.971  23.315  15.095
  411    H2'   DC   3           H2'       DC   3   6.161  21.786  13.649
  412   H2''   DC   3          H2''       DC   3   6.129  20.585  14.947
  413    H1'   DC   3           H1'       DC   3   3.928  20.855  15.413
  414    H41   DC   3           H41       DC   3   1.790  21.381   9.173
  415    H42   DC   3           H42       DC   3   1.156  19.903   9.910
  416    H5    DC   3           H5        DC   3   3.398  22.805  10.366
  417    H6    DC   3           H6        DC   3   4.490  23.126  12.576
  418    H5'   DA   4           H5'       DA   4   6.189  19.558  17.444
  419   H5''   DA   4          H5''       DA   4   7.625  18.873  18.209
  420    H4'   DA   4           H4'       DA   4   6.373  17.070  17.377
  421    H3'   DA   4           H3'       DA   4   8.979  17.555  16.255
  422    H2'   DA   4           H2'       DA   4   8.188  17.896  14.133
  423   H2''   DA   4          H2''       DA   4   8.234  16.136  14.022
  424    H1'   DA   4           H1'       DA   4   5.932  15.911  14.688
  425    H8    DA   4           H8        DA   4   6.820  19.257  13.071
  426    H61   DA   4           H61       DA   4   2.652  17.588   8.722
  427    H62   DA   4           H62       DA   4   3.680  18.906   9.262
  428    H2    DA   4           H2        DA   4   3.017  14.302  11.538
  429    H5'   DT   5           H5'       DT   5   7.137  13.380  15.453
  430   H5''   DT   5          H5''       DT   5   8.314  12.123  15.844
  431    H4'   DT   5           H4'       DT   5   7.132  11.392  13.942
  432    H3'   DT   5           H3'       DT   5   9.954  11.832  13.741
  433    H2'   DT   5           H2'       DT   5   9.795  13.442  12.105
  434   H2''   DT   5          H2''       DT   5   9.634  12.069  11.002
  435    H1'   DT   5           H1'       DT   5   7.259  12.093  11.092
  436    H3    DT   5           H3        DT   5   5.664  15.257   8.297
  437    H71   DT   5           H71       DT   5   8.190  18.556  10.797
  438    H72   DT   5           H72       DT   5   9.496  17.534  11.454
  439    H73   DT   5           H73       DT   5   9.443  17.928   9.724
  440    H6    DT   5           H6        DT   5   8.954  15.357  11.842
  441    H5'   DA   6           H5'       DA   6   7.435   9.041  10.947
  442   H5''   DA   6          H5''       DA   6   8.338   7.542  10.736
  443    H4'   DA   6           H4'       DA   6   6.946   7.823   8.855
  444    H3'   DA   6           H3'       DA   6   9.710   7.520   8.523
  445    H2'   DA   6           H2'       DA   6  10.183   9.680   7.947
  446   H2''   DA   6          H2''       DA   6   9.771   9.146   6.328
  447    H1'   DA   6           H1'       DA   6   7.595   9.993   6.411
  448    H8    DA   6           H8        DA   6  10.071  11.601   8.868
  449    H61   DA   6           H61       DA   6   8.332  16.907   6.034
  450    H62   DA   6           H62       DA   6   9.497  16.239   7.173
  451    H2    DA   6           H2        DA   6   5.907  13.696   4.437
  452    H5'   DT   7           H5'       DT   7   6.885   7.831   5.119
  453   H5''   DT   7          H5''       DT   7   7.077   6.672   3.805
  454    H4'   DT   7           H4'       DT   7   6.282   8.831   2.993
  455    H3'   DT   7           H3'       DT   7   8.565   7.524   1.901
  456    H2'   DT   7           H2'       DT   7  10.038   9.204   2.605
  457   H2''   DT   7          H2''       DT   7   9.533   9.962   1.077
  458    H1'   DT   7           H1'       DT   7   7.707  11.130   2.134
  459    H3    DT   7           H3        DT   7   9.837  14.922   3.325
  460    H71   DT   7           H71       DT   7  13.166  12.143   5.423
  461    H72   DT   7           H72       DT   7  12.058  12.376   6.777
  462    H73   DT   7           H73       DT   7  12.174  10.780   5.994
  463    H6    DT   7           H6        DT   7  10.435  10.291   4.501
  464    H5'   DA   8           H5'       DA   8   7.375  10.775  -1.395
  465   H5''   DA   8          H5''       DA   8   7.484   9.893  -2.917
  466    H4'   DA   8           H4'       DA   8   8.724  11.835  -3.274
  467    H3'   DA   8           H3'       DA   8  10.429   9.439  -2.935
  468    H2'   DA   8           H2'       DA   8  11.892  10.466  -1.573
  469   H2''   DA   8          H2''       DA   8  12.378  11.452  -2.980
  470    H1'   DA   8           H1'       DA   8  10.941  13.200  -2.465
  471    H8    DA   8           H8        DA   8  11.590  11.038   0.764
  472    H61   DA   8           H61       DA   8  13.402  16.651   2.983
  473    H62   DA   8           H62       DA   8  13.164  14.992   3.523
  474    H2    DA   8           H2        DA   8  12.197  17.180  -1.028
  475    H5'   DT   9           H5'       DT   9  10.835  12.867  -5.977
  476   H5''   DT   9          H5''       DT   9  11.465  12.222  -7.502
  477    H4'   DT   9           H4'       DT   9  11.976  14.557  -7.389
  478    H3'   DT   9           H3'       DT   9  13.983  12.613  -7.679
  479    H2'   DT   9           H2'       DT   9  15.053  12.927  -5.716
  480   H2''   DT   9          H2''       DT   9  15.802  14.323  -6.481
  481    H1'   DT   9           H1'       DT   9  14.287  15.862  -5.624
  482    H3    DT   9           H3        DT   9  15.322  16.511  -1.270
  483    H71   DT   9           H71       DT   9  15.964  11.733  -1.048
  484    H72   DT   9           H72       DT   9  14.312  11.874  -0.458
  485    H73   DT   9           H73       DT   9  14.620  11.153  -2.053
  486    H6    DT   9           H6        DT   9  14.164  12.587  -3.835
  487    H5'   DG  10           H5'       DG  10  14.735  17.149  -8.192
  488   H5''   DG  10          H5''       DG  10  15.551  17.423  -9.730
  489    H4'   DG  10           H4'       DG  10  16.165  19.191  -8.301
  490    H3'   DG  10           H3'       DG  10  18.118  17.568  -9.458
  491    H2'   DG  10           H2'       DG  10  18.645  16.412  -7.507
  492   H2''   DG  10          H2''       DG  10  19.793  17.736  -7.300
  493    H1'   DG  10           H1'       DG  10  18.322  18.981  -5.908
  494    H8    DG  10           H8        DG  10  17.732  15.204  -5.943
  495    H1    DG  10           H1        DG  10  19.042  17.690  -0.145
  496    H21   DG  10           H21       DG  10  19.357  20.607  -1.924
  497    H22   DG  10           H22       DG  10  19.522  19.775  -0.375
  498    H5'   DC  11           H5'       DC  11  19.394  21.536  -7.158
  499   H5''   DC  11          H5''       DC  11  20.435  22.415  -8.280
  500    H4'   DC  11           H4'       DC  11  21.015  23.059  -6.066
  501    H3'   DC  11           H3'       DC  11  22.927  22.049  -7.828
  502    H2'   DC  11           H2'       DC  11  23.268  20.009  -6.817
  503   H2''   DC  11          H2''       DC  11  24.372  20.896  -5.769
  504    H1'   DC  11           H1'       DC  11  22.826  21.185  -4.072
  505    H41   DC  11           H41       DC  11  21.075  14.818  -3.738
  506    H42   DC  11           H42       DC  11  21.421  15.415  -2.110
  507    H5    DC  11           H5        DC  11  21.328  16.231  -5.688
  508    H6    DC  11           H6        DC  11  21.807  18.561  -6.408
  509    H5'   DG  12           H5'       DG  12  24.939  23.455  -3.897
  510   H5''   DG  12          H5''       DG  12  26.524  24.197  -4.148
  511    H4'   DG  12           H4'       DG  12  26.717  22.568  -2.410
  512    H3'   DG  12           H3'       DG  12  27.989  21.727  -5.007
  513   HO3'   DG  12          H3T        DG  12  29.879  22.091  -3.722
  514    H2'   DG  12           H2'       DG  12  28.117  19.571  -4.389
  515   H2''   DG  12          H2''       DG  12  28.704  19.974  -2.755
  516    H1'   DG  12           H1'       DG  12  26.615  19.952  -1.829
  517    H8    DG  12           H8        DG  12  25.854  18.953  -5.459
  518    H1    DG  12           H1        DG  12  24.635  14.497  -0.957
  519    H21   DG  12           H21       DG  12  25.970  16.891   1.140
  520    H22   DG  12           H22       DG  12  25.398  15.229   0.975
  521    H5'   DC  13           H5'       DC  13  25.226   7.756   3.957
  522   H5''   DC  13          H5''       DC  13  24.655   7.812   5.618
  523    H4'   DC  13           H4'       DC  13  25.996   9.753   5.182
  524    H3'   DC  13           H3'       DC  13  23.392   9.897   6.148
  525    H2'   DC  13           H2'       DC  13  22.413  10.779   4.230
  526   H2''   DC  13          H2''       DC  13  22.931  12.325   4.938
  527    H1'   DC  13           H1'       DC  13  24.959  12.353   3.763
  528    H41   DC  13           H41       DC  13  22.091  11.860  -2.175
  529    H42   DC  13           H42       DC  13  23.287  13.160  -2.231
  530    H5    DC  13           H5        DC  13  21.667  10.573  -0.139
  531    H6    DC  13           H6        DC  13  22.412  10.251   2.158
  532   HO5'   DC  13          H5T        DC  13  22.985   7.145   4.107
  533    H5'   DG  14           H5'       DG  14  25.989  14.145   6.352
  534   H5''   DG  14          H5''       DG  14  25.758  14.530   8.056
  535    H4'   DG  14           H4'       DG  14  26.012  16.583   7.021
  536    H3'   DG  14           H3'       DG  14  23.627  16.098   8.350
  537    H2'   DG  14           H2'       DG  14  22.306  15.744   6.460
  538   H2''   DG  14          H2''       DG  14  22.097  17.479   6.541
  539    H1'   DG  14           H1'       DG  14  23.715  17.929   4.936
  540    H8    DG  14           H8        DG  14  22.299  14.388   4.813
  541    H1    DG  14           H1        DG  14  22.269  17.533  -0.808
  542    H21   DG  14           H21       DG  14  23.779  20.003   1.037
  543    H22   DG  14           H22       DG  14  23.116  19.503  -0.525
  544    H5'   DC  15           H5'       DC  15  24.013  20.220   6.425
  545   H5''   DC  15          H5''       DC  15  23.304  21.589   7.286
  546    H4'   DC  15           H4'       DC  15  22.784  21.678   4.921
  547    H3'   DC  15           H3'       DC  15  20.510  21.282   6.821
  548    H2'   DC  15           H2'       DC  15  19.171  20.374   5.273
  549   H2''   DC  15          H2''       DC  15  19.488  21.689   4.119
  550    H1'   DC  15           H1'       DC  15  21.191  20.640   3.063
  551    H41   DC  15           H41       DC  15  18.538  14.614   2.738
  552    H42   DC  15           H42       DC  15  18.487  15.388   1.144
  553    H5    DC  15           H5        DC  15  19.254  15.871   4.730
  554    H6    DC  15           H6        DC  15  20.241  18.027   5.454
  555    H5'   DA  16           H5'       DA  16  20.508  23.837   3.222
  556   H5''   DA  16          H5''       DA  16  19.930  25.483   3.466
  557    H4'   DA  16           H4'       DA  16  19.342  24.849   1.277
  558    H3'   DA  16           H3'       DA  16  17.333  25.579   3.128
  559    H2'   DA  16           H2'       DA  16  16.484  23.441   3.320
  560   H2''   DA  16          H2''       DA  16  15.476  23.947   1.962
  561    H1'   DA  16           H1'       DA  16  16.967  23.013   0.336
  562    H8    DA  16           H8        DA  16  17.183  21.420   3.797
  563    H61   DA  16           H61       DA  16  15.650  16.138   0.799
  564    H62   DA  16           H62       DA  16  16.184  16.763   2.353
  565    H2    DA  16           H2        DA  16  15.343  19.393  -2.022
  566    H5'   DT  17           H5'       DT  17  15.781  24.979  -1.146
  567   H5''   DT  17          H5''       DT  17  14.686  26.261  -1.664
  568    H4'   DT  17           H4'       DT  17  13.827  24.178  -2.430
  569    H3'   DT  17           H3'       DT  17  12.266  25.768  -0.584
  570    H2'   DT  17           H2'       DT  17  12.025  24.082   0.937
  571   H2''   DT  17          H2''       DT  17  10.789  23.437  -0.151
  572    H1'   DT  17           H1'       DT  17  12.355  22.078  -1.340
  573    H3    DT  17           H3        DT  17  12.832  18.271   1.060
  574    H71   DT  17           H71       DT  17  12.839  21.070   4.993
  575    H72   DT  17           H72       DT  17  14.574  20.944   4.665
  576    H73   DT  17           H73       DT  17  13.723  22.488   4.383
  577    H6    DT  17           H6        DT  17  13.319  22.923   2.181
  578    H5'   DA  18           H5'       DA  18  10.316  22.493  -2.857
  579   H5''   DA  18          H5''       DA  18   8.962  23.083  -3.824
  580    H4'   DA  18           H4'       DA  18   8.300  20.968  -3.168
  581    H3'   DA  18           H3'       DA  18   6.864  23.105  -1.776
  582    H2'   DA  18           H2'       DA  18   7.346  22.295   0.280
  583   H2''   DA  18          H2''       DA  18   6.060  21.118  -0.064
  584    H1'   DA  18           H1'       DA  18   7.583  19.497  -0.829
  585    H8    DA  18           H8        DA  18   8.934  21.917   1.828
  586    H61   DA  18           H61       DA  18  10.897  16.526   4.469
  587    H62   DA  18           H62       DA  18  10.783  18.256   4.812
  588    H2    DA  18           H2        DA  18   9.440  15.636   0.578
  589    H5'   DT  19           H5'       DT  19   5.616  18.819  -2.311
  590   H5''   DT  19          H5''       DT  19   4.058  18.761  -3.141
  591    H4'   DT  19           H4'       DT  19   3.842  16.976  -1.643
  592    H3'   DT  19           H3'       DT  19   2.268  19.282  -0.955
  593    H2'   DT  19           H2'       DT  19   3.599  19.854   0.828
  594   H2''   DT  19          H2''       DT  19   2.468  18.759   1.673
  595    H1'   DT  19           H1'       DT  19   3.881  16.829   1.229
  596    H3    DT  19           H3        DT  19   6.894  16.441   4.513
  597    H71   DT  19           H71       DT  19   6.022  21.254   4.936
  598    H72   DT  19           H72       DT  19   7.671  21.171   4.330
  599    H73   DT  19           H73       DT  19   6.372  21.725   3.248
  600    H6    DT  19           H6        DT  19   5.306  20.150   1.893
  601    H5'   DA  20           H5'       DA  20  -1.411  15.437   0.029
  602   H5''   DA  20          H5''       DA  20  -0.095  16.197   0.902
  603    H4'   DA  20           H4'       DA  20   0.002  13.256   0.146
  604    H3'   DA  20           H3'       DA  20  -1.932  14.399   1.776
  605    H2'   DA  20           H2'       DA  20  -0.495  15.429   3.243
  606   H2''   DA  20          H2''       DA  20  -0.616  13.885   4.101
  607    H1'   DA  20           H1'       DA  20   1.404  13.056   3.241
  608    H8    DA  20           H8        DA  20   1.606  16.847   2.413
  609    H61   DA  20           H61       DA  20   5.245  17.274   7.436
  610    H62   DA  20           H62       DA  20   4.470  18.199   6.149
  611    H2    DA  20           H2        DA  20   3.965  13.146   7.129
  612    H5'   DT  21           H5'       DT  21  -0.232  11.034   4.147
  613   H5''   DT  21          H5''       DT  21  -1.513   9.823   4.190
  614    H4'   DT  21           H4'       DT  21  -0.516   9.591   6.261
  615    H3'   DT  21           H3'       DT  21  -3.136  10.481   6.291
  616    H2'   DT  21           H2'       DT  21  -2.718  12.705   6.798
  617   H2''   DT  21          H2''       DT  21  -2.765  12.077   8.465
  618    H1'   DT  21           H1'       DT  21  -0.479  11.833   8.625
  619    H3    DT  21           H3        DT  21   2.019  15.578   8.972
  620    H71   DT  21           H71       DT  21  -1.311  17.715   6.233
  621    H72   DT  21           H72       DT  21  -0.181  17.211   4.977
  622    H73   DT  21           H73       DT  21  -1.764  16.411   5.116
  623    H6    DT  21           H6        DT  21  -1.601  14.307   6.019
  624    H5'   DG  22           H5'       DG  22  -1.101   9.606  10.370
  625   H5''   DG  22          H5''       DG  22  -2.205   8.771  11.484
  626    H4'   DG  22           H4'       DG  22  -0.988  10.344  12.760
  627    H3'   DG  22           H3'       DG  22  -3.837  10.662  12.553
  628    H2'   DG  22           H2'       DG  22  -3.647  12.720  11.485
  629   H2''   DG  22          H2''       DG  22  -3.524  13.323  13.157
  630    H1'   DG  22           H1'       DG  22  -1.117  13.154  13.124
  631    H8    DG  22           H8        DG  22  -2.793  13.981   9.772
  632    H1    DG  22           H1        DG  22   1.229  18.448  12.122
  633    H21   DG  22           H21       DG  22   1.535  16.189  14.692
  634    H22   DG  22           H22       DG  22   1.937  17.790  14.066
  635    H5'   DC  23           H5'       DC  23  -1.145  12.347  16.080
  636   H5''   DC  23          H5''       DC  23  -1.970  11.816  17.547
  637    H4'   DC  23           H4'       DC  23  -0.653  13.684  18.128
  638    H3'   DC  23           H3'       DC  23  -3.413  13.695  18.558
  639    H2'   DC  23           H2'       DC  23  -4.000  15.244  16.958
  640   H2''   DC  23          H2''       DC  23  -3.567  16.431  18.164
  641    H1'   DC  23           H1'       DC  23  -1.434  16.793  17.333
  642    H41   DC  23           H41       DC  23  -3.655  17.743  11.169
  643    H42   DC  23           H42       DC  23  -2.651  19.116  11.648
  644    H5    DC  23           H5        DC  23  -4.069  15.869  12.682
  645    H6    DC  23           H6        DC  23  -3.484  14.973  14.925
  646    H5'   DG  24           H5'       DG  24  -1.597  17.489  20.445
  647   H5''   DG  24          H5''       DG  24  -2.380  17.945  21.962
  648    H4'   DG  24           H4'       DG  24  -2.295  19.873  20.583
  649    H3'   DG  24           H3'       DG  24  -5.066  18.692  20.694
  650   HO3'   DG  24          H3T        DG  24  -5.383  20.581  22.001
  651    H2'   DG  24           H2'       DG  24  -5.775  19.937  18.969
  652   H2''   DG  24          H2''       DG  24  -4.958  21.411  19.564
  653    H1'   DG  24           H1'       DG  24  -3.056  21.023  18.359
  654    H8    DG  24           H8        DG  24  -5.258  18.097  17.206
  655    H1    DG  24           H1        DG  24  -3.924  22.618  12.787
  656    H21   DG  24           H21       DG  24  -2.228  24.043  15.433
  657    H22   DG  24           H22       DG  24  -2.760  24.216  13.760
  Start of MODEL   12
    1    H    ALA  79           H1       ALA  79  -1.832   6.716   9.017
    2    HA   ALA  79           HA       ALA  79   1.030   6.016   9.389
    3    HB1  ALA  79           HB1      ALA  79   0.414   4.124   7.855
    4    HB2  ALA  79           HB2      ALA  79  -0.457   4.055   9.400
    5    HB3  ALA  79           HB3      ALA  79  -1.293   4.657   7.949
    6    H    ARG  80           H        ARG  80   2.309   6.025   7.516
    7    HA   ARG  80           HA       ARG  80   1.956   8.263   5.718
    8    HB2  ARG  80           HB2      ARG  80   4.018   6.039   5.855
    9    HB3  ARG  80           HB3      ARG  80   4.125   7.388   4.724
   10    HG2  ARG  80           HG2      ARG  80   3.781   7.861   7.698
   11    HG3  ARG  80           HG3      ARG  80   5.379   7.587   6.999
   12    HD2  ARG  80           HD2      ARG  80   5.369   9.608   5.837
   13    HD3  ARG  80           HD3      ARG  80   3.614   9.685   5.770
   14    HE   ARG  80           HE       ARG  80   5.356  10.398   8.088
   15   HH11  ARG  80          HH12      ARG  80   2.119  10.556   6.674
   16   HH12  ARG  80          HH11      ARG  80   1.571  11.618   7.929
   17   HH21  ARG  80          HH22      ARG  80   4.503  11.987   9.462
   18   HH22  ARG  80          HH21      ARG  80   2.782  12.303   9.430
   19    H    LYS  81           H        LYS  81  -0.260   7.186   5.173
   20    HA   LYS  81           HA       LYS  81  -0.687   5.182   3.241
   21    HB2  LYS  81           HB2      LYS  81  -2.147   7.769   3.994
   22    HB3  LYS  81           HB3      LYS  81  -2.810   6.619   2.853
   23    HG2  LYS  81           HG2      LYS  81  -3.255   5.005   4.462
   24    HG3  LYS  81           HG3      LYS  81  -2.034   5.614   5.602
   25    HD2  LYS  81           HD2      LYS  81  -3.361   7.536   6.153
   26    HD3  LYS  81           HD3      LYS  81  -4.570   7.154   4.910
   27    HE2  LYS  81           HE2      LYS  81  -5.283   5.161   6.065
   28    HE3  LYS  81           HE3      LYS  81  -3.893   5.201   7.151
   29    HZ1  LYS  81           HZ1      LYS  81  -5.953   6.045   8.209
   30    HZ2  LYS  81           HZ2      LYS  81  -4.768   7.177   8.203
   31    HZ3  LYS  81           HZ3      LYS  81  -6.019   7.293   7.147
   32    H    VAL  82           H        VAL  82  -0.415   5.047   1.288
   33    HA   VAL  82           HA       VAL  82   0.746   7.070  -0.445
   34    HB   VAL  82           HB       VAL  82  -0.448   4.328  -1.043
   35   HG11  VAL  82          HG11      VAL  82   0.835   4.507  -3.193
   36   HG12  VAL  82          HG12      VAL  82  -0.605   5.507  -3.091
   37   HG13  VAL  82          HG13      VAL  82   1.007   6.254  -2.892
   38   HG21  VAL  82          HG21      VAL  82   1.894   3.640  -1.185
   39   HG22  VAL  82          HG22      VAL  82   2.427   5.300  -0.889
   40   HG23  VAL  82          HG23      VAL  82   1.581   4.384   0.394
   41    H    LYS  83           H        LYS  83  -0.183   8.497  -1.726
   42    HA   LYS  83           HA       LYS  83  -3.060   8.235  -2.427
   43    HB2  LYS  83           HB2      LYS  83  -1.307  10.632  -1.998
   44    HB3  LYS  83           HB3      LYS  83  -2.435  10.676  -3.371
   45    HG2  LYS  83           HG2      LYS  83  -4.338  10.249  -2.003
   46    HG3  LYS  83           HG3      LYS  83  -3.333  10.051  -0.548
   47    HD2  LYS  83           HD2      LYS  83  -2.598  12.351  -0.648
   48    HD3  LYS  83           HD3      LYS  83  -3.348  12.588  -2.241
   49    HE2  LYS  83           HE2      LYS  83  -5.518  12.567  -1.430
   50    HE3  LYS  83           HE3      LYS  83  -5.058  11.802   0.118
   51    HZ1  LYS  83           HZ1      LYS  83  -4.219  14.526  -0.693
   52    HZ2  LYS  83           HZ2      LYS  83  -5.510  14.232   0.282
   53    HZ3  LYS  83           HZ3      LYS  83  -4.028  13.804   0.812
   54    H    GLN  84           H        GLN  84  -3.446   7.630  -4.433
   55    HA   GLN  84           HA       GLN  84  -1.264   7.609  -6.424
   56    HB2  GLN  84           HB2      GLN  84  -2.231   5.622  -6.930
   57    HB3  GLN  84           HB3      GLN  84  -3.724   5.989  -6.052
   58    HG2  GLN  84           HG2      GLN  84  -4.536   7.265  -7.962
   59    HG3  GLN  84           HG3      GLN  84  -3.034   6.926  -8.869
   60   HE21  GLN  84          HE21      GLN  84  -2.559   4.454  -9.184
   61   HE22  GLN  84          HE22      GLN  84  -3.980   3.451  -9.434
   62    H    TYR  85           H        TYR  85  -1.502   8.955  -8.151
   63    HA   TYR  85           HA       TYR  85  -3.848  10.821  -8.213
   64    HB2  TYR  85           HB2      TYR  85  -0.971  11.619  -8.803
   65    HB3  TYR  85           HB3      TYR  85  -2.388  12.659  -8.841
   66    HD1  TYR  85           HD1      TYR  85  -3.534  13.331  -6.765
   67    HD2  TYR  85           HD2      TYR  85   0.189  11.167  -6.710
   68    HE1  TYR  85           HE1      TYR  85  -3.128  14.132  -4.432
   69    HE2  TYR  85           HE2      TYR  85   0.611  11.947  -4.388
   70    HH   TYR  85           HH       TYR  85  -0.087  13.343  -2.693
   71    H    LYS  86           H        LYS  86  -4.648  11.165 -10.299
   72    HA   LYS  86           HA       LYS  86  -3.186   9.988 -12.626
   73    HB2  LYS  86           HB2      LYS  86  -4.837   8.350 -11.938
   74    HB3  LYS  86           HB3      LYS  86  -6.103   9.581 -11.821
   75    HG2  LYS  86           HG2      LYS  86  -6.164   9.905 -14.209
   76    HG3  LYS  86           HG3      LYS  86  -4.695   8.958 -14.448
   77    HD2  LYS  86           HD2      LYS  86  -5.892   6.932 -13.565
   78    HD3  LYS  86           HD3      LYS  86  -7.375   7.911 -13.431
   79    HE2  LYS  86           HE2      LYS  86  -7.237   8.385 -15.888
   80    HE3  LYS  86           HE3      LYS  86  -5.791   7.363 -15.993
   81    HZ1  LYS  86           HZ1      LYS  86  -7.803   6.130 -16.619
   82    HZ2  LYS  86           HZ2      LYS  86  -7.161   5.461 -15.278
   83    HZ3  LYS  86           HZ3      LYS  86  -8.495   6.406 -15.171
   84    H    ASN  87           H        ASN  87  -3.207  11.249 -14.407
   85    HA   ASN  87           HA       ASN  87  -4.458  13.929 -14.083
   86    HB2  ASN  87           HB2      ASN  87  -2.067  13.693 -14.285
   87    HB3  ASN  87           HB3      ASN  87  -2.225  12.958 -15.872
   88   HD21  ASN  87          HD21      ASN  87  -0.819  15.428 -15.078
   89   HD22  ASN  87          HD22      ASN  87  -1.628  16.720 -15.960
   90    HA   PRO  88           HA       PRO  88  -7.596  12.687 -17.171
   91    HB2  PRO  88           HB2      PRO  88  -8.165  15.638 -16.820
   92    HB3  PRO  88           HB3      PRO  88  -9.319  14.273 -16.936
   93    HG2  PRO  88           HG2      PRO  88  -8.722  15.351 -14.521
   94    HG3  PRO  88           HG3      PRO  88  -8.817  13.571 -14.703
   95    HD2  PRO  88           HD2      PRO  88  -6.355  15.323 -14.650
   96    HD3  PRO  88           HD3      PRO  88  -6.663  13.757 -13.848
   97    H    HIS  89           H        HIS  89  -5.247  15.325 -17.454
   98    HA   HIS  89           HA       HIS  89  -5.907  15.913 -20.257
   99    HB2  HIS  89           HB2      HIS  89  -3.707  17.035 -18.477
  100    HB3  HIS  89           HB3      HIS  89  -4.254  17.695 -20.009
  101    HD1  HIS  89           HD1      HIS  89  -6.857  18.707 -19.999
  102    HD2  HIS  89           HD2      HIS  89  -5.044  17.750 -16.302
  103    HE1  HIS  89           HE1      HIS  89  -8.265  19.865 -18.178
  104    HE2  HIS  89           HE2      HIS  89  -7.160  19.283 -15.931
  105    H    THR  90           H        THR  90  -3.639  13.829 -18.650
  106    HA   THR  90           HA       THR  90  -2.116  13.428 -21.212
  107    HB   THR  90           HB       THR  90  -0.140  13.020 -19.904
  108    HG1  THR  90           HG1      THR  90  -0.253  13.248 -17.628
  109   HG21  THR  90          HG21      THR  90  -0.710  15.452 -20.285
  110   HG22  THR  90          HG22      THR  90  -1.477  15.468 -18.674
  111   HG23  THR  90          HG23      THR  90   0.270  15.160 -18.831
  112    H    GLY  91           H        GLY  91  -3.822  11.811 -18.600
  113    HA2  GLY  91           HA2      GLY  91  -4.461   9.609 -18.400
  114    HA3  GLY  91           HA3      GLY  91  -3.584   9.190 -19.874
  115    H    GLU  92           H        GLU  92  -1.572  10.902 -17.619
  116    HA   GLU  92           HA       GLU  92  -0.074   8.503 -16.962
  117    HB2  GLU  92           HB2      GLU  92   0.344  11.463 -16.523
  118    HB3  GLU  92           HB3      GLU  92   1.297  10.274 -15.638
  119    HG2  GLU  92           HG2      GLU  92   1.099  10.081 -18.629
  120    HG3  GLU  92           HG3      GLU  92   2.220  11.220 -17.853
  121    H    VAL  93           H        VAL  93   0.385   7.955 -14.930
  122    HA   VAL  93           HA       VAL  93  -1.320   8.816 -12.649
  123    HB   VAL  93           HB       VAL  93  -0.568   5.990 -13.356
  124   HG11  VAL  93          HG11      VAL  93  -1.049   6.176 -10.931
  125   HG12  VAL  93          HG12      VAL  93  -2.557   7.053 -11.271
  126   HG13  VAL  93          HG13      VAL  93  -2.383   5.347 -11.717
  127   HG21  VAL  93          HG21      VAL  93  -3.202   7.444 -13.801
  128   HG22  VAL  93          HG22      VAL  93  -2.149   6.739 -15.045
  129   HG23  VAL  93          HG23      VAL  93  -3.023   5.682 -13.930
  130    H    ILE  94           H        ILE  94  -0.439   8.374 -10.642
  131    HA   ILE  94           HA       ILE  94   2.382   7.610 -10.290
  132    HB   ILE  94           HB       ILE  94   1.828   9.870  -8.564
  133   HG12  ILE  94          HG12      ILE  94   1.860  10.732 -11.480
  134   HG13  ILE  94          HG13      ILE  94   0.443  10.780 -10.418
  135   HG21  ILE  94          HG21      ILE  94   4.052   8.787  -9.158
  136   HG22  ILE  94          HG22      ILE  94   3.979   9.714 -10.685
  137   HG23  ILE  94          HG23      ILE  94   4.017  10.539  -9.103
  138   HD11  ILE  94          HD11      ILE  94   3.008  12.349 -10.044
  139   HD12  ILE  94          HD12      ILE  94   1.397  12.969 -10.420
  140   HD13  ILE  94          HD13      ILE  94   1.714  12.229  -8.830
  141    H    GLU  95           H        GLU  95   2.888   7.532  -7.982
  142    HA   GLU  95           HA       GLU  95   0.749   7.316  -5.984
  143    HB2  GLU  95           HB2      GLU  95   2.575   5.084  -6.904
  144    HB3  GLU  95           HB3      GLU  95   2.052   5.159  -5.207
  145    HG2  GLU  95           HG2      GLU  95  -0.306   5.156  -5.902
  146    HG3  GLU  95           HG3      GLU  95   0.192   5.038  -7.599
  147    H    THR  96           H        THR  96   1.443   8.518  -4.306
  148    HA   THR  96           HA       THR  96   4.273   8.335  -3.399
  149    HB   THR  96           HB       THR  96   4.853  10.486  -3.644
  150    HG1  THR  96           HG1      THR  96   3.451  12.234  -3.455
  151   HG21  THR  96          HG21      THR  96   4.206   9.952  -6.010
  152   HG22  THR  96          HG22      THR  96   2.583  10.602  -5.681
  153   HG23  THR  96          HG23      THR  96   4.017  11.660  -5.633
  154    H    LYS  97           H        LYS  97   4.550   8.921  -1.159
  155    HA   LYS  97           HA       LYS  97   2.038   8.861   0.467
  156    HB2  LYS  97           HB2      LYS  97   4.923   8.728   1.318
  157    HB3  LYS  97           HB3      LYS  97   3.529   8.365   2.333
  158    HG2  LYS  97           HG2      LYS  97   3.033   6.362   1.064
  159    HG3  LYS  97           HG3      LYS  97   4.243   6.751  -0.158
  160    HD2  LYS  97           HD2      LYS  97   5.990   6.651   1.730
  161    HD3  LYS  97           HD3      LYS  97   4.729   5.905   2.706
  162    HE2  LYS  97           HE2      LYS  97   6.043   4.152   1.787
  163    HE3  LYS  97           HE3      LYS  97   4.509   4.124   0.915
  164    HZ1  LYS  97           HZ1      LYS  97   5.627   5.270  -0.943
  165    HZ2  LYS  97           HZ2      LYS  97   7.008   5.441  -0.108
  166    HZ3  LYS  97           HZ3      LYS  97   6.506   3.941  -0.557
  167    H    GLY  98           H        GLY  98   3.429  11.233  -1.058
  168    HA2  GLY  98           HA2      GLY  98   2.844  13.573  -0.362
  169    HA3  GLY  98           HA3      GLY  98   3.690  13.222   1.153
  170    H    GLY  99           H        GLY  99   4.873  15.114   0.544
  171    HA2  GLY  99           HA2      GLY  99   6.902  16.006   0.209
  172    HA3  GLY  99           HA3      GLY  99   7.466  14.432  -0.315
  173    H    ASN 100           H        ASN 100   8.548  16.653  -1.240
  174    HA   ASN 100           HA       ASN 100   7.909  17.569  -3.847
  175    HB2  ASN 100           HB2      ASN 100   9.581  18.671  -2.551
  176    HB3  ASN 100           HB3      ASN 100  10.376  17.173  -2.153
  177   HD21  ASN 100          HD22      ASN 100  12.202  18.628  -2.642
  178   HD22  ASN 100          HD21      ASN 100  12.889  18.283  -4.216
  179    H    HIS 101           H        HIS 101   7.187  16.070  -5.286
  180    HA   HIS 101           HA       HIS 101   9.068  13.931  -6.156
  181    HB2  HIS 101           HB2      HIS 101   7.153  13.028  -4.776
  182    HB3  HIS 101           HB3      HIS 101   6.038  13.633  -5.993
  183    HD1  HIS 101           HD1      HIS 101   8.959  11.031  -5.655
  184    HD2  HIS 101           HD2      HIS 101   5.673  12.081  -8.124
  185    HE1  HIS 101           HE1      HIS 101   8.711   9.156  -7.378
  186    HE2  HIS 101           HE2      HIS 101   6.738   9.793  -8.899
  187    H    LYS 102           H        LYS 102   9.547  13.988  -8.272
  188    HA   LYS 102           HA       LYS 102   9.308  16.288  -9.700
  189    HB2  LYS 102           HB2      LYS 102  10.911  14.425 -10.000
  190    HB3  LYS 102           HB3      LYS 102   9.739  13.586 -11.028
  191    HG2  LYS 102           HG2      LYS 102   9.783  15.449 -12.635
  192    HG3  LYS 102           HG3      LYS 102  10.663  16.453 -11.474
  193    HD2  LYS 102           HD2      LYS 102  12.459  14.468 -11.579
  194    HD3  LYS 102           HD3      LYS 102  11.709  14.166 -13.160
  195    HE2  LYS 102           HE2      LYS 102  12.134  16.487 -13.834
  196    HE3  LYS 102           HE3      LYS 102  12.602  16.894 -12.175
  197    HZ1  LYS 102           HZ1      LYS 102  14.523  15.449 -12.377
  198    HZ2  LYS 102           HZ2      LYS 102  14.129  15.026 -13.918
  199    HZ3  LYS 102           HZ3      LYS 102  14.575  16.562 -13.579
  200    H    THR 103           H        THR 103   7.426  13.466 -10.985
  201    HA   THR 103           HA       THR 103   5.962  15.017 -12.836
  202    HB   THR 103           HB       THR 103   4.951  12.494 -11.492
  203    HG1  THR 103           HG1      THR 103   6.522  12.757 -13.850
  204   HG21  THR 103          HG21      THR 103   3.195  13.422 -12.782
  205   HG22  THR 103          HG22      THR 103   4.297  13.962 -14.063
  206   HG23  THR 103          HG23      THR 103   3.916  12.219 -13.857
  207    H    LEU 104           H        LEU 104   5.109  14.256  -9.474
  208    HA   LEU 104           HA       LEU 104   2.479  15.361  -9.489
  209    HB2  LEU 104           HB2      LEU 104   3.431  13.783  -7.797
  210    HB3  LEU 104           HB3      LEU 104   4.510  15.060  -7.231
  211    HG   LEU 104           HG       LEU 104   2.600  16.371  -6.422
  212   HD11  LEU 104          HD11      LEU 104   0.346  15.308  -6.345
  213   HD12  LEU 104          HD12      LEU 104   0.847  15.654  -8.008
  214   HD13  LEU 104          HD13      LEU 104   0.932  13.996  -7.377
  215   HD21  LEU 104          HD21      LEU 104   2.510  13.472  -5.495
  216   HD22  LEU 104          HD22      LEU 104   3.673  14.704  -4.937
  217   HD23  LEU 104          HD23      LEU 104   1.955  14.888  -4.588
  218    H    LYS 105           H        LYS 105   5.670  16.872  -8.951
  219    HA   LYS 105           HA       LYS 105   4.597  19.509  -8.295
  220    HB2  LYS 105           HB2      LYS 105   7.348  18.492  -9.122
  221    HB3  LYS 105           HB3      LYS 105   7.032  20.198  -8.903
  222    HG2  LYS 105           HG2      LYS 105   6.715  18.045  -6.766
  223    HG3  LYS 105           HG3      LYS 105   8.076  19.148  -6.933
  224    HD2  LYS 105           HD2      LYS 105   5.226  19.850  -6.126
  225    HD3  LYS 105           HD3      LYS 105   6.680  19.938  -5.146
  226    HE2  LYS 105           HE2      LYS 105   7.582  21.712  -6.729
  227    HE3  LYS 105           HE3      LYS 105   6.035  21.666  -7.584
  228    HZ1  LYS 105           HZ1      LYS 105   6.446  22.476  -4.741
  229    HZ2  LYS 105           HZ2      LYS 105   5.932  23.443  -5.976
  230    HZ3  LYS 105           HZ3      LYS 105   4.977  22.235  -5.360
  231    H    GLU 106           H        GLU 106   5.390  17.912 -11.394
  232    HA   GLU 106           HA       GLU 106   5.231  20.366 -12.903
  233    HB2  GLU 106           HB2      GLU 106   4.497  17.612 -13.930
  234    HB3  GLU 106           HB3      GLU 106   5.025  19.036 -14.866
  235    HG2  GLU 106           HG2      GLU 106   7.226  18.811 -13.537
  236    HG3  GLU 106           HG3      GLU 106   6.552  17.251 -13.013
  237    H    TRP 107           H        TRP 107   2.940  17.795 -12.115
  238    HA   TRP 107           HA       TRP 107   0.704  18.907 -13.487
  239    HB2  TRP 107           HB2      TRP 107   0.695  17.230 -10.959
  240    HB3  TRP 107           HB3      TRP 107  -0.705  17.569 -11.974
  241    HD1  TRP 107           HD1      TRP 107   2.067  16.825 -14.290
  242    HE1  TRP 107           HE1      TRP 107   1.981  14.387 -15.067
  243    HE3  TRP 107           HE3      TRP 107  -1.382  15.011 -10.959
  244    HZ2  TRP 107           HZ2      TRP 107   0.808  11.940 -14.206
  245    HZ3  TRP 107           HZ3      TRP 107  -2.036  12.619 -11.051
  246    HH2  TRP 107           HH2      TRP 107  -0.915  11.065 -12.632
  247    H    LYS 108           H        LYS 108   1.854  19.655 -10.199
  248    HA   LYS 108           HA       LYS 108  -0.297  21.490  -9.535
  249    HB2  LYS 108           HB2      LYS 108   2.598  21.337  -8.571
  250    HB3  LYS 108           HB3      LYS 108   1.384  22.463  -7.933
  251    HG2  LYS 108           HG2      LYS 108  -0.079  20.521  -7.358
  252    HG3  LYS 108           HG3      LYS 108   1.215  19.423  -7.853
  253    HD2  LYS 108           HD2      LYS 108   2.748  20.576  -6.217
  254    HD3  LYS 108           HD3      LYS 108   1.361  21.549  -5.664
  255    HE2  LYS 108           HE2      LYS 108   0.149  19.336  -5.189
  256    HE3  LYS 108           HE3      LYS 108   1.653  18.506  -5.597
  257    HZ1  LYS 108           HZ1      LYS 108   1.158  20.293  -3.296
  258    HZ2  LYS 108           HZ2      LYS 108   1.757  18.754  -3.324
  259    HZ3  LYS 108           HZ3      LYS 108   2.688  20.050  -3.831
  260    H    ALA 109           H        ALA 109   2.790  21.917 -11.320
  261    HA   ALA 109           HA       ALA 109   2.660  24.769 -11.480
  262    HB1  ALA 109           HB1      ALA 109   3.945  22.797 -13.439
  263    HB2  ALA 109           HB2      ALA 109   4.348  24.493 -13.217
  264    HB3  ALA 109           HB3      ALA 109   4.699  23.319 -11.915
  265    H    LYS 110           H        LYS 110   1.794  22.156 -13.709
  266    HA   LYS 110           HA       LYS 110   0.961  23.763 -15.756
  267    HB2  LYS 110           HB2      LYS 110   0.764  20.818 -15.164
  268    HB3  LYS 110           HB3      LYS 110   0.072  21.472 -16.665
  269    HG2  LYS 110           HG2      LYS 110   2.273  22.414 -17.285
  270    HG3  LYS 110           HG3      LYS 110   2.973  21.810 -15.778
  271    HD2  LYS 110           HD2      LYS 110   3.639  20.239 -17.406
  272    HD3  LYS 110           HD3      LYS 110   2.321  19.472 -16.526
  273    HE2  LYS 110           HE2      LYS 110   1.847  18.978 -18.777
  274    HE3  LYS 110           HE3      LYS 110   0.756  20.315 -18.387
  275    HZ1  LYS 110           HZ1      LYS 110   1.880  20.649 -20.533
  276    HZ2  LYS 110           HZ2      LYS 110   2.342  21.832 -19.512
  277    HZ3  LYS 110           HZ3      LYS 110   3.354  20.586 -19.847
  278    H    TRP 111           H        TRP 111  -0.988  22.198 -13.261
  279    HA   TRP 111           HA       TRP 111  -3.464  23.523 -14.335
  280    HB2  TRP 111           HB2      TRP 111  -3.265  20.705 -13.240
  281    HB3  TRP 111           HB3      TRP 111  -4.739  21.519 -13.747
  282    HD1  TRP 111           HD1      TRP 111  -4.996  22.035 -16.418
  283    HE1  TRP 111           HE1      TRP 111  -4.049  20.851 -18.486
  284    HE3  TRP 111           HE3      TRP 111  -1.320  19.338 -14.156
  285    HZ2  TRP 111           HZ2      TRP 111  -1.916  18.978 -19.088
  286    HZ3  TRP 111           HZ3      TRP 111   0.259  17.952 -15.518
  287    HH2  TRP 111           HH2      TRP 111  -0.076  17.703 -17.945
  288    H    GLY 112           H        GLY 112  -2.140  21.980 -11.327
  289    HA2  GLY 112           HA2      GLY 112  -2.003  23.938  -9.613
  290    HA3  GLY 112           HA3      GLY 112  -3.751  23.938  -9.701
  291    HA   PRO 113           HA       PRO 113  -2.054  20.700  -6.581
  292    HB2  PRO 113           HB2      PRO 113  -2.362  22.094  -4.192
  293    HB3  PRO 113           HB3      PRO 113  -0.842  21.943  -5.116
  294    HG2  PRO 113           HG2      PRO 113  -2.828  24.213  -5.137
  295    HG3  PRO 113           HG3      PRO 113  -1.028  24.284  -5.098
  296    HD2  PRO 113           HD2      PRO 113  -2.446  24.664  -7.385
  297    HD3  PRO 113           HD3      PRO 113  -0.871  23.814  -7.391
  298    H    GLU 114           H        GLU 114  -4.786  22.987  -6.401
  299    HA   GLU 114           HA       GLU 114  -6.559  21.427  -4.796
  300    HB2  GLU 114           HB2      GLU 114  -7.366  23.173  -7.133
  301    HB3  GLU 114           HB3      GLU 114  -8.269  22.781  -5.637
  302    HG2  GLU 114           HG2      GLU 114  -6.455  24.058  -4.377
  303    HG3  GLU 114           HG3      GLU 114  -5.818  24.534  -5.965
  304    H    ALA 115           H        ALA 115  -6.077  21.652  -8.250
  305    HA   ALA 115           HA       ALA 115  -7.991  19.790  -9.179
  306    HB1  ALA 115           HB1      ALA 115  -5.272  20.316 -10.472
  307    HB2  ALA 115           HB2      ALA 115  -6.805  19.922 -11.259
  308    HB3  ALA 115           HB3      ALA 115  -6.604  21.521 -10.495
  309    H    VAL 116           H        VAL 116  -4.512  19.471  -8.658
  310    HA   VAL 116           HA       VAL 116  -4.165  16.847  -9.244
  311    HB   VAL 116           HB       VAL 116  -2.696  18.797  -7.489
  312   HG11  VAL 116          HG11      VAL 116  -1.662  16.035  -8.192
  313   HG12  VAL 116          HG12      VAL 116  -0.711  17.388  -7.492
  314   HG13  VAL 116          HG13      VAL 116  -2.007  16.645  -6.557
  315   HG21  VAL 116          HG21      VAL 116  -1.194  18.905  -9.399
  316   HG22  VAL 116          HG22      VAL 116  -2.008  17.509 -10.154
  317   HG23  VAL 116          HG23      VAL 116  -2.853  19.050 -10.029
  318    H    GLU 117           H        GLU 117  -4.816  18.195  -5.966
  319    HA   GLU 117           HA       GLU 117  -4.901  15.657  -4.583
  320    HB2  GLU 117           HB2      GLU 117  -6.048  18.452  -4.108
  321    HB3  GLU 117           HB3      GLU 117  -6.429  17.137  -3.011
  322    HG2  GLU 117           HG2      GLU 117  -3.534  17.755  -3.645
  323    HG3  GLU 117           HG3      GLU 117  -4.445  18.752  -2.506
  324    H    SER 118           H        SER 118  -7.357  17.548  -6.373
  325    HA   SER 118           HA       SER 118  -9.632  16.025  -5.435
  326    HB2  SER 118           HB2      SER 118  -9.364  17.690  -7.971
  327    HB3  SER 118           HB3      SER 118 -10.867  17.034  -7.310
  328    HG   SER 118           HG       SER 118  -9.132  18.973  -6.170
  329    H    TRP 119           H        TRP 119  -7.372  15.585  -8.114
  330    HA   TRP 119           HA       TRP 119  -8.789  13.343  -9.311
  331    HB2  TRP 119           HB2      TRP 119  -5.836  13.991  -9.521
  332    HB3  TRP 119           HB3      TRP 119  -6.837  13.042 -10.613
  333    HD1  TRP 119           HD1      TRP 119  -9.146  15.453 -10.781
  334    HE1  TRP 119           HE1      TRP 119  -8.652  17.426 -12.336
  335    HE3  TRP 119           HE3      TRP 119  -4.084  14.849 -11.265
  336    HZ2  TRP 119           HZ2      TRP 119  -6.344  18.631 -13.595
  337    HZ3  TRP 119           HZ3      TRP 119  -2.769  16.403 -12.691
  338    HH2  TRP 119           HH2      TRP 119  -3.880  18.303 -13.841
  339    H    ALA 120           H        ALA 120  -7.052  13.466  -6.300
  340    HA   ALA 120           HA       ALA 120  -5.560  11.101  -6.647
  341    HB1  ALA 120           HB1      ALA 120  -5.122  13.020  -5.006
  342    HB2  ALA 120           HB2      ALA 120  -6.327  12.255  -3.957
  343    HB3  ALA 120           HB3      ALA 120  -4.860  11.362  -4.419
  344    H    THR 121           H        THR 121  -5.572   9.469  -5.183
  345    HA   THR 121           HA       THR 121  -8.097   7.988  -4.420
  346    HB   THR 121           HB       THR 121  -5.760   6.990  -6.074
  347    HG1  THR 121           HG1      THR 121  -7.364   6.760  -7.722
  348   HG21  THR 121          HG21      THR 121  -7.363   4.969  -6.328
  349   HG22  THR 121          HG22      THR 121  -6.646   5.174  -4.728
  350   HG23  THR 121          HG23      THR 121  -8.313   5.731  -5.015
  351    H    LEU 122           H        LEU 122  -7.838   6.786  -2.621
  352    HA   LEU 122           HA       LEU 122  -5.293   7.062  -1.092
  353    HB2  LEU 122           HB2      LEU 122  -7.231   7.840   0.065
  354    HB3  LEU 122           HB3      LEU 122  -8.168   6.426  -0.396
  355    HG   LEU 122           HG       LEU 122  -6.803   4.981   1.074
  356   HD11  LEU 122          HD11      LEU 122  -4.630   6.171   1.056
  357   HD12  LEU 122          HD12      LEU 122  -5.372   7.522   1.948
  358   HD13  LEU 122          HD13      LEU 122  -5.213   5.909   2.689
  359   HD21  LEU 122          HD21      LEU 122  -7.579   5.852   3.229
  360   HD22  LEU 122          HD22      LEU 122  -7.821   7.463   2.508
  361   HD23  LEU 122          HD23      LEU 122  -8.812   6.082   1.979
  362    H    LEU 123           H        LEU 123  -3.953   5.413  -0.959
  363    HA   LEU 123           HA       LEU 123  -4.872   2.609  -1.410
  364    HB2  LEU 123           HB2      LEU 123  -2.287   3.993  -2.270
  365    HB3  LEU 123           HB3      LEU 123  -2.660   2.277  -2.496
  366    HG   LEU 123           HG       LEU 123  -4.153   4.633  -3.755
  367   HD11  LEU 123          HD11      LEU 123  -3.077   3.734  -5.836
  368   HD12  LEU 123          HD12      LEU 123  -1.907   4.319  -4.617
  369   HD13  LEU 123          HD13      LEU 123  -2.177   2.580  -4.844
  370   HD21  LEU 123          HD21      LEU 123  -4.424   1.610  -4.225
  371   HD22  LEU 123          HD22      LEU 123  -5.664   2.655  -3.504
  372   HD23  LEU 123          HD23      LEU 123  -5.204   2.877  -5.192
  373    H    GLY 124           H        GLY 124  -4.448   1.256   0.082
  374    HA2  GLY 124           HA2      GLY 124  -2.963   1.849   2.512
  375    HA3  GLY 124           HA3      GLY 124  -3.761   0.327   2.095
  376    H    HIS 125           H        HIS 125  -1.502   1.412  -0.271
  377    HA   HIS 125           HA       HIS 125   0.295  -0.815  -0.014
  378    HB2  HIS 125           HB2      HIS 125   0.641   1.770  -1.530
  379    HB3  HIS 125           HB3      HIS 125   1.612   0.303  -1.676
  380    HD1  HIS 125           HD1      HIS 125   0.193   1.387  -4.272
  381    HD2  HIS 125           HD2      HIS 125  -1.334  -1.521  -1.584
  382    HE1  HIS 125           HE1      HIS 125  -1.444  -0.075  -5.610
  383    HE2  HIS 125           HE2      HIS 125  -2.389  -1.827  -3.964
  384    H5'   DC   1           H5'       DC   1  -4.155  29.402   7.124
  385   H5''   DC   1          H5''       DC   1  -2.700  30.113   6.428
  386    H4'   DC   1           H4'       DC   1  -2.499  30.096   8.814
  387    H3'   DC   1           H3'       DC   1  -0.631  28.878   7.126
  388    H2'   DC   1           H2'       DC   1  -0.868  26.733   7.724
  389   H2''   DC   1          H2''       DC   1   0.085  27.129   9.146
  390    H1'   DC   1           H1'       DC   1  -1.712  27.406  10.543
  391    H41   DC   1           H41       DC   1  -4.692  21.818   8.586
  392    H42   DC   1           H42       DC   1  -4.634  21.843  10.354
  393    H5    DC   1           H5        DC   1  -3.760  23.673   7.234
  394    H6    DC   1           H6        DC   1  -2.714  25.849   7.391
  395   HO5'   DC   1          H5T        DC   1  -3.392  28.216   5.258
  396    H5'   DG   2           H5'       DG   2   0.569  29.232  11.731
  397   H5''   DG   2          H5''       DG   2   2.180  29.947  11.809
  398    H4'   DG   2           H4'       DG   2   2.082  28.446  13.591
  399    H3'   DG   2           H3'       DG   2   4.011  28.004  11.587
  400    H2'   DG   2           H2'       DG   2   2.956  26.132  10.706
  401   H2''   DG   2          H2''       DG   2   3.934  25.296  11.920
  402    H1'   DG   2           H1'       DG   2   2.171  25.292  13.524
  403    H8    DG   2           H8        DG   2   1.073  25.365   9.859
  404    H1    DG   2           H1        DG   2  -1.222  20.420  13.295
  405    H21   DG   2           H21       DG   2   0.580  21.881  15.829
  406    H22   DG   2           H22       DG   2  -0.434  20.532  15.310
  407    H5'   DC   3           H5'       DC   3   4.217  25.559  15.628
  408   H5''   DC   3          H5''       DC   3   5.886  25.468  16.185
  409    H4'   DC   3           H4'       DC   3   4.707  23.473  16.821
  410    H3'   DC   3           H3'       DC   3   7.018  23.333  15.053
  411    H2'   DC   3           H2'       DC   3   6.208  21.842  13.572
  412   H2''   DC   3          H2''       DC   3   6.077  20.645  14.865
  413    H1'   DC   3           H1'       DC   3   3.870  21.010  15.262
  414    H41   DC   3           H41       DC   3   1.983  21.533   8.935
  415    H42   DC   3           H42       DC   3   1.248  20.104   9.681
  416    H5    DC   3           H5        DC   3   3.622  22.898  10.169
  417    H6    DC   3           H6        DC   3   4.649  23.205  12.417
  418    H5'   DA   4           H5'       DA   4   5.960  19.615  17.365
  419   H5''   DA   4          H5''       DA   4   7.336  18.874  18.189
  420    H4'   DA   4           H4'       DA   4   6.067  17.117  17.301
  421    H3'   DA   4           H3'       DA   4   8.721  17.515  16.268
  422    H2'   DA   4           H2'       DA   4   8.005  17.874  14.126
  423   H2''   DA   4          H2''       DA   4   7.994  16.108  14.019
  424    H1'   DA   4           H1'       DA   4   5.664  15.970  14.625
  425    H8    DA   4           H8        DA   4   6.717  19.268  13.004
  426    H61   DA   4           H61       DA   4   2.604  17.716   8.556
  427    H62   DA   4           H62       DA   4   3.654  19.000   9.132
  428    H2    DA   4           H2        DA   4   2.815  14.419  11.386
  429    H5'   DT   5           H5'       DT   5   6.849  13.358  15.427
  430   H5''   DT   5          H5''       DT   5   8.009  12.083  15.822
  431    H4'   DT   5           H4'       DT   5   6.878  11.414  13.863
  432    H3'   DT   5           H3'       DT   5   9.720  11.864  13.751
  433    H2'   DT   5           H2'       DT   5   9.613  13.435  12.095
  434   H2''   DT   5          H2''       DT   5   9.423  12.055  11.001
  435    H1'   DT   5           H1'       DT   5   7.060  12.124  11.070
  436    H3    DT   5           H3        DT   5   5.584  15.300   8.223
  437    H71   DT   5           H71       DT   5   8.125  18.562  10.744
  438    H72   DT   5           H72       DT   5   9.402  17.528  11.430
  439    H73   DT   5           H73       DT   5   9.382  17.909   9.692
  440    H6    DT   5           H6        DT   5   8.796  15.369  11.830
  441    H5'   DA   6           H5'       DA   6   7.292   9.095  10.883
  442   H5''   DA   6          H5''       DA   6   8.179   7.583  10.700
  443    H4'   DA   6           H4'       DA   6   6.873   7.866   8.775
  444    H3'   DA   6           H3'       DA   6   9.650   7.576   8.543
  445    H2'   DA   6           H2'       DA   6  10.142   9.726   7.956
  446   H2''   DA   6          H2''       DA   6   9.764   9.187   6.332
  447    H1'   DA   6           H1'       DA   6   7.594  10.049   6.359
  448    H8    DA   6           H8        DA   6  10.013  11.636   8.883
  449    H61   DA   6           H61       DA   6   8.385  16.949   5.995
  450    H62   DA   6           H62       DA   6   9.527  16.276   7.159
  451    H2    DA   6           H2        DA   6   5.964  13.760   4.359
  452    H5'   DT   7           H5'       DT   7   6.913   7.864   5.092
  453   H5''   DT   7          H5''       DT   7   7.128   6.693   3.790
  454    H4'   DT   7           H4'       DT   7   6.306   8.829   2.952
  455    H3'   DT   7           H3'       DT   7   8.599   7.535   1.882
  456    H2'   DT   7           H2'       DT   7  10.062   9.216   2.614
  457   H2''   DT   7          H2''       DT   7   9.595   9.968   1.071
  458    H1'   DT   7           H1'       DT   7   7.747  11.141   2.081
  459    H3    DT   7           H3        DT   7   9.873  14.934   3.259
  460    H71   DT   7           H71       DT   7  12.036  12.415   6.776
  461    H72   DT   7           H72       DT   7  12.147  10.813   6.012
  462    H73   DT   7           H73       DT   7  13.163  12.157   5.440
  463    H6    DT   7           H6        DT   7  10.433  10.317   4.509
  464    H5'   DA   8           H5'       DA   8   7.406  10.756  -1.461
  465   H5''   DA   8          H5''       DA   8   7.540   9.855  -2.970
  466    H4'   DA   8           H4'       DA   8   8.761  11.817  -3.334
  467    H3'   DA   8           H3'       DA   8  10.479   9.430  -2.977
  468    H2'   DA   8           H2'       DA   8  11.948  10.487  -1.642
  469   H2''   DA   8          H2''       DA   8  12.402  11.472  -3.059
  470    H1'   DA   8           H1'       DA   8  10.960  13.208  -2.521
  471    H8    DA   8           H8        DA   8  11.628  11.042   0.700
  472    H61   DA   8           H61       DA   8  13.441  16.648   2.917
  473    H62   DA   8           H62       DA   8  13.217  14.988   3.461
  474    H2    DA   8           H2        DA   8  12.231  17.185  -1.087
  475    H5'   DT   9           H5'       DT   9  10.857  12.850  -6.005
  476   H5''   DT   9          H5''       DT   9  11.474  12.223  -7.546
  477    H4'   DT   9           H4'       DT   9  11.986  14.556  -7.412
  478    H3'   DT   9           H3'       DT   9  14.004  12.615  -7.725
  479    H2'   DT   9           H2'       DT   9  15.091  12.945  -5.783
  480   H2''   DT   9          H2''       DT   9  15.812  14.349  -6.550
  481    H1'   DT   9           H1'       DT   9  14.291  15.871  -5.667
  482    H3    DT   9           H3        DT   9  15.375  16.480  -1.315
  483    H71   DT   9           H71       DT   9  14.337  11.825  -0.553
  484    H72   DT   9           H72       DT   9  14.678  11.130  -2.156
  485    H73   DT   9           H73       DT   9  16.001  11.701  -1.120
  486    H6    DT   9           H6        DT   9  14.201  12.582  -3.908
  487    H5'   DG  10           H5'       DG  10  14.663  17.152  -8.204
  488   H5''   DG  10          H5''       DG  10  15.441  17.462  -9.756
  489    H4'   DG  10           H4'       DG  10  16.022  19.240  -8.318
  490    H3'   DG  10           H3'       DG  10  18.009  17.700  -9.533
  491    H2'   DG  10           H2'       DG  10  18.589  16.517  -7.612
  492   H2''   DG  10          H2''       DG  10  19.711  17.867  -7.401
  493    H1'   DG  10           H1'       DG  10  18.243  19.046  -5.956
  494    H8    DG  10           H8        DG  10  17.718  15.258  -6.064
  495    H1    DG  10           H1        DG  10  19.097  17.641  -0.246
  496    H21   DG  10           H21       DG  10  19.332  20.600  -1.965
  497    H22   DG  10           H22       DG  10  19.544  19.740  -0.439
  498    H5'   DC  11           H5'       DC  11  19.199  21.648  -7.156
  499   H5''   DC  11          H5''       DC  11  20.179  22.593  -8.274
  500    H4'   DC  11           H4'       DC  11  20.782  23.205  -6.063
  501    H3'   DC  11           H3'       DC  11  22.697  22.306  -7.881
  502    H2'   DC  11           H2'       DC  11  23.137  20.264  -6.931
  503   H2''   DC  11          H2''       DC  11  24.218  21.165  -5.873
  504    H1'   DC  11           H1'       DC  11  22.695  21.344  -4.143
  505    H41   DC  11           H41       DC  11  21.110  14.929  -3.979
  506    H42   DC  11           H42       DC  11  21.476  15.481  -2.341
  507    H5    DC  11           H5        DC  11  21.308  16.404  -5.894
  508    H6    DC  11           H6        DC  11  21.723  18.761  -6.550
  509    H5'   DG  12           H5'       DG  12  24.759  23.733  -3.969
  510   H5''   DG  12          H5''       DG  12  26.314  24.525  -4.250
  511    H4'   DG  12           H4'       DG  12  26.586  22.871  -2.541
  512    H3'   DG  12           H3'       DG  12  27.846  22.146  -5.177
  513   HO3'   DG  12          H3T        DG  12  29.742  22.526  -3.904
  514    H2'   DG  12           H2'       DG  12  28.050  19.973  -4.629
  515   H2''   DG  12          H2''       DG  12  28.666  20.349  -2.999
  516    H1'   DG  12           H1'       DG  12  26.598  20.241  -2.023
  517    H8    DG  12           H8        DG  12  25.784  19.313  -5.660
  518    H1    DG  12           H1        DG  12  24.771  14.707  -1.259
  519    H21   DG  12           H21       DG  12  26.099  17.060   0.873
  520    H22   DG  12           H22       DG  12  25.548  15.398   0.679
  521    H5'   DC  13           H5'       DC  13  25.626   7.808   3.342
  522   H5''   DC  13          H5''       DC  13  25.032   7.762   4.999
  523    H4'   DC  13           H4'       DC  13  26.361   9.730   4.677
  524    H3'   DC  13           H3'       DC  13  23.769   9.786   5.665
  525    H2'   DC  13           H2'       DC  13  22.754  10.736   3.799
  526   H2''   DC  13          H2''       DC  13  23.238  12.256   4.577
  527    H1'   DC  13           H1'       DC  13  25.235  12.415   3.369
  528    H41   DC  13           H41       DC  13  22.312  12.001  -2.548
  529    H42   DC  13           H42       DC  13  23.451  13.351  -2.569
  530    H5    DC  13           H5        DC  13  21.964  10.628  -0.545
  531    H6    DC  13           H6        DC  13  22.758  10.256   1.727
  532   HO5'   DC  13          H5T        DC  13  23.394   7.154   3.432
  533    H5'   DG  14           H5'       DG  14  26.244  14.070   6.021
  534   H5''   DG  14          H5''       DG  14  26.028  14.410   7.735
  535    H4'   DG  14           H4'       DG  14  26.214  16.495   6.745
  536    H3'   DG  14           H3'       DG  14  23.860  15.914   8.103
  537    H2'   DG  14           H2'       DG  14  22.517  15.590   6.223
  538   H2''   DG  14          H2''       DG  14  22.273  17.314   6.359
  539    H1'   DG  14           H1'       DG  14  23.855  17.843   4.737
  540    H8    DG  14           H8        DG  14  22.496  14.277   4.536
  541    H1    DG  14           H1        DG  14  22.304  17.586  -0.989
  542    H21   DG  14           H21       DG  14  23.783  20.041   0.907
  543    H22   DG  14           H22       DG  14  23.116  19.569  -0.659
  544    H5'   DC  15           H5'       DC  15  24.147  20.094   6.301
  545   H5''   DC  15          H5''       DC  15  23.434  21.428   7.207
  546    H4'   DC  15           H4'       DC  15  22.882  21.565   4.845
  547    H3'   DC  15           H3'       DC  15  20.643  21.113   6.770
  548    H2'   DC  15           H2'       DC  15  19.283  20.230   5.212
  549   H2''   DC  15          H2''       DC  15  19.581  21.578   4.088
  550    H1'   DC  15           H1'       DC  15  21.278  20.558   2.992
  551    H41   DC  15           H41       DC  15  18.679  14.516   2.573
  552    H42   DC  15           H42       DC  15  18.602  15.320   0.997
  553    H5    DC  15           H5        DC  15  19.427  15.730   4.580
  554    H6    DC  15           H6        DC  15  20.390  17.889   5.336
  555    H5'   DA  16           H5'       DA  16  20.592  23.749   3.233
  556   H5''   DA  16          H5''       DA  16  20.012  25.389   3.521
  557    H4'   DA  16           H4'       DA  16  19.409  24.800   1.322
  558    H3'   DA  16           H3'       DA  16  17.415  25.496   3.202
  559    H2'   DA  16           H2'       DA  16  16.567  23.349   3.374
  560   H2''   DA  16          H2''       DA  16  15.545  23.875   2.034
  561    H1'   DA  16           H1'       DA  16  17.017  22.958   0.379
  562    H8    DA  16           H8        DA  16  17.275  21.327   3.818
  563    H61   DA  16           H61       DA  16  15.715  16.081   0.775
  564    H62   DA  16           H62       DA  16  16.260  16.688   2.329
  565    H2    DA  16           H2        DA  16  15.391  19.366  -2.013
  566    H5'   DT  17           H5'       DT  17  15.911  24.942  -1.101
  567   H5''   DT  17          H5''       DT  17  14.850  26.251  -1.626
  568    H4'   DT  17           H4'       DT  17  13.998  24.201  -2.490
  569    H3'   DT  17           H3'       DT  17  12.390  25.778  -0.700
  570    H2'   DT  17           H2'       DT  17  12.132  24.104   0.842
  571   H2''   DT  17          H2''       DT  17  10.885  23.486  -0.247
  572    H1'   DT  17           H1'       DT  17  12.422  22.079  -1.426
  573    H3    DT  17           H3        DT  17  12.879  18.270   0.985
  574    H71   DT  17           H71       DT  17  14.620  20.940   4.590
  575    H72   DT  17           H72       DT  17  13.785  22.490   4.294
  576    H73   DT  17           H73       DT  17  12.884  21.091   4.906
  577    H6    DT  17           H6        DT  17  13.382  22.924   2.095
  578    H5'   DA  18           H5'       DA  18  10.451  22.492  -2.971
  579   H5''   DA  18          H5''       DA  18   9.106  23.071  -3.954
  580    H4'   DA  18           H4'       DA  18   8.418  20.981  -3.287
  581    H3'   DA  18           H3'       DA  18   6.998  23.134  -1.896
  582    H2'   DA  18           H2'       DA  18   7.485  22.330   0.162
  583   H2''   DA  18          H2''       DA  18   6.189  21.166  -0.175
  584    H1'   DA  18           H1'       DA  18   7.696  19.526  -0.939
  585    H8    DA  18           H8        DA  18   9.068  21.943   1.710
  586    H61   DA  18           H61       DA  18  10.911  16.543   4.410
  587    H62   DA  18           H62       DA  18  10.820  18.276   4.739
  588    H2    DA  18           H2        DA  18   9.470  15.648   0.510
  589    H5'   DT  19           H5'       DT  19   5.777  18.848  -2.385
  590   H5''   DT  19          H5''       DT  19   4.232  18.803  -3.245
  591    H4'   DT  19           H4'       DT  19   3.985  17.008  -1.763
  592    H3'   DT  19           H3'       DT  19   2.408  19.310  -1.086
  593    H2'   DT  19           H2'       DT  19   3.716  19.889   0.708
  594   H2''   DT  19          H2''       DT  19   2.568  18.806   1.542
  595    H1'   DT  19           H1'       DT  19   3.977  16.865   1.132
  596    H3    DT  19           H3        DT  19   6.968  16.480   4.432
  597    H71   DT  19           H71       DT  19   6.483  21.762   3.133
  598    H72   DT  19           H72       DT  19   6.115  21.305   4.813
  599    H73   DT  19           H73       DT  19   7.771  21.210   4.231
  600    H6    DT  19           H6        DT  19   5.411  20.178   1.783
  601    H5'   DA  20           H5'       DA  20  -1.354  15.583  -0.169
  602   H5''   DA  20          H5''       DA  20  -0.032  16.309   0.729
  603    H4'   DA  20           H4'       DA  20  -0.039  13.360   0.009
  604    H3'   DA  20           H3'       DA  20  -1.920  14.654   1.601
  605    H2'   DA  20           H2'       DA  20  -0.488  15.582   3.106
  606   H2''   DA  20          H2''       DA  20  -0.661  14.040   3.951
  607    H1'   DA  20           H1'       DA  20   1.336  13.154   3.128
  608    H8    DA  20           H8        DA  20   1.648  16.930   2.248
  609    H61   DA  20           H61       DA  20   5.252  17.362   7.285
  610    H62   DA  20           H62       DA  20   4.474  18.280   5.998
  611    H2    DA  20           H2        DA  20   3.941  13.240   6.997
  612    H5'   DT  21           H5'       DT  21  -0.503  11.176   3.919
  613   H5''   DT  21          H5''       DT  21  -1.873  10.067   4.024
  614    H4'   DT  21           H4'       DT  21  -0.761   9.790   6.047
  615    H3'   DT  21           H3'       DT  21  -3.346  10.757   6.127
  616    H2'   DT  21           H2'       DT  21  -2.865  12.963   6.636
  617   H2''   DT  21          H2''       DT  21  -2.898  12.338   8.301
  618    H1'   DT  21           H1'       DT  21  -0.610  12.020   8.412
  619    H3    DT  21           H3        DT  21   1.952  15.713   8.766
  620    H71   DT  21           H71       DT  21  -0.207  17.422   4.786
  621    H72   DT  21           H72       DT  21  -1.808  16.647   4.909
  622    H73   DT  21           H73       DT  21  -1.342  17.937   6.037
  623    H6    DT  21           H6        DT  21  -1.707  14.537   5.826
  624    H5'   DG  22           H5'       DG  22  -1.373   9.913  10.253
  625   H5''   DG  22          H5''       DG  22  -2.514   9.106  11.354
  626    H4'   DG  22           H4'       DG  22  -1.360  10.710  12.633
  627    H3'   DG  22           H3'       DG  22  -4.191  11.103  12.247
  628    H2'   DG  22           H2'       DG  22  -3.891  13.141  11.190
  629   H2''   DG  22          H2''       DG  22  -3.803  13.755  12.863
  630    H1'   DG  22           H1'       DG  22  -1.405  13.498  12.916
  631    H8    DG  22           H8        DG  22  -2.930  14.351   9.495
  632    H1    DG  22           H1        DG  22   1.190  18.675  11.939
  633    H21   DG  22           H21       DG  22   1.323  16.435  14.543
  634    H22   DG  22           H22       DG  22   1.819  18.005  13.903
  635    H5'   DC  23           H5'       DC  23  -1.614  12.713  15.890
  636   H5''   DC  23          H5''       DC  23  -2.530  12.265  17.325
  637    H4'   DC  23           H4'       DC  23  -1.154  14.074  17.919
  638    H3'   DC  23           H3'       DC  23  -3.924  14.231  18.225
  639    H2'   DC  23           H2'       DC  23  -4.361  15.773  16.571
  640   H2''   DC  23          H2''       DC  23  -3.919  16.965  17.775
  641    H1'   DC  23           H1'       DC  23  -1.735  17.197  17.042
  642    H41   DC  23           H41       DC  23  -3.680  18.157  10.785
  643    H42   DC  23           H42       DC  23  -2.633  19.492  11.283
  644    H5    DC  23           H5        DC  23  -4.230  16.331  12.306
  645    H6    DC  23           H6        DC  23  -3.766  15.433  14.574
  646    H5'   DG  24           H5'       DG  24  -2.005  17.983  20.116
  647   H5''   DG  24          H5''       DG  24  -2.834  18.505  21.584
  648    H4'   DG  24           H4'       DG  24  -2.605  20.395  20.172
  649    H3'   DG  24           H3'       DG  24  -5.425  19.345  20.205
  650   HO3'   DG  24          H3T        DG  24  -5.703  21.274  21.463
  651    H2'   DG  24           H2'       DG  24  -6.014  20.583  18.425
  652   H2''   DG  24          H2''       DG  24  -5.155  22.028  19.022
  653    H1'   DG  24           H1'       DG  24  -3.221  21.528  17.908
  654    H8    DG  24           H8        DG  24  -5.509  18.684  16.721
  655    H1    DG  24           H1        DG  24  -3.809  23.068  12.285
  656    H21   DG  24           H21       DG  24  -2.154  24.463  14.975
  657    H22   DG  24           H22       DG  24  -2.612  24.629  13.278
  Start of MODEL   13
    1    H    ALA  79           H1       ALA  79  -1.780   6.919   8.990
    2    HA   ALA  79           HA       ALA  79   1.058   6.137   9.391
    3    HB1  ALA  79           HB1      ALA  79   0.375   4.219   7.911
    4    HB2  ALA  79           HB2      ALA  79  -0.500   4.232   9.452
    5    HB3  ALA  79           HB3      ALA  79  -1.310   4.815   7.984
    6    H    ARG  80           H        ARG  80   2.337   6.039   7.520
    7    HA   ARG  80           HA       ARG  80   2.076   8.211   5.641
    8    HB2  ARG  80           HB2      ARG  80   4.027   5.894   5.875
    9    HB3  ARG  80           HB3      ARG  80   4.203   7.181   4.672
   10    HG2  ARG  80           HG2      ARG  80   3.897   7.810   7.622
   11    HG3  ARG  80           HG3      ARG  80   5.479   7.453   6.917
   12    HD2  ARG  80           HD2      ARG  80   5.577   9.450   5.787
   13    HD3  ARG  80           HD3      ARG  80   3.841   9.501   5.509
   14    HE   ARG  80           HE       ARG  80   5.281  10.321   8.004
   15   HH11  ARG  80          HH12      ARG  80   2.402  10.608   6.027
   16   HH12  ARG  80          HH11      ARG  80   1.567  11.578   7.181
   17   HH21  ARG  80          HH22      ARG  80   4.266  11.893   9.247
   18   HH22  ARG  80          HH21      ARG  80   2.591  12.276   8.967
   19    H    LYS  81           H        LYS  81  -0.190   7.257   5.142
   20    HA   LYS  81           HA       LYS  81  -0.710   5.201   3.268
   21    HB2  LYS  81           HB2      LYS  81  -2.077   7.845   3.984
   22    HB3  LYS  81           HB3      LYS  81  -2.778   6.690   2.850
   23    HG2  LYS  81           HG2      LYS  81  -3.251   5.110   4.478
   24    HG3  LYS  81           HG3      LYS  81  -2.017   5.707   5.611
   25    HD2  LYS  81           HD2      LYS  81  -3.309   7.661   6.146
   26    HD3  LYS  81           HD3      LYS  81  -4.527   7.289   4.913
   27    HE2  LYS  81           HE2      LYS  81  -5.265   5.313   6.074
   28    HE3  LYS  81           HE3      LYS  81  -3.883   5.349   7.169
   29    HZ1  LYS  81           HZ1      LYS  81  -5.980   7.466   7.144
   30    HZ2  LYS  81           HZ2      LYS  81  -5.940   6.221   8.209
   31    HZ3  LYS  81           HZ3      LYS  81  -4.737   7.330   8.208
   32    H    VAL  82           H        VAL  82  -0.423   5.031   1.324
   33    HA   VAL  82           HA       VAL  82   0.826   6.982  -0.451
   34    HB   VAL  82           HB       VAL  82  -0.465   4.285  -1.021
   35   HG11  VAL  82          HG11      VAL  82  -0.516   5.430  -3.084
   36   HG12  VAL  82          HG12      VAL  82   1.103   6.152  -2.854
   37   HG13  VAL  82          HG13      VAL  82   0.920   4.410  -3.159
   38   HG21  VAL  82          HG21      VAL  82   1.519   4.201   0.460
   39   HG22  VAL  82          HG22      VAL  82   1.773   3.409  -1.106
   40   HG23  VAL  82          HG23      VAL  82   2.468   5.017  -0.826
   41    H    LYS  83           H        LYS  83  -0.120   8.413  -1.750
   42    HA   LYS  83           HA       LYS  83  -3.013   8.175  -2.408
   43    HB2  LYS  83           HB2      LYS  83  -1.213  10.551  -2.028
   44    HB3  LYS  83           HB3      LYS  83  -2.352  10.597  -3.389
   45    HG2  LYS  83           HG2      LYS  83  -4.258  10.234  -1.991
   46    HG3  LYS  83           HG3      LYS  83  -3.236  10.047  -0.544
   47    HD2  LYS  83           HD2      LYS  83  -2.443  12.325  -0.705
   48    HD3  LYS  83           HD3      LYS  83  -3.203  12.543  -2.296
   49    HE2  LYS  83           HE2      LYS  83  -5.349  12.657  -1.471
   50    HE3  LYS  83           HE3      LYS  83  -4.919  11.886   0.084
   51    HZ1  LYS  83           HZ1      LYS  83  -5.236  14.349   0.206
   52    HZ2  LYS  83           HZ2      LYS  83  -3.806  13.820   0.769
   53    HZ3  LYS  83           HZ3      LYS  83  -3.909  14.555  -0.732
   54    H    GLN  84           H        GLN  84  -3.424   7.576  -4.409
   55    HA   GLN  84           HA       GLN  84  -1.246   7.513  -6.414
   56    HB2  GLN  84           HB2      GLN  84  -2.225   5.525  -6.903
   57    HB3  GLN  84           HB3      GLN  84  -3.716   5.904  -6.024
   58    HG2  GLN  84           HG2      GLN  84  -4.509   7.187  -7.950
   59    HG3  GLN  84           HG3      GLN  84  -3.000   6.826  -8.840
   60   HE21  GLN  84          HE22      GLN  84  -2.551   4.369  -9.175
   61   HE22  GLN  84          HE21      GLN  84  -3.969   3.361  -9.399
   62    H    TYR  85           H        TYR  85  -1.496   8.851  -8.151
   63    HA   TYR  85           HA       TYR  85  -3.792  10.775  -8.175
   64    HB2  TYR  85           HB2      TYR  85  -0.881  11.474  -8.745
   65    HB3  TYR  85           HB3      TYR  85  -2.252  12.566  -8.808
   66    HD1  TYR  85           HD2      TYR  85  -3.371  13.348  -6.793
   67    HD2  TYR  85           HD1      TYR  85   0.198  10.947  -6.598
   68    HE1  TYR  85           HE2      TYR  85  -2.956  14.187  -4.493
   69    HE2  TYR  85           HE1      TYR  85   0.633  11.787  -4.293
   70    HH   TYR  85           HH       TYR  85  -1.485  14.241  -2.748
   71    H    LYS  86           H        LYS  86  -4.617  11.123 -10.233
   72    HA   LYS  86           HA       LYS  86  -3.187   9.961 -12.593
   73    HB2  LYS  86           HB2      LYS  86  -4.838   8.335 -11.897
   74    HB3  LYS  86           HB3      LYS  86  -6.097   9.571 -11.767
   75    HG2  LYS  86           HG2      LYS  86  -6.175   9.896 -14.144
   76    HG3  LYS  86           HG3      LYS  86  -4.699   8.951 -14.396
   77    HD2  LYS  86           HD2      LYS  86  -5.895   6.923 -13.513
   78    HD3  LYS  86           HD3      LYS  86  -7.377   7.898 -13.375
   79    HE2  LYS  86           HE2      LYS  86  -7.253   8.375 -15.831
   80    HE3  LYS  86           HE3      LYS  86  -5.812   7.359 -15.948
   81    HZ1  LYS  86           HZ1      LYS  86  -7.168   5.454 -15.217
   82    HZ2  LYS  86           HZ2      LYS  86  -8.504   6.394 -15.101
   83    HZ3  LYS  86           HZ3      LYS  86  -7.816   6.118 -16.556
   84    H    ASN  87           H        ASN  87  -3.247  11.201 -14.387
   85    HA   ASN  87           HA       ASN  87  -4.437  13.912 -14.067
   86    HB2  ASN  87           HB2      ASN  87  -2.064  13.632 -14.294
   87    HB3  ASN  87           HB3      ASN  87  -2.247  12.872 -15.870
   88   HD21  ASN  87          HD22      ASN  87  -0.770  15.306 -15.173
   89   HD22  ASN  87          HD21      ASN  87  -1.568  16.616 -16.041
   90    HA   PRO  88           HA       PRO  88  -7.642  12.664 -17.087
   91    HB2  PRO  88           HB2      PRO  88  -8.174  15.619 -16.749
   92    HB3  PRO  88           HB3      PRO  88  -9.342  14.267 -16.840
   93    HG2  PRO  88           HG2      PRO  88  -8.698  15.356 -14.435
   94    HG3  PRO  88           HG3      PRO  88  -8.822  13.574 -14.608
   95    HD2  PRO  88           HD2      PRO  88  -6.334  15.302 -14.597
   96    HD3  PRO  88           HD3      PRO  88  -6.651  13.739 -13.782
   97    H    HIS  89           H        HIS  89  -5.266  15.278 -17.425
   98    HA   HIS  89           HA       HIS  89  -5.985  15.843 -20.229
   99    HB2  HIS  89           HB2      HIS  89  -3.752  16.988 -18.502
  100    HB3  HIS  89           HB3      HIS  89  -4.334  17.634 -20.031
  101    HD1  HIS  89           HD1      HIS  89  -6.926  18.674 -19.955
  102    HD2  HIS  89           HD2      HIS  89  -5.033  17.717 -16.300
  103    HE1  HIS  89           HE1      HIS  89  -8.277  19.854 -18.110
  104    HE2  HIS  89           HE2      HIS  89  -7.119  19.277 -15.886
  105    H    THR  90           H        THR  90  -3.633  13.848 -18.605
  106    HA   THR  90           HA       THR  90  -2.132  13.433 -21.177
  107    HB   THR  90           HB       THR  90  -0.127  13.139 -19.866
  108    HG1  THR  90           HG1      THR  90  -0.208  13.423 -17.627
  109   HG21  THR  90          HG21      THR  90  -1.556  15.582 -18.742
  110   HG22  THR  90          HG22      THR  90   0.197  15.331 -18.902
  111   HG23  THR  90          HG23      THR  90  -0.801  15.522 -20.356
  112    H    GLY  91           H        GLY  91  -3.799  11.761 -18.574
  113    HA2  GLY  91           HA2      GLY  91  -4.286   9.517 -18.333
  114    HA3  GLY  91           HA3      GLY  91  -3.418   9.145 -19.828
  115    H    GLU  92           H        GLU  92  -1.539  10.963 -17.527
  116    HA   GLU  92           HA       GLU  92   0.235   8.752 -16.891
  117    HB2  GLU  92           HB2      GLU  92   0.078  11.670 -16.055
  118    HB3  GLU  92           HB3      GLU  92   1.339  10.538 -15.525
  119    HG2  GLU  92           HG2      GLU  92   2.187  10.291 -17.734
  120    HG3  GLU  92           HG3      GLU  92   0.907  11.303 -18.421
  121    H    VAL  93           H        VAL  93   0.399   7.914 -14.913
  122    HA   VAL  93           HA       VAL  93  -1.300   8.791 -12.644
  123    HB   VAL  93           HB       VAL  93  -0.569   5.962 -13.349
  124   HG11  VAL  93          HG11      VAL  93  -2.547   7.027 -11.256
  125   HG12  VAL  93          HG12      VAL  93  -2.373   5.322 -11.694
  126   HG13  VAL  93          HG13      VAL  93  -1.042   6.155 -10.913
  127   HG21  VAL  93          HG21      VAL  93  -3.000   5.647 -13.942
  128   HG22  VAL  93          HG22      VAL  93  -3.214   7.406 -13.773
  129   HG23  VAL  93          HG23      VAL  93  -2.153   6.745 -15.032
  130    H    ILE  94           H        ILE  94  -0.407   8.354 -10.634
  131    HA   ILE  94           HA       ILE  94   2.414   7.588 -10.294
  132    HB   ILE  94           HB       ILE  94   1.884   9.851  -8.578
  133   HG12  ILE  94          HG12      ILE  94   1.865  10.728 -11.490
  134   HG13  ILE  94          HG13      ILE  94   0.463  10.740 -10.412
  135   HG21  ILE  94          HG21      ILE  94   4.054  10.548  -9.177
  136   HG22  ILE  94          HG22      ILE  94   4.097   8.793  -9.188
  137   HG23  ILE  94          HG23      ILE  94   3.995   9.679 -10.741
  138   HD11  ILE  94          HD11      ILE  94   3.009  12.349 -10.055
  139   HD12  ILE  94          HD12      ILE  94   1.379  12.952 -10.389
  140   HD13  ILE  94          HD13      ILE  94   1.737  12.192  -8.821
  141    H    GLU  95           H        GLU  95   2.920   7.508  -7.976
  142    HA   GLU  95           HA       GLU  95   0.764   7.229  -5.991
  143    HB2  GLU  95           HB2      GLU  95   2.598   5.039  -6.962
  144    HB3  GLU  95           HB3      GLU  95   2.006   5.046  -5.278
  145    HG2  GLU  95           HG2      GLU  95  -0.288   4.973  -5.988
  146    HG3  GLU  95           HG3      GLU  95   0.171   5.106  -7.692
  147    H    THR  96           H        THR  96   1.478   8.419  -4.306
  148    HA   THR  96           HA       THR  96   4.299   8.220  -3.399
  149    HB   THR  96           HB       THR  96   4.944  10.331  -3.734
  150    HG1  THR  96           HG1      THR  96   3.640  12.132  -3.472
  151   HG21  THR  96          HG21      THR  96   4.049  11.554  -5.669
  152   HG22  THR  96          HG22      THR  96   4.185   9.843  -6.071
  153   HG23  THR  96          HG23      THR  96   2.593  10.527  -5.662
  154    H    LYS  97           H        LYS  97   4.584   8.869  -1.162
  155    HA   LYS  97           HA       LYS  97   2.057   8.796   0.438
  156    HB2  LYS  97           HB2      LYS  97   4.938   8.644   1.299
  157    HB3  LYS  97           HB3      LYS  97   3.542   8.278   2.315
  158    HG2  LYS  97           HG2      LYS  97   3.028   6.290   1.041
  159    HG3  LYS  97           HG3      LYS  97   4.220   6.683  -0.196
  160    HD2  LYS  97           HD2      LYS  97   5.988   6.561   1.697
  161    HD3  LYS  97           HD3      LYS  97   4.725   5.775   2.643
  162    HE2  LYS  97           HE2      LYS  97   6.055   4.055   1.667
  163    HE3  LYS  97           HE3      LYS  97   4.518   4.046   0.802
  164    HZ1  LYS  97           HZ1      LYS  97   7.029   5.379  -0.181
  165    HZ2  LYS  97           HZ2      LYS  97   6.487   3.916  -0.694
  166    HZ3  LYS  97           HZ3      LYS  97   5.637   5.283  -1.016
  167    H    GLY  98           H        GLY  98   3.391  11.195  -1.045
  168    HA2  GLY  98           HA2      GLY  98   2.753  13.503  -0.338
  169    HA3  GLY  98           HA3      GLY  98   3.593  13.172   1.182
  170    H    GLY  99           H        GLY  99   4.716  15.131   0.542
  171    HA2  GLY  99           HA2      GLY  99   6.742  16.065   0.234
  172    HA3  GLY  99           HA3      GLY  99   7.346  14.495  -0.260
  173    H    ASN 100           H        ASN 100   8.429  16.692  -1.208
  174    HA   ASN 100           HA       ASN 100   7.816  17.587  -3.824
  175    HB2  ASN 100           HB2      ASN 100   9.488  18.687  -2.520
  176    HB3  ASN 100           HB3      ASN 100  10.272  17.187  -2.118
  177   HD21  ASN 100          HD22      ASN 100  12.113  18.612  -2.602
  178   HD22  ASN 100          HD21      ASN 100  12.795  18.273  -4.176
  179    H    HIS 101           H        HIS 101   7.124  16.123  -5.309
  180    HA   HIS 101           HA       HIS 101   9.013  13.994  -6.167
  181    HB2  HIS 101           HB2      HIS 101   7.088  13.057  -4.824
  182    HB3  HIS 101           HB3      HIS 101   5.985  13.648  -6.053
  183    HD1  HIS 101           HD1      HIS 101   8.934  11.086  -5.683
  184    HD2  HIS 101           HD2      HIS 101   5.676  12.100  -8.199
  185    HE1  HIS 101           HE1      HIS 101   8.725   9.204  -7.401
  186    HE2  HIS 101           HE2      HIS 101   6.768   9.816  -8.946
  187    H    LYS 102           H        LYS 102   9.386  13.894  -8.341
  188    HA   LYS 102           HA       LYS 102   9.209  16.263  -9.754
  189    HB2  LYS 102           HB2      LYS 102  10.833  14.413 -10.016
  190    HB3  LYS 102           HB3      LYS 102   9.677  13.553 -11.053
  191    HG2  LYS 102           HG2      LYS 102   9.726  15.389 -12.670
  192    HG3  LYS 102           HG3      LYS 102  10.574  16.422 -11.510
  193    HD2  LYS 102           HD2      LYS 102  12.411  14.486 -11.581
  194    HD3  LYS 102           HD3      LYS 102  11.664  14.131 -13.159
  195    HE2  LYS 102           HE2      LYS 102  12.051  16.440 -13.884
  196    HE3  LYS 102           HE3      LYS 102  12.489  16.901 -12.228
  197    HZ1  LYS 102           HZ1      LYS 102  14.458  15.514 -12.377
  198    HZ2  LYS 102           HZ2      LYS 102  14.090  15.021 -13.903
  199    HZ3  LYS 102           HZ3      LYS 102  14.486  16.588 -13.613
  200    H    THR 103           H        THR 103   7.371  13.421 -11.066
  201    HA   THR 103           HA       THR 103   5.915  14.965 -12.924
  202    HB   THR 103           HB       THR 103   4.911  12.434 -11.593
  203    HG1  THR 103           HG1      THR 103   6.007  11.430 -13.333
  204   HG21  THR 103          HG21      THR 103   3.155  13.379 -12.888
  205   HG22  THR 103          HG22      THR 103   4.265  13.902 -14.166
  206   HG23  THR 103          HG23      THR 103   3.870  12.171 -13.959
  207    H    LEU 104           H        LEU 104   5.029  14.178  -9.586
  208    HA   LEU 104           HA       LEU 104   2.429  15.304  -9.547
  209    HB2  LEU 104           HB2      LEU 104   3.446  13.769  -7.841
  210    HB3  LEU 104           HB3      LEU 104   4.506  15.078  -7.323
  211    HG   LEU 104           HG       LEU 104   2.548  16.379  -6.547
  212   HD11  LEU 104          HD11      LEU 104   0.971  13.873  -7.316
  213   HD12  LEU 104          HD12      LEU 104   0.343  15.220  -6.357
  214   HD13  LEU 104          HD13      LEU 104   0.795  15.476  -8.052
  215   HD21  LEU 104          HD21      LEU 104   2.020  14.963  -4.618
  216   HD22  LEU 104          HD22      LEU 104   2.614  13.530  -5.468
  217   HD23  LEU 104          HD23      LEU 104   3.735  14.838  -5.011
  218    H    LYS 105           H        LYS 105   5.626  16.861  -9.102
  219    HA   LYS 105           HA       LYS 105   4.543  19.464  -8.430
  220    HB2  LYS 105           HB2      LYS 105   6.807  18.795  -7.755
  221    HB3  LYS 105           HB3      LYS 105   7.285  18.588  -9.431
  222    HG2  LYS 105           HG2      LYS 105   8.212  20.651  -8.606
  223    HG3  LYS 105           HG3      LYS 105   7.048  20.984  -9.869
  224    HD2  LYS 105           HD2      LYS 105   6.717  22.634  -8.222
  225    HD3  LYS 105           HD3      LYS 105   5.342  21.544  -8.044
  226    HE2  LYS 105           HE2      LYS 105   6.553  20.409  -6.131
  227    HE3  LYS 105           HE3      LYS 105   7.894  21.539  -6.359
  228    HZ1  LYS 105           HZ1      LYS 105   5.137  22.195  -5.432
  229    HZ2  LYS 105           HZ2      LYS 105   6.504  22.389  -4.618
  230    HZ3  LYS 105           HZ3      LYS 105   6.208  23.374  -5.906
  231    H    GLU 106           H        GLU 106   5.334  17.889 -11.546
  232    HA   GLU 106           HA       GLU 106   5.177  20.329 -13.055
  233    HB2  GLU 106           HB2      GLU 106   4.478  17.571 -14.088
  234    HB3  GLU 106           HB3      GLU 106   5.017  18.990 -15.017
  235    HG2  GLU 106           HG2      GLU 106   7.180  18.782 -13.581
  236    HG3  GLU 106           HG3      GLU 106   6.496  17.204 -13.131
  237    H    TRP 107           H        TRP 107   2.879  17.780 -12.255
  238    HA   TRP 107           HA       TRP 107   0.620  18.915 -13.584
  239    HB2  TRP 107           HB2      TRP 107   0.637  17.272 -11.037
  240    HB3  TRP 107           HB3      TRP 107  -0.768  17.608 -12.045
  241    HD1  TRP 107           HD1      TRP 107   1.937  16.725 -14.393
  242    HE1  TRP 107           HE1      TRP 107   1.721  14.254 -15.112
  243    HE3  TRP 107           HE3      TRP 107  -1.531  15.140 -10.966
  244    HZ2  TRP 107           HZ2      TRP 107   0.708  11.850 -13.942
  245    HZ3  TRP 107           HZ3      TRP 107  -2.229  12.765 -10.944
  246    HH2  TRP 107           HH2      TRP 107  -1.054  11.091 -12.376
  247    H    LYS 108           H        LYS 108   1.862  19.631 -10.312
  248    HA   LYS 108           HA       LYS 108  -0.246  21.481  -9.589
  249    HB2  LYS 108           HB2      LYS 108   2.671  21.305  -8.690
  250    HB3  LYS 108           HB3      LYS 108   1.498  22.451  -8.039
  251    HG2  LYS 108           HG2      LYS 108   0.010  20.534  -7.423
  252    HG3  LYS 108           HG3      LYS 108   1.288  19.422  -7.914
  253    HD2  LYS 108           HD2      LYS 108   2.842  20.561  -6.290
  254    HD3  LYS 108           HD3      LYS 108   1.492  21.599  -5.780
  255    HE2  LYS 108           HE2      LYS 108   0.201  19.421  -5.268
  256    HE3  LYS 108           HE3      LYS 108   1.712  18.562  -5.573
  257    HZ1  LYS 108           HZ1      LYS 108   1.143  20.473  -3.387
  258    HZ2  LYS 108           HZ2      LYS 108   1.725  18.925  -3.312
  259    HZ3  LYS 108           HZ3      LYS 108   2.689  20.179  -3.845
  260    H    ALA 109           H        ALA 109   2.801  21.891 -11.458
  261    HA   ALA 109           HA       ALA 109   2.708  24.748 -11.607
  262    HB1  ALA 109           HB1      ALA 109   4.349  24.456 -13.375
  263    HB2  ALA 109           HB2      ALA 109   4.709  23.258 -12.100
  264    HB3  ALA 109           HB3      ALA 109   3.901  22.769 -13.612
  265    H    LYS 110           H        LYS 110   1.723  22.152 -13.817
  266    HA   LYS 110           HA       LYS 110   0.854  23.810 -15.815
  267    HB2  LYS 110           HB2      LYS 110   0.655  20.861 -15.268
  268    HB3  LYS 110           HB3      LYS 110  -0.076  21.543 -16.740
  269    HG2  LYS 110           HG2      LYS 110   2.128  22.513 -17.379
  270    HG3  LYS 110           HG3      LYS 110   2.851  21.831 -15.924
  271    HD2  LYS 110           HD2      LYS 110   3.444  20.316 -17.636
  272    HD3  LYS 110           HD3      LYS 110   2.137  19.531 -16.759
  273    HE2  LYS 110           HE2      LYS 110   1.611  19.172 -19.028
  274    HE3  LYS 110           HE3      LYS 110   0.539  20.489 -18.531
  275    HZ1  LYS 110           HZ1      LYS 110   3.095  20.841 -20.039
  276    HZ2  LYS 110           HZ2      LYS 110   1.606  20.926 -20.694
  277    HZ3  LYS 110           HZ3      LYS 110   2.085  22.058 -19.623
  278    H    TRP 111           H        TRP 111  -1.035  22.211 -13.297
  279    HA   TRP 111           HA       TRP 111  -3.534  23.564 -14.277
  280    HB2  TRP 111           HB2      TRP 111  -3.341  20.733 -13.214
  281    HB3  TRP 111           HB3      TRP 111  -4.809  21.568 -13.703
  282    HD1  TRP 111           HD1      TRP 111  -5.069  22.112 -16.373
  283    HE1  TRP 111           HE1      TRP 111  -4.148  20.930 -18.454
  284    HE3  TRP 111           HE3      TRP 111  -1.438  19.319 -14.152
  285    HZ2  TRP 111           HZ2      TRP 111  -2.024  19.063 -19.087
  286    HZ3  TRP 111           HZ3      TRP 111   0.125  17.937 -15.530
  287    HH2  TRP 111           HH2      TRP 111  -0.190  17.751 -17.969
  288    H    GLY 112           H        GLY 112  -2.120  22.003 -11.324
  289    HA2  GLY 112           HA2      GLY 112  -1.941  23.925  -9.591
  290    HA3  GLY 112           HA3      GLY 112  -3.690  23.951  -9.640
  291    HA   PRO 113           HA       PRO 113  -1.930  20.691  -6.577
  292    HB2  PRO 113           HB2      PRO 113  -2.196  22.068  -4.176
  293    HB3  PRO 113           HB3      PRO 113  -0.697  21.938  -5.138
  294    HG2  PRO 113           HG2      PRO 113  -2.707  24.195  -5.111
  295    HG3  PRO 113           HG3      PRO 113  -0.914  24.283  -5.095
  296    HD2  PRO 113           HD2      PRO 113  -2.358  24.663  -7.360
  297    HD3  PRO 113           HD3      PRO 113  -0.782  23.808  -7.394
  298    H    GLU 114           H        GLU 114  -4.677  22.958  -6.314
  299    HA   GLU 114           HA       GLU 114  -6.382  21.372  -4.667
  300    HB2  GLU 114           HB2      GLU 114  -7.282  23.145  -6.952
  301    HB3  GLU 114           HB3      GLU 114  -8.125  22.725  -5.437
  302    HG2  GLU 114           HG2      GLU 114  -6.279  23.994  -4.217
  303    HG3  GLU 114           HG3      GLU 114  -5.694  24.501  -5.811
  304    H    ALA 115           H        ALA 115  -6.019  21.651  -8.138
  305    HA   ALA 115           HA       ALA 115  -7.953  19.789  -9.036
  306    HB1  ALA 115           HB1      ALA 115  -6.606  21.545 -10.358
  307    HB2  ALA 115           HB2      ALA 115  -5.272  20.337 -10.401
  308    HB3  ALA 115           HB3      ALA 115  -6.827  19.959 -11.148
  309    H    VAL 116           H        VAL 116  -4.460  19.476  -8.613
  310    HA   VAL 116           HA       VAL 116  -4.117  16.856  -9.235
  311    HB   VAL 116           HB       VAL 116  -2.612  18.801  -7.499
  312   HG11  VAL 116          HG11      VAL 116  -1.571  16.057  -8.237
  313   HG12  VAL 116          HG12      VAL 116  -0.618  17.406  -7.545
  314   HG13  VAL 116          HG13      VAL 116  -1.891  16.652  -6.592
  315   HG21  VAL 116          HG21      VAL 116  -2.838  19.077 -10.023
  316   HG22  VAL 116          HG22      VAL 116  -1.158  18.912  -9.452
  317   HG23  VAL 116          HG23      VAL 116  -2.001  17.532 -10.194
  318    H    GLU 117           H        GLU 117  -4.694  18.175  -5.935
  319    HA   GLU 117           HA       GLU 117  -4.736  15.601  -4.587
  320    HB2  GLU 117           HB2      GLU 117  -5.806  18.390  -3.978
  321    HB3  GLU 117           HB3      GLU 117  -6.115  17.042  -2.892
  322    HG2  GLU 117           HG2      GLU 117  -3.268  17.659  -3.725
  323    HG3  GLU 117           HG3      GLU 117  -4.076  18.615  -2.484
  324    H    SER 118           H        SER 118  -7.228  17.529  -6.272
  325    HA   SER 118           HA       SER 118  -9.486  16.001  -5.280
  326    HB2  SER 118           HB2      SER 118  -9.276  17.697  -7.805
  327    HB3  SER 118           HB3      SER 118 -10.762  17.036  -7.122
  328    HG   SER 118           HG       SER 118  -9.004  18.951  -5.984
  329    H    TRP 119           H        TRP 119  -7.317  15.589  -8.039
  330    HA   TRP 119           HA       TRP 119  -8.780  13.372  -9.215
  331    HB2  TRP 119           HB2      TRP 119  -5.833  14.002  -9.512
  332    HB3  TRP 119           HB3      TRP 119  -6.870  13.075 -10.587
  333    HD1  TRP 119           HD1      TRP 119  -9.178  15.500 -10.634
  334    HE1  TRP 119           HE1      TRP 119  -8.726  17.495 -12.176
  335    HE3  TRP 119           HE3      TRP 119  -4.137  14.873 -11.315
  336    HZ2  TRP 119           HZ2      TRP 119  -6.463  18.692 -13.509
  337    HZ3  TRP 119           HZ3      TRP 119  -2.867  16.438 -12.775
  338    HH2  TRP 119           HH2      TRP 119  -4.012  18.348 -13.862
  339    H    ALA 120           H        ALA 120  -6.954  13.442  -6.271
  340    HA   ALA 120           HA       ALA 120  -5.494  11.059  -6.646
  341    HB1  ALA 120           HB1      ALA 120  -5.001  12.959  -5.010
  342    HB2  ALA 120           HB2      ALA 120  -6.246  12.240  -3.962
  343    HB3  ALA 120           HB3      ALA 120  -4.799  11.301  -4.395
  344    H    THR 121           H        THR 121  -5.524   9.415  -5.188
  345    HA   THR 121           HA       THR 121  -8.068   7.976  -4.416
  346    HB   THR 121           HB       THR 121  -5.731   6.935  -6.040
  347    HG1  THR 121           HG1      THR 121  -7.330   6.724  -7.705
  348   HG21  THR 121          HG21      THR 121  -7.364   4.950  -6.325
  349   HG22  THR 121          HG22      THR 121  -6.683   5.140  -4.708
  350   HG23  THR 121          HG23      THR 121  -8.331   5.727  -5.036
  351    H    LEU 122           H        LEU 122  -7.805   6.696  -2.636
  352    HA   LEU 122           HA       LEU 122  -5.268   7.036  -1.103
  353    HB2  LEU 122           HB2      LEU 122  -7.224   7.859   0.008
  354    HB3  LEU 122           HB3      LEU 122  -8.139   6.408  -0.369
  355    HG   LEU 122           HG       LEU 122  -6.739   5.067   1.159
  356   HD11  LEU 122          HD11      LEU 122  -5.167   6.120   2.717
  357   HD12  LEU 122          HD12      LEU 122  -4.597   6.307   1.067
  358   HD13  LEU 122          HD13      LEU 122  -5.360   7.686   1.892
  359   HD21  LEU 122          HD21      LEU 122  -7.524   6.026   3.264
  360   HD22  LEU 122          HD22      LEU 122  -7.817   7.589   2.462
  361   HD23  LEU 122          HD23      LEU 122  -8.768   6.155   2.009
  362    H    LEU 123           H        LEU 123  -3.920   5.400  -0.944
  363    HA   LEU 123           HA       LEU 123  -4.819   2.589  -1.360
  364    HB2  LEU 123           HB2      LEU 123  -2.241   3.970  -2.222
  365    HB3  LEU 123           HB3      LEU 123  -2.602   2.254  -2.420
  366    HG   LEU 123           HG       LEU 123  -4.083   4.592  -3.716
  367   HD11  LEU 123          HD11      LEU 123  -1.862   4.241  -4.611
  368   HD12  LEU 123          HD12      LEU 123  -2.141   2.499  -4.783
  369   HD13  LEU 123          HD13      LEU 123  -3.052   3.636  -5.793
  370   HD21  LEU 123          HD21      LEU 123  -5.196   2.851  -5.099
  371   HD22  LEU 123          HD22      LEU 123  -4.407   1.571  -4.143
  372   HD23  LEU 123          HD23      LEU 123  -5.615   2.630  -3.400
  373    H    GLY 124           H        GLY 124  -4.608   1.362   0.250
  374    HA2  GLY 124           HA2      GLY 124  -3.194   2.169   2.686
  375    HA3  GLY 124           HA3      GLY 124  -4.246   0.771   2.482
  376    H    HIS 125           H        HIS 125  -2.167   0.313   0.031
  377    HA   HIS 125           HA       HIS 125   0.074  -0.935   1.532
  378    HB2  HIS 125           HB2      HIS 125  -1.610  -2.478  -0.453
  379    HB3  HIS 125           HB3      HIS 125  -0.184  -3.019   0.428
  380    HD1  HIS 125           HD1      HIS 125  -0.560  -3.152   3.239
  381    HD2  HIS 125           HD2      HIS 125  -3.921  -2.973   0.686
  382    HE1  HIS 125           HE1      HIS 125  -2.574  -3.965   4.633
  383    HE2  HIS 125           HE2      HIS 125  -4.620  -3.859   3.067
  384    H5'   DC   1           H5'       DC   1  -4.366  29.606   7.505
  385   H5''   DC   1          H5''       DC   1  -2.935  30.365   6.805
  386    H4'   DC   1           H4'       DC   1  -2.670  30.277   9.175
  387    H3'   DC   1           H3'       DC   1  -0.840  29.116   7.408
  388    H2'   DC   1           H2'       DC   1  -1.045  26.951   7.965
  389   H2''   DC   1          H2''       DC   1  -0.062  27.320   9.369
  390    H1'   DC   1           H1'       DC   1  -1.827  27.549  10.816
  391    H41   DC   1           H41       DC   1  -4.777  21.971   8.790
  392    H42   DC   1           H42       DC   1  -4.677  21.957  10.557
  393    H5    DC   1           H5        DC   1  -3.907  23.872   7.463
  394    H6    DC   1           H6        DC   1  -2.894  26.064   7.653
  395   HO5'   DC   1          H5T        DC   1  -3.622  28.491   5.588
  396    H5'   DG   2           H5'       DG   2   0.452  29.369  11.998
  397   H5''   DG   2          H5''       DG   2   2.054  30.098  12.063
  398    H4'   DG   2           H4'       DG   2   1.999  28.554  13.816
  399    H3'   DG   2           H3'       DG   2   3.897  28.182  11.772
  400    H2'   DG   2           H2'       DG   2   2.849  26.316  10.860
  401   H2''   DG   2          H2''       DG   2   3.858  25.465  12.044
  402    H1'   DG   2           H1'       DG   2   2.122  25.408  13.680
  403    H8    DG   2           H8        DG   2   0.956  25.549  10.035
  404    H1    DG   2           H1        DG   2  -1.226  20.505  13.410
  405    H21   DG   2           H21       DG   2   0.603  21.940  15.940
  406    H22   DG   2           H22       DG   2  -0.415  20.591  15.420
  407    H5'   DC   3           H5'       DC   3   4.187  25.649  15.752
  408   H5''   DC   3          H5''       DC   3   5.863  25.563  16.287
  409    H4'   DC   3           H4'       DC   3   4.727  23.547  16.908
  410    H3'   DC   3           H3'       DC   3   7.001  23.459  15.093
  411    H2'   DC   3           H2'       DC   3   6.177  21.990  13.600
  412   H2''   DC   3          H2''       DC   3   6.079  20.764  14.873
  413    H1'   DC   3           H1'       DC   3   3.878  21.108  15.313
  414    H41   DC   3           H41       DC   3   1.903  21.743   9.018
  415    H42   DC   3           H42       DC   3   1.203  20.283   9.734
  416    H5    DC   3           H5        DC   3   3.529  23.108  10.262
  417    H6    DC   3           H6        DC   3   4.583  23.375  12.506
  418    H5'   DA   4           H5'       DA   4   6.028  19.673  17.358
  419   H5''   DA   4          H5''       DA   4   7.423  18.922  18.131
  420    H4'   DA   4           H4'       DA   4   6.140  17.178  17.218
  421    H3'   DA   4           H3'       DA   4   8.775  17.617  16.152
  422    H2'   DA   4           H2'       DA   4   8.034  17.990  14.010
  423   H2''   DA   4          H2''       DA   4   8.004  16.230  13.899
  424    H1'   DA   4           H1'       DA   4   5.691  16.092  14.537
  425    H8    DA   4           H8        DA   4   6.716  19.417  12.955
  426    H61   DA   4           H61       DA   4   2.513  17.922   8.562
  427    H62   DA   4           H62       DA   4   3.560  19.214   9.131
  428    H2    DA   4           H2        DA   4   2.808  14.584  11.311
  429    H5'   DT   5           H5'       DT   5   6.849  13.398  15.414
  430   H5''   DT   5          H5''       DT   5   8.048  12.164  15.810
  431    H4'   DT   5           H4'       DT   5   6.823  11.381  13.940
  432    H3'   DT   5           H3'       DT   5   9.648  11.827  13.689
  433    H2'   DT   5           H2'       DT   5   9.489  13.358  12.004
  434   H2''   DT   5          H2''       DT   5   9.263  11.954  10.952
  435    H1'   DT   5           H1'       DT   5   6.902  12.049  11.062
  436    H3    DT   5           H3        DT   5   5.448  15.246   8.201
  437    H71   DT   5           H71       DT   5   9.293  17.790   9.680
  438    H72   DT   5           H72       DT   5   8.031  18.489  10.691
  439    H73   DT   5           H73       DT   5   9.274  17.442  11.421
  440    H6    DT   5           H6        DT   5   8.645  15.289  11.823
  441    H5'   DA   6           H5'       DA   6   7.237   9.056  10.835
  442   H5''   DA   6          H5''       DA   6   8.124   7.537  10.662
  443    H4'   DA   6           H4'       DA   6   6.874   7.834   8.712
  444    H3'   DA   6           H3'       DA   6   9.665   7.582   8.529
  445    H2'   DA   6           H2'       DA   6  10.142   9.715   7.921
  446   H2''   DA   6          H2''       DA   6   9.760   9.172   6.299
  447    H1'   DA   6           H1'       DA   6   7.597  10.025   6.313
  448    H8    DA   6           H8        DA   6   9.993  11.620   8.852
  449    H61   DA   6           H61       DA   6   8.303  16.945   6.019
  450    H62   DA   6           H62       DA   6   9.434  16.280   7.197
  451    H2    DA   6           H2        DA   6   5.935  13.742   4.330
  452    H5'   DT   7           H5'       DT   7   6.947   7.724   5.031
  453   H5''   DT   7          H5''       DT   7   7.229   6.579   3.722
  454    H4'   DT   7           H4'       DT   7   6.339   8.701   2.916
  455    H3'   DT   7           H3'       DT   7   8.654   7.463   1.839
  456    H2'   DT   7           H2'       DT   7  10.078   9.177   2.560
  457   H2''   DT   7          H2''       DT   7   9.584   9.917   1.018
  458    H1'   DT   7           H1'       DT   7   7.733  11.065   2.039
  459    H3    DT   7           H3        DT   7   9.794  14.883   3.263
  460    H71   DT   7           H71       DT   7  13.116  12.145   5.428
  461    H72   DT   7           H72       DT   7  11.978  12.361   6.763
  462    H73   DT   7           H73       DT   7  12.126  10.770   5.983
  463    H6    DT   7           H6        DT   7  10.427  10.261   4.460
  464    H5'   DA   8           H5'       DA   8   7.376  10.689  -1.453
  465   H5''   DA   8          H5''       DA   8   7.496   9.811  -2.976
  466    H4'   DA   8           H4'       DA   8   8.691  11.785  -3.343
  467    H3'   DA   8           H3'       DA   8  10.428   9.415  -3.033
  468    H2'   DA   8           H2'       DA   8  11.871  10.444  -1.638
  469   H2''   DA   8          H2''       DA   8  12.362  11.439  -3.036
  470    H1'   DA   8           H1'       DA   8  10.908  13.176  -2.527
  471    H8    DA   8           H8        DA   8  11.594  11.012   0.686
  472    H61   DA   8           H61       DA   8  13.350  16.619   2.941
  473    H62   DA   8           H62       DA   8  13.147  14.950   3.465
  474    H2    DA   8           H2        DA   8  12.129  17.173  -1.066
  475    H5'   DT   9           H5'       DT   9  10.808  12.913  -5.981
  476   H5''   DT   9          H5''       DT   9  11.399  12.282  -7.529
  477    H4'   DT   9           H4'       DT   9  11.906  14.616  -7.429
  478    H3'   DT   9           H3'       DT   9  13.920  12.696  -7.766
  479    H2'   DT   9           H2'       DT   9  15.012  12.978  -5.807
  480   H2''   DT   9          H2''       DT   9  15.750  14.384  -6.557
  481    H1'   DT   9           H1'       DT   9  14.275  15.909  -5.650
  482    H3    DT   9           H3        DT   9  15.273  16.450  -1.268
  483    H71   DT   9           H71       DT   9  14.615  11.115  -2.222
  484    H72   DT   9           H72       DT   9  15.942  11.670  -1.177
  485    H73   DT   9           H73       DT   9  14.280  11.773  -0.600
  486    H6    DT   9           H6        DT   9  14.130  12.594  -3.939
  487    H5'   DG  10           H5'       DG  10  14.626  17.248  -8.160
  488   H5''   DG  10          H5''       DG  10  15.404  17.573  -9.708
  489    H4'   DG  10           H4'       DG  10  16.015  19.323  -8.253
  490    H3'   DG  10           H3'       DG  10  17.989  17.770  -9.474
  491    H2'   DG  10           H2'       DG  10  18.541  16.566  -7.561
  492   H2''   DG  10          H2''       DG  10  19.680  17.895  -7.329
  493    H1'   DG  10           H1'       DG  10  18.216  19.083  -5.884
  494    H8    DG  10           H8        DG  10  17.645  15.304  -6.033
  495    H1    DG  10           H1        DG  10  19.026  17.602  -0.175
  496    H21   DG  10           H21       DG  10  19.297  20.582  -1.852
  497    H22   DG  10           H22       DG  10  19.496  19.692  -0.339
  498    H5'   DC  11           H5'       DC  11  19.234  21.662  -7.043
  499   H5''   DC  11          H5''       DC  11  20.243  22.603  -8.137
  500    H4'   DC  11           H4'       DC  11  20.842  23.164  -5.912
  501    H3'   DC  11           H3'       DC  11  22.749  22.264  -7.732
  502    H2'   DC  11           H2'       DC  11  23.132  20.181  -6.822
  503   H2''   DC  11          H2''       DC  11  24.235  21.039  -5.753
  504    H1'   DC  11           H1'       DC  11  22.716  21.237  -4.023
  505    H41   DC  11           H41       DC  11  21.003  14.848  -3.914
  506    H42   DC  11           H42       DC  11  21.379  15.381  -2.273
  507    H5    DC  11           H5        DC  11  21.232  16.339  -5.818
  508    H6    DC  11           H6        DC  11  21.692  18.697  -6.452
  509    H5'   DG  12           H5'       DG  12  24.820  23.516  -3.775
  510   H5''   DG  12          H5''       DG  12  26.388  24.289  -4.023
  511    H4'   DG  12           H4'       DG  12  26.643  22.582  -2.372
  512    H3'   DG  12           H3'       DG  12  27.856  21.881  -5.035
  513   HO3'   DG  12          H3T        DG  12  29.780  22.196  -3.781
  514    H2'   DG  12           H2'       DG  12  28.023  19.698  -4.529
  515   H2''   DG  12          H2''       DG  12  28.655  20.027  -2.896
  516    H1'   DG  12           H1'       DG  12  26.592  19.952  -1.913
  517    H8    DG  12           H8        DG  12  25.750  19.085  -5.559
  518    H1    DG  12           H1        DG  12  24.629  14.461  -1.203
  519    H21   DG  12           H21       DG  12  26.009  16.771   0.949
  520    H22   DG  12           H22       DG  12  25.431  15.117   0.740
  521    H5'   DC  13           H5'       DC  13  25.331   7.524   3.409
  522   H5''   DC  13          H5''       DC  13  24.756   7.500   5.072
  523    H4'   DC  13           H4'       DC  13  26.108   9.454   4.719
  524    H3'   DC  13           H3'       DC  13  23.516   9.548   5.719
  525    H2'   DC  13           H2'       DC  13  22.516  10.522   3.855
  526   H2''   DC  13          H2''       DC  13  23.040  12.032   4.631
  527    H1'   DC  13           H1'       DC  13  25.040  12.136   3.424
  528    H41   DC  13           H41       DC  13  22.103  11.845  -2.493
  529    H42   DC  13           H42       DC  13  23.280  13.160  -2.508
  530    H5    DC  13           H5        DC  13  21.712  10.472  -0.497
  531    H6    DC  13           H6        DC  13  22.498  10.065   1.773
  532   HO5'   DC  13          H5T        DC  13  23.087   6.907   3.528
  533    H5'   DG  14           H5'       DG  14  26.097  13.782   6.085
  534   H5''   DG  14          H5''       DG  14  25.890  14.113   7.801
  535    H4'   DG  14           H4'       DG  14  26.117  16.198   6.819
  536    H3'   DG  14           H3'       DG  14  23.748  15.660   8.172
  537    H2'   DG  14           H2'       DG  14  22.400  15.387   6.281
  538   H2''   DG  14          H2''       DG  14  22.204  17.120   6.431
  539    H1'   DG  14           H1'       DG  14  23.805  17.617   4.825
  540    H8    DG  14           H8        DG  14  22.363  14.085   4.594
  541    H1    DG  14           H1        DG  14  22.240  17.449  -0.900
  542    H21   DG  14           H21       DG  14  23.782  19.849   1.007
  543    H22   DG  14           H22       DG  14  23.093  19.404  -0.559
  544    H5'   DC  15           H5'       DC  15  24.132  19.852   6.390
  545   H5''   DC  15          H5''       DC  15  23.452  21.195   7.312
  546    H4'   DC  15           H4'       DC  15  22.889  21.371   4.953
  547    H3'   DC  15           H3'       DC  15  20.643  20.929   6.878
  548    H2'   DC  15           H2'       DC  15  19.277  20.082   5.317
  549   H2''   DC  15          H2''       DC  15  19.578  21.440   4.204
  550    H1'   DC  15           H1'       DC  15  21.263  20.414   3.091
  551    H41   DC  15           H41       DC  15  18.554  14.420   2.605
  552    H42   DC  15           H42       DC  15  18.487  15.253   1.041
  553    H5    DC  15           H5        DC  15  19.328  15.603   4.626
  554    H6    DC  15           H6        DC  15  20.340  17.727   5.401
  555    H5'   DA  16           H5'       DA  16  20.602  23.602   3.366
  556   H5''   DA  16          H5''       DA  16  20.044  25.244   3.675
  557    H4'   DA  16           H4'       DA  16  19.408  24.691   1.482
  558    H3'   DA  16           H3'       DA  16  17.430  25.364   3.387
  559    H2'   DA  16           H2'       DA  16  16.576  23.223   3.527
  560   H2''   DA  16          H2''       DA  16  15.548  23.775   2.206
  561    H1'   DA  16           H1'       DA  16  17.008  22.889   0.520
  562    H8    DA  16           H8        DA  16  17.274  21.184   3.922
  563    H61   DA  16           H61       DA  16  15.619  16.019   0.793
  564    H62   DA  16           H62       DA  16  16.187  16.589   2.355
  565    H2    DA  16           H2        DA  16  15.296  19.363  -1.925
  566    H5'   DT  17           H5'       DT  17  15.936  24.877  -0.937
  567   H5''   DT  17          H5''       DT  17  14.898  26.215  -1.434
  568    H4'   DT  17           H4'       DT  17  14.035  24.214  -2.384
  569    H3'   DT  17           H3'       DT  17  12.424  25.775  -0.594
  570    H2'   DT  17           H2'       DT  17  12.153  24.092   0.943
  571   H2''   DT  17          H2''       DT  17  10.885  23.506  -0.145
  572    H1'   DT  17           H1'       DT  17  12.387  22.081  -1.344
  573    H3    DT  17           H3        DT  17  12.789  18.244   1.028
  574    H71   DT  17           H71       DT  17  12.856  21.046   4.974
  575    H72   DT  17           H72       DT  17  14.584  20.837   4.656
  576    H73   DT  17           H73       DT  17  13.810  22.416   4.366
  577    H6    DT  17           H6        DT  17  13.373  22.877   2.179
  578    H5'   DA  18           H5'       DA  18  10.477  22.488  -2.857
  579   H5''   DA  18          H5''       DA  18   9.155  23.078  -3.866
  580    H4'   DA  18           H4'       DA  18   8.421  21.000  -3.204
  581    H3'   DA  18           H3'       DA  18   7.022  23.175  -1.819
  582    H2'   DA  18           H2'       DA  18   7.483  22.360   0.235
  583   H2''   DA  18          H2''       DA  18   6.161  21.219  -0.114
  584    H1'   DA  18           H1'       DA  18   7.645  19.559  -0.883
  585    H8    DA  18           H8        DA  18   9.048  21.924   1.796
  586    H61   DA  18           H61       DA  18  10.838  16.481   4.433
  587    H62   DA  18           H62       DA  18  10.773  18.212   4.769
  588    H2    DA  18           H2        DA  18   9.358  15.636   0.526
  589    H5'   DT  19           H5'       DT  19   5.710  18.913  -2.346
  590   H5''   DT  19          H5''       DT  19   4.175  18.896  -3.215
  591    H4'   DT  19           H4'       DT  19   3.868  17.115  -1.737
  592    H3'   DT  19           H3'       DT  19   2.350  19.460  -1.054
  593    H2'   DT  19           H2'       DT  19   3.678  19.994   0.742
  594   H2''   DT  19          H2''       DT  19   2.498  18.942   1.574
  595    H1'   DT  19           H1'       DT  19   3.856  16.961   1.156
  596    H3    DT  19           H3        DT  19   6.862  16.487   4.452
  597    H71   DT  19           H71       DT  19   7.739  21.201   4.291
  598    H72   DT  19           H72       DT  19   6.465  21.789   3.204
  599    H73   DT  19           H73       DT  19   6.083  21.322   4.880
  600    H6    DT  19           H6        DT  19   5.366  20.241   1.835
  601    H5'   DA  20           H5'       DA  20  -1.495  15.775  -0.151
  602   H5''   DA  20          H5''       DA  20  -0.156  16.485   0.736
  603    H4'   DA  20           H4'       DA  20  -0.159  13.551  -0.065
  604    H3'   DA  20           H3'       DA  20  -2.031  14.767   1.595
  605    H2'   DA  20           H2'       DA  20  -0.577  15.698   3.091
  606   H2''   DA  20          H2''       DA  20  -0.728  14.143   3.913
  607    H1'   DA  20           H1'       DA  20   1.276  13.294   3.044
  608    H8    DA  20           H8        DA  20   1.519  17.089   2.236
  609    H61   DA  20           H61       DA  20   5.128  17.443   7.278
  610    H62   DA  20           H62       DA  20   4.339  18.398   6.021
  611    H2    DA  20           H2        DA  20   3.943  13.313   6.844
  612    H5'   DT  21           H5'       DT  21  -0.496  11.270   3.899
  613   H5''   DT  21          H5''       DT  21  -1.858  10.156   4.049
  614    H4'   DT  21           H4'       DT  21  -0.703   9.943   6.065
  615    H3'   DT  21           H3'       DT  21  -3.316  10.887   6.151
  616    H2'   DT  21           H2'       DT  21  -2.855  13.089   6.667
  617   H2''   DT  21          H2''       DT  21  -2.834  12.453   8.333
  618    H1'   DT  21           H1'       DT  21  -0.540  12.183   8.389
  619    H3    DT  21           H3        DT  21   1.944  15.913   8.702
  620    H71   DT  21           H71       DT  21  -0.315  17.582   4.761
  621    H72   DT  21           H72       DT  21  -1.904  16.785   4.917
  622    H73   DT  21           H73       DT  21  -1.432  18.086   6.034
  623    H6    DT  21           H6        DT  21  -1.744  14.676   5.832
  624    H5'   DG  22           H5'       DG  22  -1.328  10.051  10.260
  625   H5''   DG  22          H5''       DG  22  -2.451   9.223  11.359
  626    H4'   DG  22           H4'       DG  22  -1.311  10.834  12.642
  627    H3'   DG  22           H3'       DG  22  -4.148  11.199  12.275
  628    H2'   DG  22           H2'       DG  22  -3.868  13.246  11.221
  629   H2''   DG  22          H2''       DG  22  -3.781  13.858  12.894
  630    H1'   DG  22           H1'       DG  22  -1.383  13.614  12.939
  631    H8    DG  22           H8        DG  22  -2.916  14.474   9.529
  632    H1    DG  22           H1        DG  22   1.180  18.812  11.990
  633    H21   DG  22           H21       DG  22   1.342  16.548  14.569
  634    H22   DG  22           H22       DG  22   1.816  18.132  13.948
  635    H5'   DC  23           H5'       DC  23  -1.556  12.770  15.916
  636   H5''   DC  23          H5''       DC  23  -2.466  12.291  17.349
  637    H4'   DC  23           H4'       DC  23  -1.081  14.099  17.964
  638    H3'   DC  23           H3'       DC  23  -3.847  14.238  18.298
  639    H2'   DC  23           H2'       DC  23  -4.307  15.794  16.675
  640   H2''   DC  23          H2''       DC  23  -3.862  16.977  17.889
  641    H1'   DC  23           H1'       DC  23  -1.687  17.231  17.134
  642    H41   DC  23           H41       DC  23  -3.681  18.262  10.902
  643    H42   DC  23           H42       DC  23  -2.641  19.598  11.410
  644    H5    DC  23           H5        DC  23  -4.228  16.422  12.409
  645    H6    DC  23           H6        DC  23  -3.746  15.499  14.663
  646    H5'   DG  24           H5'       DG  24  -1.944  17.965  20.261
  647   H5''   DG  24          H5''       DG  24  -2.782  18.454  21.738
  648    H4'   DG  24           H4'       DG  24  -2.561  20.372  20.360
  649    H3'   DG  24           H3'       DG  24  -5.374  19.295  20.380
  650   HO3'   DG  24          H3T        DG  24  -5.664  21.210  21.662
  651    H2'   DG  24           H2'       DG  24  -5.977  20.562  18.623
  652   H2''   DG  24          H2''       DG  24  -5.127  22.003  19.237
  653    H1'   DG  24           H1'       DG  24  -3.195  21.539  18.105
  654    H8    DG  24           H8        DG  24  -5.461  18.692  16.885
  655    H1    DG  24           H1        DG  24  -3.840  23.163  12.514
  656    H21   DG  24           H21       DG  24  -2.169  24.524  15.217
  657    H22   DG  24           H22       DG  24  -2.641  24.722  13.528
  Start of MODEL   14
    1    H    ALA  79           H1       ALA  79  -1.935   6.553   9.023
    2    HA   ALA  79           HA       ALA  79   0.980   6.303   9.500
    3    HB1  ALA  79           HB1      ALA  79  -1.085   4.526   8.122
    4    HB2  ALA  79           HB2      ALA  79   0.677   4.222   8.123
    5    HB3  ALA  79           HB3      ALA  79  -0.245   4.156   9.639
    6    H    ARG  80           H        ARG  80   2.302   6.333   7.655
    7    HA   ARG  80           HA       ARG  80   1.753   8.361   5.709
    8    HB2  ARG  80           HB2      ARG  80   4.005   6.360   6.002
    9    HB3  ARG  80           HB3      ARG  80   3.982   7.599   4.740
   10    HG2  ARG  80           HG2      ARG  80   3.665   8.232   7.685
   11    HG3  ARG  80           HG3      ARG  80   5.228   8.243   6.854
   12    HD2  ARG  80           HD2      ARG  80   4.852  10.314   6.038
   13    HD3  ARG  80           HD3      ARG  80   3.311   9.817   5.358
   14    HE   ARG  80           HE       ARG  80   2.190  10.811   7.124
   15   HH11  ARG  80          HH12      ARG  80   5.588  10.537   8.109
   16   HH12  ARG  80          HH11      ARG  80   5.341  11.793   9.299
   17   HH21  ARG  80          HH21      ARG  80   2.075  12.283   8.924
   18   HH22  ARG  80          HH22      ARG  80   3.563  12.592   9.760
   19    H    LYS  81           H        LYS  81  -0.360   7.193   5.146
   20    HA   LYS  81           HA       LYS  81  -0.668   5.090   3.311
   21    HB2  LYS  81           HB2      LYS  81  -2.195   7.677   3.880
   22    HB3  LYS  81           HB3      LYS  81  -2.795   6.440   2.779
   23    HG2  LYS  81           HG2      LYS  81  -3.288   4.933   4.445
   24    HG3  LYS  81           HG3      LYS  81  -2.054   5.549   5.566
   25    HD2  LYS  81           HD2      LYS  81  -3.341   7.487   6.115
   26    HD3  LYS  81           HD3      LYS  81  -4.552   7.146   4.864
   27    HE2  LYS  81           HE2      LYS  81  -5.317   5.153   5.982
   28    HE3  LYS  81           HE3      LYS  81  -3.955   5.182   7.116
   29    HZ1  LYS  81           HZ1      LYS  81  -6.006   6.061   8.130
   30    HZ2  LYS  81           HZ2      LYS  81  -4.826   7.197   8.111
   31    HZ3  LYS  81           HZ3      LYS  81  -6.067   7.283   7.037
   32    H    VAL  82           H        VAL  82  -0.525   4.947   1.308
   33    HA   VAL  82           HA       VAL  82   0.734   6.929  -0.456
   34    HB   VAL  82           HB       VAL  82  -0.545   4.223  -1.069
   35   HG11  VAL  82          HG11      VAL  82   0.999   6.144  -2.858
   36   HG12  VAL  82          HG12      VAL  82   0.863   4.404  -3.195
   37   HG13  VAL  82          HG13      VAL  82  -0.600   5.380  -3.104
   38   HG21  VAL  82          HG21      VAL  82   2.384   4.968  -0.821
   39   HG22  VAL  82          HG22      VAL  82   1.420   4.106   0.417
   40   HG23  VAL  82          HG23      VAL  82   1.713   3.364  -1.168
   41    H    LYS  83           H        LYS  83  -0.297   8.364  -1.735
   42    HA   LYS  83           HA       LYS  83  -3.084   7.787  -2.507
   43    HB2  LYS  83           HB2      LYS  83  -2.107  10.183  -1.325
   44    HB3  LYS  83           HB3      LYS  83  -2.416  10.551  -3.053
   45    HG2  LYS  83           HG2      LYS  83  -4.669   9.936  -2.895
   46    HG3  LYS  83           HG3      LYS  83  -4.436   9.053  -1.386
   47    HD2  LYS  83           HD2      LYS  83  -5.553  11.271  -1.129
   48    HD3  LYS  83           HD3      LYS  83  -4.093  10.906  -0.135
   49    HE2  LYS  83           HE2      LYS  83  -2.739  12.338  -1.604
   50    HE3  LYS  83           HE3      LYS  83  -4.188  12.783  -2.518
   51    HZ1  LYS  83           HZ1      LYS  83  -3.706  14.416  -0.895
   52    HZ2  LYS  83           HZ2      LYS  83  -5.079  13.679  -0.399
   53    HZ3  LYS  83           HZ3      LYS  83  -3.680  13.300   0.374
   54    H    GLN  84           H        GLN  84  -3.426   7.346  -4.515
   55    HA   GLN  84           HA       GLN  84  -1.286   7.543  -6.499
   56    HB2  GLN  84           HB2      GLN  84  -2.260   5.561  -7.032
   57    HB3  GLN  84           HB3      GLN  84  -3.759   5.925  -6.161
   58    HG2  GLN  84           HG2      GLN  84  -4.586   7.180  -8.042
   59    HG3  GLN  84           HG3      GLN  84  -3.063   6.929  -8.946
   60   HE21  GLN  84          HE22      GLN  84  -2.453   4.519  -9.327
   61   HE22  GLN  84          HE21      GLN  84  -3.806   3.437  -9.611
   62    H    TYR  85           H        TYR  85  -1.567   8.888  -8.219
   63    HA   TYR  85           HA       TYR  85  -3.874  10.798  -8.227
   64    HB2  TYR  85           HB2      TYR  85  -0.982  11.575  -8.777
   65    HB3  TYR  85           HB3      TYR  85  -2.387  12.631  -8.806
   66    HD1  TYR  85           HD1      TYR  85  -3.453  13.410  -6.780
   67    HD2  TYR  85           HD2      TYR  85   0.071  10.940  -6.644
   68    HE1  TYR  85           HE1      TYR  85  -3.047  14.157  -4.438
   69    HE2  TYR  85           HE2      TYR  85   0.485  11.651  -4.302
   70    HH   TYR  85           HH       TYR  85  -0.168  13.044  -2.596
   71    H    LYS  86           H        LYS  86  -4.719  11.110 -10.286
   72    HA   LYS  86           HA       LYS  86  -3.259   9.977 -12.641
   73    HB2  LYS  86           HB2      LYS  86  -4.850   8.303 -11.940
   74    HB3  LYS  86           HB3      LYS  86  -6.146   9.493 -11.778
   75    HG2  LYS  86           HG2      LYS  86  -6.266   9.854 -14.155
   76    HG3  LYS  86           HG3      LYS  86  -4.760   8.971 -14.439
   77    HD2  LYS  86           HD2      LYS  86  -5.851   6.877 -13.576
   78    HD3  LYS  86           HD3      LYS  86  -7.375   7.781 -13.406
   79    HE2  LYS  86           HE2      LYS  86  -7.286   8.307 -15.866
   80    HE3  LYS  86           HE3      LYS  86  -5.799   7.357 -15.996
   81    HZ1  LYS  86           HZ1      LYS  86  -8.458   6.280 -15.168
   82    HZ2  LYS  86           HZ2      LYS  86  -7.754   6.034 -16.617
   83    HZ3  LYS  86           HZ3      LYS  86  -7.091   5.390 -15.276
   84    H    ASN  87           H        ASN  87  -3.170  11.316 -14.321
   85    HA   ASN  87           HA       ASN  87  -4.417  13.960 -13.983
   86    HB2  ASN  87           HB2      ASN  87  -2.039  13.683 -14.290
   87    HB3  ASN  87           HB3      ASN  87  -2.282  12.962 -15.875
   88   HD21  ASN  87          HD22      ASN  87  -0.802  15.405 -15.115
   89   HD22  ASN  87          HD21      ASN  87  -1.617  16.724 -15.957
   90    HA   PRO  88           HA       PRO  88  -7.507  12.609 -17.037
   91    HB2  PRO  88           HB2      PRO  88  -9.155  14.827 -16.917
   92    HB3  PRO  88           HB3      PRO  88  -9.166  13.477 -15.746
   93    HG2  PRO  88           HG2      PRO  88  -7.768  16.151 -15.490
   94    HG3  PRO  88           HG3      PRO  88  -8.749  15.285 -14.259
   95    HD2  PRO  88           HD2      PRO  88  -6.055  15.193 -14.263
   96    HD3  PRO  88           HD3      PRO  88  -7.033  13.758 -13.820
   97    H    HIS  89           H        HIS  89  -5.367  15.352 -17.268
   98    HA   HIS  89           HA       HIS  89  -6.172  16.029 -20.032
   99    HB2  HIS  89           HB2      HIS  89  -3.910  17.147 -18.327
  100    HB3  HIS  89           HB3      HIS  89  -4.513  17.805 -19.843
  101    HD1  HIS  89           HD1      HIS  89  -7.132  18.788 -19.726
  102    HD2  HIS  89           HD2      HIS  89  -5.129  17.906 -16.109
  103    HE1  HIS  89           HE1      HIS  89  -8.442  19.992 -17.860
  104    HE2  HIS  89           HE2      HIS  89  -7.213  19.463 -15.664
  105    H    THR  90           H        THR  90  -3.754  14.005 -18.501
  106    HA   THR  90           HA       THR  90  -2.344  13.646 -21.135
  107    HB   THR  90           HB       THR  90  -0.295  13.357 -19.924
  108    HG1  THR  90           HG1      THR  90  -0.288  13.591 -17.659
  109   HG21  THR  90          HG21      THR  90  -1.688  15.753 -18.674
  110   HG22  THR  90          HG22      THR  90   0.060  15.518 -18.928
  111   HG23  THR  90          HG23      THR  90  -1.010  15.741 -20.322
  112    H    GLY  91           H        GLY  91  -3.866  11.899 -18.488
  113    HA2  GLY  91           HA2      GLY  91  -4.318   9.640 -18.297
  114    HA3  GLY  91           HA3      GLY  91  -3.464   9.315 -19.811
  115    H    GLU  92           H        GLU  92  -1.551  11.129 -17.536
  116    HA   GLU  92           HA       GLU  92   0.243   8.928 -16.939
  117    HB2  GLU  92           HB2      GLU  92   0.073  11.832 -16.066
  118    HB3  GLU  92           HB3      GLU  92   1.334  10.698 -15.548
  119    HG2  GLU  92           HG2      GLU  92   2.187  10.466 -17.759
  120    HG3  GLU  92           HG3      GLU  92   0.911  11.500 -18.436
  121    H    VAL  93           H        VAL  93   0.424   8.048 -14.974
  122    HA   VAL  93           HA       VAL  93  -1.279   8.863 -12.680
  123    HB   VAL  93           HB       VAL  93  -0.528   6.060 -13.445
  124   HG11  VAL  93          HG11      VAL  93  -1.000   6.185 -11.018
  125   HG12  VAL  93          HG12      VAL  93  -2.506   7.075 -11.333
  126   HG13  VAL  93          HG13      VAL  93  -2.339   5.380 -11.814
  127   HG21  VAL  93          HG21      VAL  93  -3.172   7.512 -13.842
  128   HG22  VAL  93          HG22      VAL  93  -2.122   6.865 -15.114
  129   HG23  VAL  93          HG23      VAL  93  -2.970   5.752 -14.030
  130    H    ILE  94           H        ILE  94  -0.422   8.414 -10.690
  131    HA   ILE  94           HA       ILE  94   2.398   7.663 -10.301
  132    HB   ILE  94           HB       ILE  94   1.829   9.906  -8.570
  133   HG12  ILE  94          HG12      ILE  94   1.834  10.801 -11.480
  134   HG13  ILE  94          HG13      ILE  94   0.430  10.819 -10.398
  135   HG21  ILE  94          HG21      ILE  94   4.009  10.611  -9.142
  136   HG22  ILE  94          HG22      ILE  94   4.062   8.858  -9.163
  137   HG23  ILE  94          HG23      ILE  94   3.970   9.754 -10.708
  138   HD11  ILE  94          HD11      ILE  94   2.977  12.415 -10.059
  139   HD12  ILE  94          HD12      ILE  94   1.342  13.024 -10.357
  140   HD13  ILE  94          HD13      ILE  94   1.728  12.247  -8.803
  141    H    GLU  95           H        GLU  95   2.852   7.555  -7.977
  142    HA   GLU  95           HA       GLU  95   0.671   7.262  -6.019
  143    HB2  GLU  95           HB2      GLU  95   2.518   5.074  -6.997
  144    HB3  GLU  95           HB3      GLU  95   1.914   5.064  -5.315
  145    HG2  GLU  95           HG2      GLU  95  -0.363   4.989  -6.037
  146    HG3  GLU  95           HG3      GLU  95   0.097   5.152  -7.740
  147    H    THR  96           H        THR  96   1.365   8.424  -4.306
  148    HA   THR  96           HA       THR  96   4.183   8.222  -3.391
  149    HB   THR  96           HB       THR  96   4.815  10.354  -3.672
  150    HG1  THR  96           HG1      THR  96   3.431  12.137  -3.471
  151   HG21  THR  96          HG21      THR  96   3.953  11.568  -5.637
  152   HG22  THR  96          HG22      THR  96   4.126   9.859  -6.032
  153   HG23  THR  96          HG23      THR  96   2.511  10.524  -5.665
  154    H    LYS  97           H        LYS  97   4.465   8.834  -1.162
  155    HA   LYS  97           HA       LYS  97   1.944   8.845   0.455
  156    HB2  LYS  97           HB2      LYS  97   4.804   8.644   1.359
  157    HB3  LYS  97           HB3      LYS  97   3.384   8.296   2.330
  158    HG2  LYS  97           HG2      LYS  97   2.908   6.284   1.075
  159    HG3  LYS  97           HG3      LYS  97   4.122   6.670  -0.145
  160    HD2  LYS  97           HD2      LYS  97   5.860   6.587   1.774
  161    HD3  LYS  97           HD3      LYS  97   4.590   5.833   2.725
  162    HE2  LYS  97           HE2      LYS  97   5.936   4.089   1.815
  163    HE3  LYS  97           HE3      LYS  97   4.408   4.049   0.933
  164    HZ1  LYS  97           HZ1      LYS  97   5.532   5.222  -0.912
  165    HZ2  LYS  97           HZ2      LYS  97   6.909   5.383  -0.066
  166    HZ3  LYS  97           HZ3      LYS  97   6.412   3.889  -0.533
  167    H    GLY  98           H        GLY  98   3.531  11.142  -1.059
  168    HA2  GLY  98           HA2      GLY  98   2.854  13.469  -0.392
  169    HA3  GLY  98           HA3      GLY  98   3.704  13.159   1.131
  170    H    GLY  99           H        GLY  99   4.836  15.073   0.539
  171    HA2  GLY  99           HA2      GLY  99   6.831  16.027   0.209
  172    HA3  GLY  99           HA3      GLY  99   7.452  14.467  -0.299
  173    H    ASN 100           H        ASN 100   8.522  16.648  -1.230
  174    HA   ASN 100           HA       ASN 100   7.900  17.562  -3.841
  175    HB2  ASN 100           HB2      ASN 100   9.563  18.688  -2.575
  176    HB3  ASN 100           HB3      ASN 100  10.338  17.205  -2.106
  177   HD21  ASN 100          HD22      ASN 100  12.206  18.536  -2.577
  178   HD22  ASN 100          HD21      ASN 100  12.918  18.167  -4.131
  179    H    HIS 101           H        HIS 101   7.172  16.069  -5.269
  180    HA   HIS 101           HA       HIS 101   9.025  13.901  -6.156
  181    HB2  HIS 101           HB2      HIS 101   7.093  13.057  -4.771
  182    HB3  HIS 101           HB3      HIS 101   5.992  13.665  -6.003
  183    HD1  HIS 101           HD1      HIS 101   8.907  11.048  -5.644
  184    HD2  HIS 101           HD2      HIS 101   5.622  12.101  -8.117
  185    HE1  HIS 101           HE1      HIS 101   8.650   9.170  -7.354
  186    HE2  HIS 101           HE2      HIS 101   6.681   9.797  -8.875
  187    H    LYS 102           H        LYS 102   9.538  14.057  -8.279
  188    HA   LYS 102           HA       LYS 102   9.236  16.343  -9.721
  189    HB2  LYS 102           HB2      LYS 102  10.842  14.494 -10.059
  190    HB3  LYS 102           HB3      LYS 102   9.645  13.703 -11.103
  191    HG2  LYS 102           HG2      LYS 102   9.544  15.718 -12.543
  192    HG3  LYS 102           HG3      LYS 102  10.621  16.593 -11.449
  193    HD2  LYS 102           HD2      LYS 102  11.352  14.097 -12.997
  194    HD3  LYS 102           HD3      LYS 102  11.720  15.766 -13.488
  195    HE2  LYS 102           HE2      LYS 102  13.044  16.073 -11.393
  196    HE3  LYS 102           HE3      LYS 102  12.733  14.391 -10.955
  197    HZ1  LYS 102           HZ1      LYS 102  13.910  13.726 -13.005
  198    HZ2  LYS 102           HZ2      LYS 102  14.274  15.296 -13.332
  199    HZ3  LYS 102           HZ3      LYS 102  14.860  14.575 -11.972
  200    H    THR 103           H        THR 103   7.372  13.510 -10.999
  201    HA   THR 103           HA       THR 103   5.923  15.061 -12.833
  202    HB   THR 103           HB       THR 103   4.906  12.518 -11.532
  203    HG1  THR 103           HG1      THR 103   6.030  11.541 -13.292
  204   HG21  THR 103          HG21      THR 103   3.917  12.273 -13.928
  205   HG22  THR 103          HG22      THR 103   3.179  13.469 -12.852
  206   HG23  THR 103          HG23      THR 103   4.299  14.011 -14.109
  207    H    LEU 104           H        LEU 104   5.027  14.275  -9.495
  208    HA   LEU 104           HA       LEU 104   2.405  15.385  -9.496
  209    HB2  LEU 104           HB2      LEU 104   3.391  13.802  -7.813
  210    HB3  LEU 104           HB3      LEU 104   4.443  15.100  -7.242
  211    HG   LEU 104           HG       LEU 104   2.503  16.362  -6.433
  212   HD11  LEU 104          HD11      LEU 104   0.268  15.260  -6.355
  213   HD12  LEU 104          HD12      LEU 104   0.769  15.578  -8.028
  214   HD13  LEU 104          HD13      LEU 104   0.879  13.939  -7.354
  215   HD21  LEU 104          HD21      LEU 104   1.897  14.853  -4.599
  216   HD22  LEU 104          HD22      LEU 104   2.482  13.455  -5.514
  217   HD23  LEU 104          HD23      LEU 104   3.622  14.713  -4.960
  218    H    LYS 105           H        LYS 105   5.599  16.898  -8.964
  219    HA   LYS 105           HA       LYS 105   4.526  19.531  -8.289
  220    HB2  LYS 105           HB2      LYS 105   7.276  18.526  -9.131
  221    HB3  LYS 105           HB3      LYS 105   6.959  20.225  -8.893
  222    HG2  LYS 105           HG2      LYS 105   6.630  18.059  -6.769
  223    HG3  LYS 105           HG3      LYS 105   8.004  19.147  -6.933
  224    HD2  LYS 105           HD2      LYS 105   5.167  19.889  -6.118
  225    HD3  LYS 105           HD3      LYS 105   6.627  19.945  -5.143
  226    HE2  LYS 105           HE2      LYS 105   7.556  21.711  -6.714
  227    HE3  LYS 105           HE3      LYS 105   6.011  21.699  -7.571
  228    HZ1  LYS 105           HZ1      LYS 105   4.958  22.280  -5.356
  229    HZ2  LYS 105           HZ2      LYS 105   6.436  22.494  -4.735
  230    HZ3  LYS 105           HZ3      LYS 105   5.946  23.473  -5.962
  231    H    GLU 106           H        GLU 106   5.312  17.957 -11.398
  232    HA   GLU 106           HA       GLU 106   5.186  20.424 -12.882
  233    HB2  GLU 106           HB2      GLU 106   4.480  17.680 -13.958
  234    HB3  GLU 106           HB3      GLU 106   5.029  19.110 -14.860
  235    HG2  GLU 106           HG2      GLU 106   7.183  18.883 -13.426
  236    HG3  GLU 106           HG3      GLU 106   6.508  17.294 -13.001
  237    H    TRP 107           H        TRP 107   2.883  17.852 -12.150
  238    HA   TRP 107           HA       TRP 107   0.647  18.983 -13.502
  239    HB2  TRP 107           HB2      TRP 107   0.617  17.334 -10.960
  240    HB3  TRP 107           HB3      TRP 107  -0.773  17.678 -11.987
  241    HD1  TRP 107           HD1      TRP 107   1.957  16.818 -14.310
  242    HE1  TRP 107           HE1      TRP 107   1.741  14.360 -15.060
  243    HE3  TRP 107           HE3      TRP 107  -1.512  15.186 -10.908
  244    HZ2  TRP 107           HZ2      TRP 107   0.715  11.938 -13.936
  245    HZ3  TRP 107           HZ3      TRP 107  -2.234  12.811 -10.939
  246    HH2  TRP 107           HH2      TRP 107  -1.065  11.161 -12.400
  247    H    LYS 108           H        LYS 108   1.818  19.707 -10.216
  248    HA   LYS 108           HA       LYS 108  -0.314  21.549  -9.540
  249    HB2  LYS 108           HB2      LYS 108   2.582  21.404  -8.585
  250    HB3  LYS 108           HB3      LYS 108   1.377  22.532  -7.950
  251    HG2  LYS 108           HG2      LYS 108  -0.092  20.596  -7.366
  252    HG3  LYS 108           HG3      LYS 108   1.194  19.501  -7.867
  253    HD2  LYS 108           HD2      LYS 108   2.735  20.647  -6.232
  254    HD3  LYS 108           HD3      LYS 108   1.353  21.612  -5.672
  255    HE2  LYS 108           HE2      LYS 108   0.142  19.385  -5.201
  256    HE3  LYS 108           HE3      LYS 108   1.653  18.571  -5.618
  257    HZ1  LYS 108           HZ1      LYS 108   1.755  18.800  -3.350
  258    HZ2  LYS 108           HZ2      LYS 108   2.689  20.086  -3.844
  259    HZ3  LYS 108           HZ3      LYS 108   1.166  20.347  -3.307
  260    H    ALA 109           H        ALA 109   2.756  21.980 -11.352
  261    HA   ALA 109           HA       ALA 109   2.645  24.833 -11.491
  262    HB1  ALA 109           HB1      ALA 109   4.667  23.356 -11.950
  263    HB2  ALA 109           HB2      ALA 109   3.899  22.876 -13.483
  264    HB3  ALA 109           HB3      ALA 109   4.329  24.566 -13.228
  265    H    LYS 110           H        LYS 110   1.736  22.236 -13.724
  266    HA   LYS 110           HA       LYS 110   0.888  23.870 -15.744
  267    HB2  LYS 110           HB2      LYS 110   0.684  20.920 -15.187
  268    HB3  LYS 110           HB3      LYS 110  -0.010  21.597 -16.673
  269    HG2  LYS 110           HG2      LYS 110   2.205  22.565 -17.263
  270    HG3  LYS 110           HG3      LYS 110   2.901  21.876 -15.797
  271    HD2  LYS 110           HD2      LYS 110   3.518  20.369 -17.513
  272    HD3  LYS 110           HD3      LYS 110   2.198  19.586 -16.656
  273    HE2  LYS 110           HE2      LYS 110   1.698  19.239 -18.936
  274    HE3  LYS 110           HE3      LYS 110   0.625  20.560 -18.453
  275    HZ1  LYS 110           HZ1      LYS 110   2.201  22.128 -19.500
  276    HZ2  LYS 110           HZ2      LYS 110   3.202  20.902 -19.919
  277    HZ3  LYS 110           HZ3      LYS 110   1.723  21.013 -20.587
  278    H    TRP 111           H        TRP 111  -1.041  22.285 -13.244
  279    HA   TRP 111           HA       TRP 111  -3.527  23.611 -14.297
  280    HB2  TRP 111           HB2      TRP 111  -3.330  20.793 -13.198
  281    HB3  TRP 111           HB3      TRP 111  -4.801  21.608 -13.700
  282    HD1  TRP 111           HD1      TRP 111  -5.051  22.145 -16.376
  283    HE1  TRP 111           HE1      TRP 111  -4.113  20.960 -18.445
  284    HE3  TRP 111           HE3      TRP 111  -1.411  19.395 -14.117
  285    HZ2  TRP 111           HZ2      TRP 111  -1.976  19.094 -19.056
  286    HZ3  TRP 111           HZ3      TRP 111   0.167  18.010 -15.486
  287    HH2  TRP 111           HH2      TRP 111  -0.137  17.808 -17.921
  288    H    GLY 112           H        GLY 112  -2.199  22.050 -11.300
  289    HA2  GLY 112           HA2      GLY 112  -2.026  24.000  -9.587
  290    HA3  GLY 112           HA3      GLY 112  -3.777  24.028  -9.659
  291    HA   PRO 113           HA       PRO 113  -2.060  20.768  -6.575
  292    HB2  PRO 113           HB2      PRO 113  -2.352  22.147  -4.174
  293    HB3  PRO 113           HB3      PRO 113  -0.845  22.002  -5.107
  294    HG2  PRO 113           HG2      PRO 113  -2.830  24.268  -5.107
  295    HG3  PRO 113           HG3      PRO 113  -1.035  24.346  -5.083
  296    HD2  PRO 113           HD2      PRO 113  -2.468  24.742  -7.353
  297    HD3  PRO 113           HD3      PRO 113  -0.898  23.878  -7.380
  298    H    GLU 114           H        GLU 114  -4.811  23.041  -6.341
  299    HA   GLU 114           HA       GLU 114  -6.546  21.471  -4.719
  300    HB2  GLU 114           HB2      GLU 114  -7.402  23.212  -7.047
  301    HB3  GLU 114           HB3      GLU 114  -8.271  22.823  -5.538
  302    HG2  GLU 114           HG2      GLU 114  -6.441  24.097  -4.307
  303    HG3  GLU 114           HG3      GLU 114  -5.839  24.582  -5.902
  304    H    ALA 115           H        ALA 115  -6.121  21.696  -8.180
  305    HA   ALA 115           HA       ALA 115  -8.036  19.809  -9.069
  306    HB1  ALA 115           HB1      ALA 115  -6.699  21.551 -10.411
  307    HB2  ALA 115           HB2      ALA 115  -5.349  20.363 -10.415
  308    HB3  ALA 115           HB3      ALA 115  -6.891  19.945 -11.172
  309    H    VAL 116           H        VAL 116  -4.534  19.527  -8.621
  310    HA   VAL 116           HA       VAL 116  -4.185  16.905  -9.213
  311    HB   VAL 116           HB       VAL 116  -2.669  18.862  -7.492
  312   HG11  VAL 116          HG11      VAL 116  -0.689  17.462  -7.547
  313   HG12  VAL 116          HG12      VAL 116  -1.957  16.711  -6.584
  314   HG13  VAL 116          HG13      VAL 116  -1.642  16.108  -8.226
  315   HG21  VAL 116          HG21      VAL 116  -2.070  17.582 -10.181
  316   HG22  VAL 116          HG22      VAL 116  -2.907  19.128 -10.015
  317   HG23  VAL 116          HG23      VAL 116  -1.229  18.973  -9.443
  318    H    GLU 117           H        GLU 117  -4.782  18.252  -5.933
  319    HA   GLU 117           HA       GLU 117  -4.793  15.708  -4.533
  320    HB2  GLU 117           HB2      GLU 117  -5.986  18.486  -4.037
  321    HB3  GLU 117           HB3      GLU 117  -6.289  17.171  -2.920
  322    HG2  GLU 117           HG2      GLU 117  -3.441  17.913  -3.639
  323    HG3  GLU 117           HG3      GLU 117  -4.363  18.841  -2.450
  324    H    SER 118           H        SER 118  -7.320  17.554  -6.275
  325    HA   SER 118           HA       SER 118  -9.545  15.982  -5.285
  326    HB2  SER 118           HB2      SER 118  -9.360  17.648  -7.828
  327    HB3  SER 118           HB3      SER 118 -10.834  16.975  -7.121
  328    HG   SER 118           HG       SER 118  -9.108  18.957  -6.046
  329    H    TRP 119           H        TRP 119  -7.328  15.594  -8.014
  330    HA   TRP 119           HA       TRP 119  -8.723  13.355  -9.208
  331    HB2  TRP 119           HB2      TRP 119  -5.779  14.028  -9.423
  332    HB3  TRP 119           HB3      TRP 119  -6.768  13.079 -10.523
  333    HD1  TRP 119           HD1      TRP 119  -9.111  15.485 -10.594
  334    HE1  TRP 119           HE1      TRP 119  -8.665  17.483 -12.137
  335    HE3  TRP 119           HE3      TRP 119  -4.072  14.888 -11.248
  336    HZ2  TRP 119           HZ2      TRP 119  -6.392  18.719 -13.425
  337    HZ3  TRP 119           HZ3      TRP 119  -2.798  16.470 -12.698
  338    HH2  TRP 119           HH2      TRP 119  -3.945  18.377 -13.779
  339    H    ALA 120           H        ALA 120  -6.941  13.463  -6.212
  340    HA   ALA 120           HA       ALA 120  -5.497  11.080  -6.596
  341    HB1  ALA 120           HB1      ALA 120  -5.151  13.046  -4.859
  342    HB2  ALA 120           HB2      ALA 120  -6.129  11.992  -3.801
  343    HB3  ALA 120           HB3      ALA 120  -4.624  11.378  -4.513
  344    H    THR 121           H        THR 121  -5.541   9.393  -5.192
  345    HA   THR 121           HA       THR 121  -8.113   7.969  -4.443
  346    HB   THR 121           HB       THR 121  -5.841   6.979  -6.179
  347    HG1  THR 121           HG1      THR 121  -8.566   7.468  -6.877
  348   HG21  THR 121          HG21      THR 121  -8.385   5.725  -5.066
  349   HG22  THR 121          HG22      THR 121  -7.528   5.008  -6.468
  350   HG23  THR 121          HG23      THR 121  -6.717   5.119  -4.892
  351    H    LEU 122           H        LEU 122  -7.829   6.725  -2.629
  352    HA   LEU 122           HA       LEU 122  -5.166   6.950  -1.287
  353    HB2  LEU 122           HB2      LEU 122  -7.407   7.939  -0.419
  354    HB3  LEU 122           HB3      LEU 122  -7.773   6.290   0.075
  355    HG   LEU 122           HG       LEU 122  -5.308   7.919   0.897
  356   HD11  LEU 122          HD11      LEU 122  -7.442   8.788   1.821
  357   HD12  LEU 122          HD12      LEU 122  -7.813   7.179   2.483
  358   HD13  LEU 122          HD13      LEU 122  -6.418   8.108   3.091
  359   HD21  LEU 122          HD21      LEU 122  -4.641   5.674   1.136
  360   HD22  LEU 122          HD22      LEU 122  -5.176   6.131   2.743
  361   HD23  LEU 122          HD23      LEU 122  -6.247   5.154   1.727
  362    H    LEU 123           H        LEU 123  -3.962   5.294  -1.026
  363    HA   LEU 123           HA       LEU 123  -4.959   2.529  -1.522
  364    HB2  LEU 123           HB2      LEU 123  -2.339   3.890  -2.303
  365    HB3  LEU 123           HB3      LEU 123  -2.729   2.193  -2.575
  366    HG   LEU 123           HG       LEU 123  -4.142   4.615  -3.799
  367   HD11  LEU 123          HD11      LEU 123  -1.910   4.207  -4.668
  368   HD12  LEU 123          HD12      LEU 123  -2.261   2.487  -4.915
  369   HD13  LEU 123          HD13      LEU 123  -3.108   3.696  -5.887
  370   HD21  LEU 123          HD21      LEU 123  -5.284   2.944  -5.252
  371   HD22  LEU 123          HD22      LEU 123  -4.590   1.626  -4.278
  372   HD23  LEU 123          HD23      LEU 123  -5.753   2.753  -3.561
  373    H    GLY 124           H        GLY 124  -4.724   1.172   0.010
  374    HA2  GLY 124           HA2      GLY 124  -3.522   1.822   2.534
  375    HA3  GLY 124           HA3      GLY 124  -4.247   0.276   2.081
  376    H    HIS 125           H        HIS 125  -2.155   0.213  -0.226
  377    HA   HIS 125           HA       HIS 125   0.416  -0.164   1.110
  378    HB2  HIS 125           HB2      HIS 125   0.619  -2.553   0.415
  379    HB3  HIS 125           HB3      HIS 125  -0.530  -2.269   1.714
  380    HD1  HIS 125           HD1      HIS 125  -1.427  -1.876  -2.013
  381    HD2  HIS 125           HD2      HIS 125  -2.084  -4.372   1.322
  382    HE1  HIS 125           HE1      HIS 125  -3.257  -3.592  -2.728
  383    HE2  HIS 125           HE2      HIS 125  -3.652  -5.091  -0.666
  384    H5'   DC   1           H5'       DC   1  -5.045  29.358   7.017
  385   H5''   DC   1          H5''       DC   1  -3.611  30.130   6.350
  386    H4'   DC   1           H4'       DC   1  -3.423  30.074   8.734
  387    H3'   DC   1           H3'       DC   1  -1.505  28.941   7.039
  388    H2'   DC   1           H2'       DC   1  -1.682  26.777   7.601
  389   H2''   DC   1          H2''       DC   1  -0.749  27.182   9.033
  390    H1'   DC   1           H1'       DC   1  -2.561  27.399  10.425
  391    H41   DC   1           H41       DC   1  -5.337  21.728   8.415
  392    H42   DC   1           H42       DC   1  -5.273  21.747  10.184
  393    H5    DC   1           H5        DC   1  -4.461  23.625   7.071
  394    H6    DC   1           H6        DC   1  -3.503  25.843   7.255
  395   HO5'   DC   1          H5T        DC   1  -4.226  28.235   5.135
  396    H5'   DG   2           H5'       DG   2  -0.361  29.221  11.688
  397   H5''   DG   2          H5''       DG   2   1.192  30.055  11.760
  398    H4'   DG   2           H4'       DG   2   1.239  28.556  13.538
  399    H3'   DG   2           H3'       DG   2   3.144  28.215  11.499
  400    H2'   DG   2           H2'       DG   2   2.172  26.301  10.618
  401   H2''   DG   2          H2''       DG   2   3.218  25.506  11.804
  402    H1'   DG   2           H1'       DG   2   1.491  25.373  13.435
  403    H8    DG   2           H8        DG   2   0.317  25.479   9.794
  404    H1    DG   2           H1        DG   2  -1.798  20.420  13.183
  405    H21   DG   2           H21       DG   2   0.005  21.884  15.717
  406    H22   DG   2           H22       DG   2  -1.008  20.534  15.198
  407    H5'   DC   3           H5'       DC   3   3.601  25.745  15.514
  408   H5''   DC   3          H5''       DC   3   5.289  25.748  16.020
  409    H4'   DC   3           H4'       DC   3   4.278  23.678  16.679
  410    H3'   DC   3           H3'       DC   3   6.496  23.683  14.791
  411    H2'   DC   3           H2'       DC   3   5.702  22.142  13.351
  412   H2''   DC   3          H2''       DC   3   5.691  20.938  14.647
  413    H1'   DC   3           H1'       DC   3   3.485  21.190  15.130
  414    H41   DC   3           H41       DC   3   1.304  21.720   8.895
  415    H42   DC   3           H42       DC   3   0.674  20.238   9.627
  416    H5    DC   3           H5        DC   3   2.931  23.132  10.081
  417    H6    DC   3           H6        DC   3   4.028  23.454  12.279
  418    H5'   DA   4           H5'       DA   4   5.830  19.925  17.217
  419   H5''   DA   4          H5''       DA   4   7.301  19.248  17.929
  420    H4'   DA   4           H4'       DA   4   5.996  17.456  17.116
  421    H3'   DA   4           H3'       DA   4   8.604  17.919  15.968
  422    H2'   DA   4           H2'       DA   4   7.824  18.157  13.833
  423   H2''   DA   4          H2''       DA   4   7.794  16.392  13.809
  424    H1'   DA   4           H1'       DA   4   5.492  16.288  14.475
  425    H8    DA   4           H8        DA   4   6.514  19.548  12.759
  426    H61   DA   4           H61       DA   4   2.138  18.005   8.551
  427    H62   DA   4           H62       DA   4   3.232  19.284   9.043
  428    H2    DA   4           H2        DA   4   2.417  14.770  11.438
  429    H5'   DT   5           H5'       DT   5   6.840  13.657  15.459
  430   H5''   DT   5          H5''       DT   5   8.063  12.425  15.808
  431    H4'   DT   5           H4'       DT   5   6.783  11.690  13.935
  432    H3'   DT   5           H3'       DT   5   9.595  12.055  13.705
  433    H2'   DT   5           H2'       DT   5   9.477  13.757  12.162
  434   H2''   DT   5          H2''       DT   5   9.309  12.422  10.997
  435    H1'   DT   5           H1'       DT   5   6.941  12.458  11.089
  436    H3    DT   5           H3        DT   5   5.105  15.661   8.509
  437    H71   DT   5           H71       DT   5   9.116  18.207   9.358
  438    H72   DT   5           H72       DT   5   8.063  18.854  10.610
  439    H73   DT   5           H73       DT   5   9.430  17.814  11.065
  440    H6    DT   5           H6        DT   5   8.832  15.649  11.585
  441    H5'   DA   6           H5'       DA   6   7.246   9.004  10.779
  442   H5''   DA   6          H5''       DA   6   8.309   7.605  10.688
  443    H4'   DA   6           H4'       DA   6   7.010   7.668   8.719
  444    H3'   DA   6           H3'       DA   6   9.782   7.572   8.541
  445    H2'   DA   6           H2'       DA   6  10.157   9.758   7.959
  446   H2''   DA   6          H2''       DA   6   9.869   9.193   6.331
  447    H1'   DA   6           H1'       DA   6   7.672   9.951   6.252
  448    H8    DA   6           H8        DA   6   9.875  11.629   8.918
  449    H61   DA   6           H61       DA   6   7.961  16.908   6.164
  450    H62   DA   6           H62       DA   6   9.123  16.255   7.315
  451    H2    DA   6           H2        DA   6   5.690  13.623   4.457
  452    H5'   DT   7           H5'       DT   7   6.963   7.727   5.130
  453   H5''   DT   7          H5''       DT   7   7.224   6.581   3.811
  454    H4'   DT   7           H4'       DT   7   6.223   8.653   3.013
  455    H3'   DT   7           H3'       DT   7   8.569   7.527   1.884
  456    H2'   DT   7           H2'       DT   7   9.948   9.280   2.564
  457   H2''   DT   7          H2''       DT   7   9.374  10.020   1.053
  458    H1'   DT   7           H1'       DT   7   7.531  11.102   2.134
  459    H3    DT   7           H3        DT   7   9.581  14.931   3.367
  460    H71   DT   7           H71       DT   7  11.836  12.382   6.808
  461    H72   DT   7           H72       DT   7  12.017  10.814   5.984
  462    H73   DT   7           H73       DT   7  12.959  12.223   5.457
  463    H6    DT   7           H6        DT   7  10.288  10.306   4.484
  464    H5'   DA   8           H5'       DA   8   7.290  10.718  -1.394
  465   H5''   DA   8          H5''       DA   8   7.396   9.818  -2.910
  466    H4'   DA   8           H4'       DA   8   8.611  11.759  -3.310
  467    H3'   DA   8           H3'       DA   8  10.307   9.378  -2.975
  468    H2'   DA   8           H2'       DA   8  11.725  10.376  -1.515
  469   H2''   DA   8          H2''       DA   8  12.304  11.326  -2.911
  470    H1'   DA   8           H1'       DA   8  10.879  13.128  -2.473
  471    H8    DA   8           H8        DA   8  11.422  10.990   0.789
  472    H61   DA   8           H61       DA   8  13.235  16.592   3.029
  473    H62   DA   8           H62       DA   8  12.979  14.937   3.574
  474    H2    DA   8           H2        DA   8  12.152  17.112  -1.014
  475    H5'   DT   9           H5'       DT   9  10.936  12.816  -6.110
  476   H5''   DT   9          H5''       DT   9  11.662  12.097  -7.560
  477    H4'   DT   9           H4'       DT   9  12.308  14.405  -7.451
  478    H3'   DT   9           H3'       DT   9  14.226  12.318  -7.459
  479    H2'   DT   9           H2'       DT   9  15.183  12.712  -5.476
  480   H2''   DT   9          H2''       DT   9  16.004  14.068  -6.231
  481    H1'   DT   9           H1'       DT   9  14.484  15.664  -5.529
  482    H3    DT   9           H3        DT   9  15.278  16.387  -1.139
  483    H71   DT   9           H71       DT   9  14.510  11.029  -1.862
  484    H72   DT   9           H72       DT   9  15.844  11.594  -0.839
  485    H73   DT   9           H73       DT   9  14.182  11.777  -0.282
  486    H6    DT   9           H6        DT   9  14.146  12.441  -3.677
  487    H5'   DG  10           H5'       DG  10  15.137  16.762  -8.081
  488   H5''   DG  10          H5''       DG  10  16.049  16.953  -9.579
  489    H4'   DG  10           H4'       DG  10  16.569  18.810  -8.204
  490    H3'   DG  10           H3'       DG  10  18.585  17.152  -9.170
  491    H2'   DG  10           H2'       DG  10  18.969  16.051  -7.154
  492   H2''   DG  10          H2''       DG  10  20.123  17.368  -6.922
  493    H1'   DG  10           H1'       DG  10  18.598  18.674  -5.658
  494    H8    DG  10           H8        DG  10  17.918  14.909  -5.622
  495    H1    DG  10           H1        DG  10  19.013  17.527   0.162
  496    H21   DG  10           H21       DG  10  19.471  20.387  -1.674
  497    H22   DG  10           H22       DG  10  19.565  19.590  -0.099
  498    H5'   DC  11           H5'       DC  11  19.811  21.178  -6.927
  499   H5''   DC  11          H5''       DC  11  20.915  22.007  -8.020
  500    H4'   DC  11           H4'       DC  11  21.411  22.693  -5.807
  501    H3'   DC  11           H3'       DC  11  23.382  21.606  -7.455
  502    H2'   DC  11           H2'       DC  11  23.628  19.579  -6.388
  503   H2''   DC  11          H2''       DC  11  24.704  20.469  -5.309
  504    H1'   DC  11           H1'       DC  11  23.099  20.832  -3.693
  505    H41   DC  11           H41       DC  11  21.132  14.529  -3.312
  506    H42   DC  11           H42       DC  11  21.421  15.143  -1.681
  507    H5    DC  11           H5        DC  11  21.529  15.887  -5.277
  508    H6    DC  11           H6        DC  11  22.117  18.184  -6.014
  509    H5'   DG  12           H5'       DG  12  25.282  23.069  -3.475
  510   H5''   DG  12          H5''       DG  12  26.897  23.752  -3.681
  511    H4'   DG  12           H4'       DG  12  26.977  22.152  -1.903
  512    H3'   DG  12           H3'       DG  12  28.317  21.227  -4.434
  513   HO3'   DG  12          H3T        DG  12  30.169  21.538  -3.076
  514    H2'   DG  12           H2'       DG  12  28.347  19.073  -3.772
  515   H2''   DG  12          H2''       DG  12  28.895  19.491  -2.132
  516    H1'   DG  12           H1'       DG  12  26.777  19.562  -1.273
  517    H8    DG  12           H8        DG  12  26.104  18.507  -4.903
  518    H1    DG  12           H1        DG  12  24.572  14.191  -0.357
  519    H21   DG  12           H21       DG  12  25.928  16.579   1.731
  520    H22   DG  12           H22       DG  12  25.300  14.936   1.591
  521    H5'   DC  13           H5'       DC  13  24.781   7.515   4.674
  522   H5''   DC  13          H5''       DC  13  24.112   7.618   6.295
  523    H4'   DC  13           H4'       DC  13  25.559   9.496   5.911
  524    H3'   DC  13           H3'       DC  13  22.921   9.741   6.753
  525    H2'   DC  13           H2'       DC  13  22.062  10.621   4.781
  526   H2''   DC  13          H2''       DC  13  22.588  12.160   5.490
  527    H1'   DC  13           H1'       DC  13  24.657  12.127   4.396
  528    H41   DC  13           H41       DC  13  22.014  11.581  -1.639
  529    H42   DC  13           H42       DC  13  23.239  12.854  -1.669
  530    H5    DC  13           H5        DC  13  21.488  10.329   0.404
  531    H6    DC  13           H6        DC  13  22.143  10.033   2.730
  532   HO5'   DC  13          H5T        DC  13  22.512   6.988   4.706
  533    H5'   DG  14           H5'       DG  14  25.623  13.908   7.005
  534   H5''   DG  14          H5''       DG  14  25.335  14.348   8.688
  535    H4'   DG  14           H4'       DG  14  25.686  16.367   7.597
  536    H3'   DG  14           H3'       DG  14  23.228  15.977   8.843
  537    H2'   DG  14           H2'       DG  14  21.975  15.625   6.909
  538   H2''   DG  14          H2''       DG  14  21.826  17.364   6.942
  539    H1'   DG  14           H1'       DG  14  23.520  17.716   5.391
  540    H8    DG  14           H8        DG  14  21.982  14.223   5.294
  541    H1    DG  14           H1        DG  14  22.272  17.262  -0.381
  542    H21   DG  14           H21       DG  14  23.789  19.716   1.476
  543    H22   DG  14           H22       DG  14  23.178  19.203  -0.102
  544    H5'   DC  15           H5'       DC  15  23.806  20.048   6.832
  545   H5''   DC  15          H5''       DC  15  23.114  21.454   7.647
  546    H4'   DC  15           H4'       DC  15  22.682  21.506   5.261
  547    H3'   DC  15           H3'       DC  15  20.328  21.229   7.082
  548    H2'   DC  15           H2'       DC  15  19.027  20.302   5.506
  549   H2''   DC  15          H2''       DC  15  19.406  21.585   4.336
  550    H1'   DC  15           H1'       DC  15  21.124  20.476   3.366
  551    H41   DC  15           H41       DC  15  18.307  14.516   3.085
  552    H42   DC  15           H42       DC  15  18.351  15.258   1.477
  553    H5    DC  15           H5        DC  15  19.001  15.801   5.082
  554    H6    DC  15           H6        DC  15  20.031  17.947   5.781
  555    H5'   DA  16           H5'       DA  16  20.513  23.680   3.417
  556   H5''   DA  16          H5''       DA  16  19.965  25.345   3.596
  557    H4'   DA  16           H4'       DA  16  19.422  24.666   1.406
  558    H3'   DA  16           H3'       DA  16  17.369  25.467   3.193
  559    H2'   DA  16           H2'       DA  16  16.467  23.352   3.390
  560   H2''   DA  16          H2''       DA  16  15.522  23.855   1.987
  561    H1'   DA  16           H1'       DA  16  17.056  22.865   0.430
  562    H8    DA  16           H8        DA  16  17.109  21.327   3.920
  563    H61   DA  16           H61       DA  16  15.534  16.035   0.962
  564    H62   DA  16           H62       DA  16  16.046  16.673   2.516
  565    H2    DA  16           H2        DA  16  15.402  19.247  -1.928
  566    H5'   DT  17           H5'       DT  17  15.927  24.836  -1.097
  567   H5''   DT  17          H5''       DT  17  14.870  26.135  -1.668
  568    H4'   DT  17           H4'       DT  17  13.984  24.060  -2.421
  569    H3'   DT  17           H3'       DT  17  12.422  25.700  -0.614
  570    H2'   DT  17           H2'       DT  17  12.094  24.023   0.902
  571   H2''   DT  17          H2''       DT  17  10.878  23.402  -0.226
  572    H1'   DT  17           H1'       DT  17  12.454  22.004  -1.358
  573    H3    DT  17           H3        DT  17  12.750  18.205   1.084
  574    H71   DT  17           H71       DT  17  12.710  21.050   4.990
  575    H72   DT  17           H72       DT  17  14.444  20.850   4.725
  576    H73   DT  17           H73       DT  17  13.673  22.420   4.393
  577    H6    DT  17           H6        DT  17  13.338  22.850   2.180
  578    H5'   DA  18           H5'       DA  18  10.446  22.484  -2.941
  579   H5''   DA  18          H5''       DA  18   9.102  23.080  -3.918
  580    H4'   DA  18           H4'       DA  18   8.418  20.977  -3.257
  581    H3'   DA  18           H3'       DA  18   6.992  23.135  -1.872
  582    H2'   DA  18           H2'       DA  18   7.459  22.324   0.184
  583   H2''   DA  18          H2''       DA  18   6.166  21.156  -0.166
  584    H1'   DA  18           H1'       DA  18   7.683  19.528  -0.938
  585    H8    DA  18           H8        DA  18   9.030  21.929   1.742
  586    H61   DA  18           H61       DA  18  10.672  16.501   4.514
  587    H62   DA  18           H62       DA  18  10.598  18.235   4.835
  588    H2    DA  18           H2        DA  18   9.349  15.622   0.562
  589    H5'   DT  19           H5'       DT  19   5.756  18.840  -2.378
  590   H5''   DT  19          H5''       DT  19   4.231  18.823  -3.267
  591    H4'   DT  19           H4'       DT  19   3.928  17.014  -1.803
  592    H3'   DT  19           H3'       DT  19   2.363  19.337  -1.152
  593    H2'   DT  19           H2'       DT  19   3.661  19.885   0.677
  594   H2''   DT  19          H2''       DT  19   2.466  18.825   1.475
  595    H1'   DT  19           H1'       DT  19   3.841  16.850   1.074
  596    H3    DT  19           H3        DT  19   6.666  16.414   4.525
  597    H71   DT  19           H71       DT  19   5.978  21.273   4.795
  598    H72   DT  19           H72       DT  19   7.657  21.105   4.289
  599    H73   DT  19           H73       DT  19   6.445  21.689   3.126
  600    H6    DT  19           H6        DT  19   5.370  20.132   1.751
  601    H5'   DA  20           H5'       DA  20  -1.299  15.318  -0.378
  602   H5''   DA  20          H5''       DA  20  -0.129  16.227   0.569
  603    H4'   DA  20           H4'       DA  20   0.301  13.294  -0.089
  604    H3'   DA  20           H3'       DA  20  -1.830  14.296   1.392
  605    H2'   DA  20           H2'       DA  20  -0.572  15.454   2.937
  606   H2''   DA  20          H2''       DA  20  -0.624  13.915   3.812
  607    H1'   DA  20           H1'       DA  20   1.493  13.224   3.064
  608    H8    DA  20           H8        DA  20   1.530  16.977   2.184
  609    H61   DA  20           H61       DA  20   4.899  17.706   7.350
  610    H62   DA  20           H62       DA  20   4.144  18.569   6.004
  611    H2    DA  20           H2        DA  20   3.768  13.539   7.130
  612    H5'   DT  21           H5'       DT  21  -0.169  11.105   3.974
  613   H5''   DT  21          H5''       DT  21  -1.396   9.844   4.079
  614    H4'   DT  21           H4'       DT  21  -0.517   9.883   6.206
  615    H3'   DT  21           H3'       DT  21  -3.172  10.701   5.971
  616    H2'   DT  21           H2'       DT  21  -2.861  12.935   6.424
  617   H2''   DT  21          H2''       DT  21  -2.952  12.375   8.115
  618    H1'   DT  21           H1'       DT  21  -0.653  12.206   8.356
  619    H3    DT  21           H3        DT  21   1.560  16.086   8.771
  620    H71   DT  21           H71       DT  21  -0.382  17.480   4.552
  621    H72   DT  21           H72       DT  21  -1.945  16.622   4.610
  622    H73   DT  21           H73       DT  21  -1.623  17.982   5.703
  623    H6    DT  21           H6        DT  21  -1.767  14.552   5.617
  624    H5'   DG  22           H5'       DG  22  -1.520   9.992  10.254
  625   H5''   DG  22          H5''       DG  22  -2.715   9.161  11.271
  626    H4'   DG  22           H4'       DG  22  -1.657  10.782  12.623
  627    H3'   DG  22           H3'       DG  22  -4.478  11.074  12.122
  628    H2'   DG  22           H2'       DG  22  -4.209  13.112  11.053
  629   H2''   DG  22          H2''       DG  22  -4.226  13.746  12.720
  630    H1'   DG  22           H1'       DG  22  -1.828  13.612  12.887
  631    H8    DG  22           H8        DG  22  -3.229  14.297   9.379
  632    H1    DG  22           H1        DG  22   0.674  18.826  11.811
  633    H21   DG  22           H21       DG  22   0.810  16.651  14.480
  634    H22   DG  22           H22       DG  22   1.304  18.209  13.809
  635    H5'   DC  23           H5'       DC  23  -2.090  12.753  15.833
  636   H5''   DC  23          H5''       DC  23  -3.031  12.278  17.246
  637    H4'   DC  23           H4'       DC  23  -1.699  14.120  17.868
  638    H3'   DC  23           H3'       DC  23  -4.475  14.204  18.126
  639    H2'   DC  23           H2'       DC  23  -4.928  15.722  16.463
  640   H2''   DC  23          H2''       DC  23  -4.552  16.933  17.670
  641    H1'   DC  23           H1'       DC  23  -2.356  17.228  16.972
  642    H41   DC  23           H41       DC  23  -4.201  18.113  10.674
  643    H42   DC  23           H42       DC  23  -3.190  19.474  11.178
  644    H5    DC  23           H5        DC  23  -4.741  16.283  12.191
  645    H6    DC  23           H6        DC  23  -4.300  15.408  14.473
  646    H5'   DG  24           H5'       DG  24  -2.671  17.995  20.015
  647   H5''   DG  24          H5''       DG  24  -3.511  18.510  21.478
  648    H4'   DG  24           H4'       DG  24  -3.311  20.405  20.070
  649    H3'   DG  24           H3'       DG  24  -6.119  19.292  20.052
  650   HO3'   DG  24          H3T        DG  24  -5.478  20.482  21.932
  651    H2'   DG  24           H2'       DG  24  -6.693  20.509  18.264
  652   H2''   DG  24          H2''       DG  24  -5.874  21.973  18.870
  653    H1'   DG  24           H1'       DG  24  -3.918  21.514  17.774
  654    H8    DG  24           H8        DG  24  -6.130  18.607  16.576
  655    H1    DG  24           H1        DG  24  -4.465  22.997  12.138
  656    H21   DG  24           H21       DG  24  -2.852  24.427  14.831
  657    H22   DG  24           H22       DG  24  -3.313  24.590  13.139
  Start of MODEL   15
    1    H    ALA  79           H1       ALA  79  -1.799   5.922   9.004
    2    HA   ALA  79           HA       ALA  79   1.133   5.825   9.417
    3    HB1  ALA  79           HB1      ALA  79   0.950   3.910   7.799
    4    HB2  ALA  79           HB2      ALA  79   0.056   3.602   9.304
    5    HB3  ALA  79           HB3      ALA  79  -0.824   4.093   7.839
    6    H    ARG  80           H        ARG  80   2.415   6.161   7.575
    7    HA   ARG  80           HA       ARG  80   1.737   8.407   5.903
    8    HB2  ARG  80           HB2      ARG  80   4.065   6.465   5.861
    9    HB3  ARG  80           HB3      ARG  80   3.976   7.892   4.818
   10    HG2  ARG  80           HG2      ARG  80   3.632   8.136   7.816
   11    HG3  ARG  80           HG3      ARG  80   5.241   8.058   7.098
   12    HD2  ARG  80           HD2      ARG  80   4.934  10.092   5.900
   13    HD3  ARG  80           HD3      ARG  80   3.188  10.080   6.168
   14    HE   ARG  80           HE       ARG  80   5.302  10.815   8.124
   15   HH11  ARG  80          HH12      ARG  80   1.814  10.453   7.628
   16   HH12  ARG  80          HH11      ARG  80   1.500  11.398   9.048
   17   HH21  ARG  80          HH22      ARG  80   4.651  12.093   9.824
   18   HH22  ARG  80          HH21      ARG  80   2.955  12.178  10.257
   19    H    LYS  81           H        LYS  81  -0.341   7.235   5.208
   20    HA   LYS  81           HA       LYS  81  -0.577   5.297   3.212
   21    HB2  LYS  81           HB2      LYS  81  -2.223   7.756   3.940
   22    HB3  LYS  81           HB3      LYS  81  -2.759   6.565   2.769
   23    HG2  LYS  81           HG2      LYS  81  -3.236   4.967   4.335
   24    HG3  LYS  81           HG3      LYS  81  -1.941   5.459   5.440
   25    HD2  LYS  81           HD2      LYS  81  -3.170   7.339   6.254
   26    HD3  LYS  81           HD3      LYS  81  -4.438   7.151   5.027
   27    HE2  LYS  81           HE2      LYS  81  -5.190   5.073   5.966
   28    HE3  LYS  81           HE3      LYS  81  -3.790   4.954   7.036
   29    HZ1  LYS  81           HZ1      LYS  81  -5.799   5.762   8.204
   30    HZ2  LYS  81           HZ2      LYS  81  -4.589   6.869   8.271
   31    HZ3  LYS  81           HZ3      LYS  81  -5.856   7.098   7.258
   32    H    VAL  82           H        VAL  82  -0.329   5.229   1.258
   33    HA   VAL  82           HA       VAL  82   0.881   7.253  -0.456
   34    HB   VAL  82           HB       VAL  82  -0.409   4.560  -1.033
   35   HG11  VAL  82          HG11      VAL  82   1.132   6.409  -2.899
   36   HG12  VAL  82          HG12      VAL  82   0.864   4.672  -3.212
   37   HG13  VAL  82          HG13      VAL  82  -0.516   5.749  -3.098
   38   HG21  VAL  82          HG21      VAL  82   1.642   4.482   0.363
   39   HG22  VAL  82          HG22      VAL  82   1.814   3.678  -1.205
   40   HG23  VAL  82          HG23      VAL  82   2.531   5.281  -0.973
   41    H    LYS  83           H        LYS  83  -0.086   8.692  -1.761
   42    HA   LYS  83           HA       LYS  83  -2.970   8.382  -2.397
   43    HB2  LYS  83           HB2      LYS  83  -1.283  10.832  -1.998
   44    HB3  LYS  83           HB3      LYS  83  -2.454  10.841  -3.343
   45    HG2  LYS  83           HG2      LYS  83  -4.283  10.254  -1.876
   46    HG3  LYS  83           HG3      LYS  83  -3.198  10.201  -0.468
   47    HD2  LYS  83           HD2      LYS  83  -2.758  12.569  -0.608
   48    HD3  LYS  83           HD3      LYS  83  -3.438  12.666  -2.235
   49    HE2  LYS  83           HE2      LYS  83  -5.021  13.684  -0.777
   50    HE3  LYS  83           HE3      LYS  83  -5.700  12.171  -1.378
   51    HZ1  LYS  83           HZ1      LYS  83  -4.545  12.646   1.348
   52    HZ2  LYS  83           HZ2      LYS  83  -6.108  12.316   0.992
   53    HZ3  LYS  83           HZ3      LYS  83  -4.943  11.167   0.820
   54    H    GLN  84           H        GLN  84  -3.380   7.751  -4.390
   55    HA   GLN  84           HA       GLN  84  -1.216   7.704  -6.404
   56    HB2  GLN  84           HB2      GLN  84  -2.170   5.695  -6.846
   57    HB3  GLN  84           HB3      GLN  84  -3.665   6.081  -5.983
   58    HG2  GLN  84           HG2      GLN  84  -4.463   7.316  -7.924
   59    HG3  GLN  84           HG3      GLN  84  -2.951   6.952  -8.810
   60   HE21  GLN  84          HE22      GLN  84  -2.481   4.488  -9.102
   61   HE22  GLN  84          HE21      GLN  84  -3.899   3.478  -9.324
   62    H    TYR  85           H        TYR  85  -1.471   9.014  -8.152
   63    HA   TYR  85           HA       TYR  85  -3.809  10.888  -8.232
   64    HB2  TYR  85           HB2      TYR  85  -0.905  11.621  -8.815
   65    HB3  TYR  85           HB3      TYR  85  -2.291  12.688  -8.936
   66    HD1  TYR  85           HD1      TYR  85  -3.502  13.449  -6.926
   67    HD2  TYR  85           HD2      TYR  85   0.201  11.265  -6.679
   68    HE1  TYR  85           HE1      TYR  85  -3.137  14.350  -4.628
   69    HE2  TYR  85           HE2      TYR  85   0.580  12.143  -4.386
   70    HH   TYR  85           HH       TYR  85  -0.203  13.620  -2.733
   71    H    LYS  86           H        LYS  86  -4.672  11.124 -10.293
   72    HA   LYS  86           HA       LYS  86  -3.213   9.932 -12.625
   73    HB2  LYS  86           HB2      LYS  86  -4.804   8.279 -11.879
   74    HB3  LYS  86           HB3      LYS  86  -6.098   9.477 -11.750
   75    HG2  LYS  86           HG2      LYS  86  -6.224   9.767 -14.137
   76    HG3  LYS  86           HG3      LYS  86  -4.721   8.875 -14.400
   77    HD2  LYS  86           HD2      LYS  86  -5.816   6.812 -13.475
   78    HD3  LYS  86           HD3      LYS  86  -7.339   7.725 -13.341
   79    HE2  LYS  86           HE2      LYS  86  -7.242   8.175 -15.810
   80    HE3  LYS  86           HE3      LYS  86  -5.754   7.220 -15.910
   81    HZ1  LYS  86           HZ1      LYS  86  -7.712   5.889 -16.501
   82    HZ2  LYS  86           HZ2      LYS  86  -7.042   5.270 -15.148
   83    HZ3  LYS  86           HZ3      LYS  86  -8.412   6.161 -15.061
   84    H    ASN  87           H        ASN  87  -3.146  11.222 -14.348
   85    HA   ASN  87           HA       ASN  87  -4.432  13.873 -14.072
   86    HB2  ASN  87           HB2      ASN  87  -2.050  13.656 -14.327
   87    HB3  ASN  87           HB3      ASN  87  -2.228  12.882 -15.893
   88   HD21  ASN  87          HD22      ASN  87  -0.845  15.396 -15.173
   89   HD22  ASN  87          HD21      ASN  87  -1.684  16.655 -16.076
   90    HA   PRO  88           HA       PRO  88  -7.432  12.388 -17.173
   91    HB2  PRO  88           HB2      PRO  88  -9.138  14.561 -17.115
   92    HB3  PRO  88           HB3      PRO  88  -9.126  13.233 -15.916
   93    HG2  PRO  88           HG2      PRO  88  -7.800  15.946 -15.699
   94    HG3  PRO  88           HG3      PRO  88  -8.787  15.086 -14.467
   95    HD2  PRO  88           HD2      PRO  88  -6.083  15.058 -14.428
   96    HD3  PRO  88           HD3      PRO  88  -7.030  13.612 -13.956
   97    H    HIS  89           H        HIS  89  -5.345  15.170 -17.407
   98    HA   HIS  89           HA       HIS  89  -6.112  15.813 -20.193
   99    HB2  HIS  89           HB2      HIS  89  -3.890  16.955 -18.459
  100    HB3  HIS  89           HB3      HIS  89  -4.468  17.596 -19.988
  101    HD1  HIS  89           HD1      HIS  89  -7.089  18.581 -19.934
  102    HD2  HIS  89           HD2      HIS  89  -5.156  17.734 -16.273
  103    HE1  HIS  89           HE1      HIS  89  -8.431  19.800 -18.103
  104    HE2  HIS  89           HE2      HIS  89  -7.252  19.289 -15.878
  105    H    THR  90           H        THR  90  -3.764  13.756 -18.626
  106    HA   THR  90           HA       THR  90  -2.323  13.369 -21.241
  107    HB   THR  90           HB       THR  90  -0.302  12.987 -19.999
  108    HG1  THR  90           HG1      THR  90  -0.334  13.195 -17.726
  109   HG21  THR  90          HG21      THR  90  -0.903  15.409 -20.367
  110   HG22  THR  90          HG22      THR  90  -1.631  15.424 -18.736
  111   HG23  THR  90          HG23      THR  90   0.107  15.128 -18.930
  112    H    GLY  91           H        GLY  91  -3.885  11.705 -18.551
  113    HA2  GLY  91           HA2      GLY  91  -4.488   9.479 -18.374
  114    HA3  GLY  91           HA3      GLY  91  -3.618   9.090 -19.858
  115    H    GLU  92           H        GLU  92  -1.623  10.859 -17.618
  116    HA   GLU  92           HA       GLU  92  -0.061   8.492 -16.968
  117    HB2  GLU  92           HB2      GLU  92   0.301  11.457 -16.556
  118    HB3  GLU  92           HB3      GLU  92   1.285  10.292 -15.676
  119    HG2  GLU  92           HG2      GLU  92   1.060  10.092 -18.664
  120    HG3  GLU  92           HG3      GLU  92   2.184  11.233 -17.887
  121    H    VAL  93           H        VAL  93   0.424   7.951 -14.935
  122    HA   VAL  93           HA       VAL  93  -1.261   8.813 -12.639
  123    HB   VAL  93           HB       VAL  93  -0.479   6.000 -13.317
  124   HG11  VAL  93          HG11      VAL  93  -2.447   7.052 -11.208
  125   HG12  VAL  93          HG12      VAL  93  -2.248   5.344 -11.627
  126   HG13  VAL  93          HG13      VAL  93  -0.918   6.211 -10.880
  127   HG21  VAL  93          HG21      VAL  93  -2.950   5.652 -13.838
  128   HG22  VAL  93          HG22      VAL  93  -3.135   7.420 -13.747
  129   HG23  VAL  93          HG23      VAL  93  -2.103   6.698 -14.985
  130    H    ILE  94           H        ILE  94  -0.365   8.454 -10.657
  131    HA   ILE  94           HA       ILE  94   2.462   7.728 -10.281
  132    HB   ILE  94           HB       ILE  94   1.901  10.014  -8.606
  133   HG12  ILE  94          HG12      ILE  94   1.924  10.838 -11.530
  134   HG13  ILE  94          HG13      ILE  94   0.492  10.858 -10.482
  135   HG21  ILE  94          HG21      ILE  94   4.087  10.709  -9.226
  136   HG22  ILE  94          HG22      ILE  94   4.118   8.957  -9.139
  137   HG23  ILE  94          HG23      ILE  94   4.041   9.759 -10.736
  138   HD11  ILE  94          HD11      ILE  94   1.394  13.070 -10.507
  139   HD12  ILE  94          HD12      ILE  94   1.695  12.358  -8.899
  140   HD13  ILE  94          HD13      ILE  94   3.013  12.486 -10.091
  141    H    GLU  95           H        GLU  95   2.962   7.681  -7.985
  142    HA   GLU  95           HA       GLU  95   0.810   7.446  -5.988
  143    HB2  GLU  95           HB2      GLU  95   2.643   5.230  -6.934
  144    HB3  GLU  95           HB3      GLU  95   2.087   5.263  -5.242
  145    HG2  GLU  95           HG2      GLU  95  -0.231   5.190  -5.925
  146    HG3  GLU  95           HG3      GLU  95   0.225   5.269  -7.634
  147    H    THR  96           H        THR  96   1.502   8.674  -4.331
  148    HA   THR  96           HA       THR  96   4.315   8.466  -3.382
  149    HB   THR  96           HB       THR  96   4.992  10.534  -3.797
  150    HG1  THR  96           HG1      THR  96   3.772  12.367  -3.466
  151   HG21  THR  96          HG21      THR  96   4.075  11.785  -5.706
  152   HG22  THR  96          HG22      THR  96   4.131  10.074  -6.110
  153   HG23  THR  96          HG23      THR  96   2.579  10.819  -5.646
  154    H    LYS  97           H        LYS  97   4.564   9.023  -1.151
  155    HA   LYS  97           HA       LYS  97   2.007   9.085   0.411
  156    HB2  LYS  97           HB2      LYS  97   4.841   8.781   1.357
  157    HB3  LYS  97           HB3      LYS  97   3.398   8.453   2.299
  158    HG2  LYS  97           HG2      LYS  97   2.901   6.479   1.032
  159    HG3  LYS  97           HG3      LYS  97   4.096   6.868  -0.206
  160    HD2  LYS  97           HD2      LYS  97   5.860   6.723   1.690
  161    HD3  LYS  97           HD3      LYS  97   4.589   5.928   2.618
  162    HE2  LYS  97           HE2      LYS  97   5.904   4.211   1.627
  163    HE3  LYS  97           HE3      LYS  97   4.391   4.244   0.711
  164    HZ1  LYS  97           HZ1      LYS  97   6.392   4.140  -0.746
  165    HZ2  LYS  97           HZ2      LYS  97   5.599   5.549  -1.024
  166    HZ3  LYS  97           HZ3      LYS  97   6.956   5.562  -0.143
  167    H    GLY  98           H        GLY  98   3.544  11.384  -1.050
  168    HA2  GLY  98           HA2      GLY  98   2.978  13.728  -0.300
  169    HA3  GLY  98           HA3      GLY  98   3.857  13.337   1.181
  170    H    GLY  99           H        GLY  99   5.042  15.213   0.570
  171    HA2  GLY  99           HA2      GLY  99   7.043  16.107   0.200
  172    HA3  GLY  99           HA3      GLY  99   7.612  14.534  -0.331
  173    H    ASN 100           H        ASN 100   8.708  16.722  -1.254
  174    HA   ASN 100           HA       ASN 100   8.071  17.667  -3.851
  175    HB2  ASN 100           HB2      ASN 100   9.745  18.769  -2.579
  176    HB3  ASN 100           HB3      ASN 100  10.504  17.277  -2.116
  177   HD21  ASN 100          HD22      ASN 100  12.386  18.594  -2.578
  178   HD22  ASN 100          HD21      ASN 100  13.097  18.235  -4.136
  179    H    HIS 101           H        HIS 101   7.322  16.194  -5.292
  180    HA   HIS 101           HA       HIS 101   9.175  14.054  -6.217
  181    HB2  HIS 101           HB2      HIS 101   7.263  13.168  -4.813
  182    HB3  HIS 101           HB3      HIS 101   6.139  13.766  -6.026
  183    HD1  HIS 101           HD1      HIS 101   9.047  11.151  -5.690
  184    HD2  HIS 101           HD2      HIS 101   5.758  12.203  -8.149
  185    HE1  HIS 101           HE1      HIS 101   8.768   9.256  -7.381
  186    HE2  HIS 101           HE2      HIS 101   6.789   9.895  -8.892
  187    H    LYS 102           H        LYS 102   9.566  14.080  -8.380
  188    HA   LYS 102           HA       LYS 102   9.285  16.423  -9.799
  189    HB2  LYS 102           HB2      LYS 102  10.909  14.581 -10.138
  190    HB3  LYS 102           HB3      LYS 102   9.717  13.778 -11.175
  191    HG2  LYS 102           HG2      LYS 102   9.592  15.786 -12.615
  192    HG3  LYS 102           HG3      LYS 102  10.662  16.677 -11.524
  193    HD2  LYS 102           HD2      LYS 102  11.432  14.185 -13.064
  194    HD3  LYS 102           HD3      LYS 102  11.776  15.863 -13.551
  195    HE2  LYS 102           HE2      LYS 102  13.092  16.197 -11.457
  196    HE3  LYS 102           HE3      LYS 102  12.795  14.513 -11.006
  197    HZ1  LYS 102           HZ1      LYS 102  14.344  15.412 -13.377
  198    HZ2  LYS 102           HZ2      LYS 102  14.922  14.693 -12.013
  199    HZ3  LYS 102           HZ3      LYS 102  13.986  13.842 -13.047
  200    H    THR 103           H        THR 103   7.437  13.560 -11.036
  201    HA   THR 103           HA       THR 103   5.958  15.083 -12.884
  202    HB   THR 103           HB       THR 103   4.975  12.542 -11.551
  203    HG1  THR 103           HG1      THR 103   6.078  11.552 -13.296
  204   HG21  THR 103          HG21      THR 103   4.337  14.007 -14.135
  205   HG22  THR 103          HG22      THR 103   3.932  12.281 -13.911
  206   HG23  THR 103          HG23      THR 103   3.219  13.503 -12.852
  207    H    LEU 104           H        LEU 104   5.095  14.317  -9.530
  208    HA   LEU 104           HA       LEU 104   2.475  15.422  -9.512
  209    HB2  LEU 104           HB2      LEU 104   3.451  13.892  -7.805
  210    HB3  LEU 104           HB3      LEU 104   4.552  15.169  -7.284
  211    HG   LEU 104           HG       LEU 104   2.692  16.504  -6.445
  212   HD11  LEU 104          HD11      LEU 104   0.932  14.182  -7.366
  213   HD12  LEU 104          HD12      LEU 104   0.405  15.506  -6.323
  214   HD13  LEU 104          HD13      LEU 104   0.886  15.847  -7.992
  215   HD21  LEU 104          HD21      LEU 104   2.032  15.030  -4.600
  216   HD22  LEU 104          HD22      LEU 104   2.536  13.606  -5.516
  217   HD23  LEU 104          HD23      LEU 104   3.744  14.804  -4.978
  218    H    LYS 105           H        LYS 105   5.669  16.988  -9.057
  219    HA   LYS 105           HA       LYS 105   4.563  19.582  -8.393
  220    HB2  LYS 105           HB2      LYS 105   6.859  18.924  -7.741
  221    HB3  LYS 105           HB3      LYS 105   7.312  18.756  -9.428
  222    HG2  LYS 105           HG2      LYS 105   8.195  20.830  -8.559
  223    HG3  LYS 105           HG3      LYS 105   7.021  21.154  -9.819
  224    HD2  LYS 105           HD2      LYS 105   6.657  22.771  -8.126
  225    HD3  LYS 105           HD3      LYS 105   5.304  21.649  -7.997
  226    HE2  LYS 105           HE2      LYS 105   6.541  20.472  -6.111
  227    HE3  LYS 105           HE3      LYS 105   7.831  21.668  -6.270
  228    HZ1  LYS 105           HZ1      LYS 105   5.030  22.147  -5.370
  229    HZ2  LYS 105           HZ2      LYS 105   6.380  22.394  -4.534
  230    HZ3  LYS 105           HZ3      LYS 105   6.038  23.401  -5.794
  231    H    GLU 106           H        GLU 106   5.364  18.003 -11.502
  232    HA   GLU 106           HA       GLU 106   5.157  20.430 -13.031
  233    HB2  GLU 106           HB2      GLU 106   4.508  17.649 -14.042
  234    HB3  GLU 106           HB3      GLU 106   5.018  19.079 -14.977
  235    HG2  GLU 106           HG2      GLU 106   7.188  18.914 -13.560
  236    HG3  GLU 106           HG3      GLU 106   6.541  17.329 -13.088
  237    H    TRP 107           H        TRP 107   2.908  17.833 -12.215
  238    HA   TRP 107           HA       TRP 107   0.639  18.909 -13.585
  239    HB2  TRP 107           HB2      TRP 107   0.689  17.245 -11.053
  240    HB3  TRP 107           HB3      TRP 107  -0.734  17.571 -12.047
  241    HD1  TRP 107           HD1      TRP 107   2.036  16.827 -14.383
  242    HE1  TRP 107           HE1      TRP 107   1.960  14.388 -15.142
  243    HE3  TRP 107           HE3      TRP 107  -1.397  15.024 -11.029
  244    HZ2  TRP 107           HZ2      TRP 107   0.820  11.937 -14.241
  245    HZ3  TRP 107           HZ3      TRP 107  -2.051  12.634 -11.113
  246    HH2  TRP 107           HH2      TRP 107  -0.904  11.068 -12.659
  247    H    LYS 108           H        LYS 108   1.801  19.653 -10.287
  248    HA   LYS 108           HA       LYS 108  -0.367  21.469  -9.634
  249    HB2  LYS 108           HB2      LYS 108   2.510  21.324  -8.622
  250    HB3  LYS 108           HB3      LYS 108   1.290  22.449  -8.008
  251    HG2  LYS 108           HG2      LYS 108  -0.174  20.496  -7.430
  252    HG3  LYS 108           HG3      LYS 108   1.137  19.413  -7.901
  253    HD2  LYS 108           HD2      LYS 108   2.628  20.653  -6.248
  254    HD3  LYS 108           HD3      LYS 108   1.190  21.537  -5.706
  255    HE2  LYS 108           HE2      LYS 108   0.093  19.263  -5.236
  256    HE3  LYS 108           HE3      LYS 108   1.625  18.508  -5.666
  257    HZ1  LYS 108           HZ1      LYS 108   1.680  18.716  -3.363
  258    HZ2  LYS 108           HZ2      LYS 108   2.625  20.001  -3.864
  259    HZ3  LYS 108           HZ3      LYS 108   1.102  20.264  -3.343
  260    H    ALA 109           H        ALA 109   2.707  21.909 -11.433
  261    HA   ALA 109           HA       ALA 109   2.543  24.759 -11.560
  262    HB1  ALA 109           HB1      ALA 109   4.247  24.525 -13.297
  263    HB2  ALA 109           HB2      ALA 109   4.607  23.369 -11.982
  264    HB3  ALA 109           HB3      ALA 109   3.872  22.815 -13.509
  265    H    LYS 110           H        LYS 110   1.733  22.155 -13.834
  266    HA   LYS 110           HA       LYS 110   0.913  23.759 -15.882
  267    HB2  LYS 110           HB2      LYS 110   0.717  20.812 -15.288
  268    HB3  LYS 110           HB3      LYS 110   0.022  21.455 -16.790
  269    HG2  LYS 110           HG2      LYS 110   2.222  22.382 -17.434
  270    HG3  LYS 110           HG3      LYS 110   2.925  21.827 -15.911
  271    HD2  LYS 110           HD2      LYS 110   3.590  20.218 -17.520
  272    HD3  LYS 110           HD3      LYS 110   2.301  19.461 -16.593
  273    HE2  LYS 110           HE2      LYS 110   1.766  18.902 -18.809
  274    HE3  LYS 110           HE3      LYS 110   0.689  20.256 -18.447
  275    HZ1  LYS 110           HZ1      LYS 110   2.256  21.730 -19.648
  276    HZ2  LYS 110           HZ2      LYS 110   3.259  20.477 -19.956
  277    HZ3  LYS 110           HZ3      LYS 110   1.771  20.519 -20.626
  278    H    TRP 111           H        TRP 111  -1.066  22.176 -13.425
  279    HA   TRP 111           HA       TRP 111  -3.534  23.483 -14.539
  280    HB2  TRP 111           HB2      TRP 111  -3.337  20.689 -13.398
  281    HB3  TRP 111           HB3      TRP 111  -4.809  21.489 -13.916
  282    HD1  TRP 111           HD1      TRP 111  -5.079  21.939 -16.591
  283    HE1  TRP 111           HE1      TRP 111  -4.134  20.705 -18.637
  284    HE3  TRP 111           HE3      TRP 111  -1.363  19.344 -14.287
  285    HZ2  TRP 111           HZ2      TRP 111  -1.978  18.852 -19.206
  286    HZ3  TRP 111           HZ3      TRP 111   0.220  17.924 -15.623
  287    HH2  TRP 111           HH2      TRP 111  -0.123  17.624 -18.045
  288    H    GLY 112           H        GLY 112  -2.189  22.017 -11.517
  289    HA2  GLY 112           HA2      GLY 112  -2.064  23.955  -9.807
  290    HA3  GLY 112           HA3      GLY 112  -3.812  23.986  -9.915
  291    HA   PRO 113           HA       PRO 113  -2.221  20.736  -6.742
  292    HB2  PRO 113           HB2      PRO 113  -2.571  22.151  -4.379
  293    HB3  PRO 113           HB3      PRO 113  -1.034  21.971  -5.259
  294    HG2  PRO 113           HG2      PRO 113  -2.985  24.269  -5.355
  295    HG3  PRO 113           HG3      PRO 113  -1.192  24.317  -5.258
  296    HD2  PRO 113           HD2      PRO 113  -2.531  24.708  -7.590
  297    HD3  PRO 113           HD3      PRO 113  -0.967  23.833  -7.549
  298    H    GLU 114           H        GLU 114  -4.934  23.081  -6.669
  299    HA   GLU 114           HA       GLU 114  -6.753  21.557  -5.094
  300    HB2  GLU 114           HB2      GLU 114  -7.498  23.254  -7.484
  301    HB3  GLU 114           HB3      GLU 114  -8.430  22.907  -6.000
  302    HG2  GLU 114           HG2      GLU 114  -6.639  24.204  -4.739
  303    HG3  GLU 114           HG3      GLU 114  -5.973  24.644  -6.322
  304    H    ALA 115           H        ALA 115  -6.179  21.693  -8.532
  305    HA   ALA 115           HA       ALA 115  -8.078  19.798  -9.449
  306    HB1  ALA 115           HB1      ALA 115  -6.849  19.878 -11.507
  307    HB2  ALA 115           HB2      ALA 115  -6.674  21.500 -10.782
  308    HB3  ALA 115           HB3      ALA 115  -5.335  20.298 -10.706
  309    H    VAL 116           H        VAL 116  -4.596  19.495  -8.872
  310    HA   VAL 116           HA       VAL 116  -4.252  16.849  -9.381
  311    HB   VAL 116           HB       VAL 116  -2.784  18.844  -7.669
  312   HG11  VAL 116          HG11      VAL 116  -1.711  16.077  -8.303
  313   HG12  VAL 116          HG12      VAL 116  -0.810  17.445  -7.586
  314   HG13  VAL 116          HG13      VAL 116  -2.113  16.692  -6.683
  315   HG21  VAL 116          HG21      VAL 116  -2.106  17.492 -10.298
  316   HG22  VAL 116          HG22      VAL 116  -2.919  19.055 -10.197
  317   HG23  VAL 116          HG23      VAL 116  -1.266  18.883  -9.559
  318    H    GLU 117           H        GLU 117  -4.927  18.302  -6.161
  319    HA   GLU 117           HA       GLU 117  -4.927  15.775  -4.743
  320    HB2  GLU 117           HB2      GLU 117  -6.149  18.493  -4.092
  321    HB3  GLU 117           HB3      GLU 117  -6.181  17.104  -3.003
  322    HG2  GLU 117           HG2      GLU 117  -3.709  17.035  -2.978
  323    HG3  GLU 117           HG3      GLU 117  -3.645  18.450  -4.036
  324    H    SER 118           H        SER 118  -7.438  17.586  -6.507
  325    HA   SER 118           HA       SER 118  -9.685  16.072  -5.497
  326    HB2  SER 118           HB2      SER 118  -9.885  18.312  -6.548
  327    HB3  SER 118           HB3      SER 118  -9.457  17.596  -8.118
  328    HG   SER 118           HG       SER 118 -11.751  17.765  -7.776
  329    H    TRP 119           H        TRP 119  -7.470  15.620  -8.233
  330    HA   TRP 119           HA       TRP 119  -8.820  13.351  -9.385
  331    HB2  TRP 119           HB2      TRP 119  -5.864  13.992  -9.534
  332    HB3  TRP 119           HB3      TRP 119  -6.824  13.024 -10.636
  333    HD1  TRP 119           HD1      TRP 119  -9.150  15.452 -10.857
  334    HE1  TRP 119           HE1      TRP 119  -8.623  17.411 -12.420
  335    HE3  TRP 119           HE3      TRP 119  -4.088  14.788 -11.308
  336    HZ2  TRP 119           HZ2      TRP 119  -6.297  18.576 -13.671
  337    HZ3  TRP 119           HZ3      TRP 119  -2.746  16.318 -12.739
  338    HH2  TRP 119           HH2      TRP 119  -3.833  18.212 -13.913
  339    H    ALA 120           H        ALA 120  -7.056  13.517  -6.393
  340    HA   ALA 120           HA       ALA 120  -5.563  11.159  -6.684
  341    HB1  ALA 120           HB1      ALA 120  -5.143  13.110  -5.099
  342    HB2  ALA 120           HB2      ALA 120  -6.347  12.374  -4.023
  343    HB3  ALA 120           HB3      ALA 120  -4.868  11.473  -4.453
  344    H    THR 121           H        THR 121  -5.537   9.548  -5.192
  345    HA   THR 121           HA       THR 121  -8.027   8.019  -4.397
  346    HB   THR 121           HB       THR 121  -5.658   7.079  -6.027
  347    HG1  THR 121           HG1      THR 121  -7.284   6.686  -7.616
  348   HG21  THR 121          HG21      THR 121  -6.381   5.253  -4.597
  349   HG22  THR 121          HG22      THR 121  -8.093   5.708  -4.836
  350   HG23  THR 121          HG23      THR 121  -7.150   4.952  -6.159
  351    H    LEU 122           H        LEU 122  -7.703   6.788  -2.569
  352    HA   LEU 122           HA       LEU 122  -5.114   7.185  -1.097
  353    HB2  LEU 122           HB2      LEU 122  -7.414   8.098  -0.323
  354    HB3  LEU 122           HB3      LEU 122  -7.779   6.437   0.126
  355    HG   LEU 122           HG       LEU 122  -5.395   8.092   1.106
  356   HD11  LEU 122          HD11      LEU 122  -7.588   8.918   1.931
  357   HD12  LEU 122          HD12      LEU 122  -7.965   7.289   2.542
  358   HD13  LEU 122          HD13      LEU 122  -6.621   8.224   3.234
  359   HD21  LEU 122          HD21      LEU 122  -5.280   6.301   2.909
  360   HD22  LEU 122          HD22      LEU 122  -6.335   5.308   1.880
  361   HD23  LEU 122          HD23      LEU 122  -4.724   5.837   1.311
  362    H    LEU 123           H        LEU 123  -3.817   5.651  -0.932
  363    HA   LEU 123           HA       LEU 123  -4.629   2.796  -1.145
  364    HB2  LEU 123           HB2      LEU 123  -2.146   4.200  -2.221
  365    HB3  LEU 123           HB3      LEU 123  -2.501   2.480  -2.354
  366    HG   LEU 123           HG       LEU 123  -4.003   4.786  -3.678
  367   HD11  LEU 123          HD11      LEU 123  -2.130   2.631  -4.746
  368   HD12  LEU 123          HD12      LEU 123  -3.044   3.772  -5.750
  369   HD13  LEU 123          HD13      LEU 123  -1.810   4.370  -4.623
  370   HD21  LEU 123          HD21      LEU 123  -5.185   3.024  -4.972
  371   HD22  LEU 123          HD22      LEU 123  -4.394   1.763  -3.993
  372   HD23  LEU 123          HD23      LEU 123  -5.556   2.872  -3.251
  373    H    GLY 124           H        GLY 124  -3.423   1.391  -0.085
  374    HA2  GLY 124           HA2      GLY 124  -2.469   1.961   2.563
  375    HA3  GLY 124           HA3      GLY 124  -2.327   0.416   1.737
  376    H    HIS 125           H        HIS 125  -0.370   0.724   3.304
  377    HA   HIS 125           HA       HIS 125   2.023   1.352   1.673
  378    HB2  HIS 125           HB2      HIS 125   1.678   3.319   2.987
  379    HB3  HIS 125           HB3      HIS 125   1.557   2.376   4.480
  380    HD1  HIS 125           HD1      HIS 125   4.393   0.790   3.001
  381    HD2  HIS 125           HD2      HIS 125   3.597   4.531   4.747
  382    HE1  HIS 125           HE1      HIS 125   6.694   1.754   3.750
  383    HE2  HIS 125           HE2      HIS 125   6.192   4.047   4.838
  384    H5'   DC   1           H5'       DC   1  -5.195  28.857   8.007
  385   H5''   DC   1          H5''       DC   1  -3.848  29.694   7.249
  386    H4'   DC   1           H4'       DC   1  -3.463  29.608   9.608
  387    H3'   DC   1           H3'       DC   1  -1.655  28.565   7.746
  388    H2'   DC   1           H2'       DC   1  -1.709  26.392   8.289
  389   H2''   DC   1          H2''       DC   1  -0.684  26.806   9.648
  390    H1'   DC   1           H1'       DC   1  -2.392  26.925  11.179
  391    H41   DC   1           H41       DC   1  -5.140  21.212   9.247
  392    H42   DC   1           H42       DC   1  -4.968  21.203  11.008
  393    H5    DC   1           H5        DC   1  -4.432  23.160   7.896
  394    H6    DC   1           H6        DC   1  -3.517  25.399   8.055
  395   HO5'   DC   1          H5T        DC   1  -4.499  27.786   6.056
  396    H5'   DG   2           H5'       DG   2  -0.162  28.844  12.270
  397   H5''   DG   2          H5''       DG   2   1.392  29.679  12.263
  398    H4'   DG   2           H4'       DG   2   1.535  28.123  13.998
  399    H3'   DG   2           H3'       DG   2   3.334  27.871  11.845
  400    H2'   DG   2           H2'       DG   2   2.342  25.954  10.986
  401   H2''   DG   2          H2''       DG   2   3.465  25.156  12.096
  402    H1'   DG   2           H1'       DG   2   1.824  24.984  13.828
  403    H8    DG   2           H8        DG   2   0.463  25.089  10.245
  404    H1    DG   2           H1        DG   2  -1.278  19.918  13.675
  405    H21   DG   2           H21       DG   2   0.589  21.424  16.125
  406    H22   DG   2           H22       DG   2  -0.379  20.029  15.637
  407    H5'   DC   3           H5'       DC   3   3.969  25.360  15.780
  408   H5''   DC   3          H5''       DC   3   5.671  25.378  16.238
  409    H4'   DC   3           H4'       DC   3   4.689  23.303  16.914
  410    H3'   DC   3           H3'       DC   3   6.869  23.349  14.982
  411    H2'   DC   3           H2'       DC   3   6.070  21.808  13.549
  412   H2''   DC   3          H2''       DC   3   6.109  20.591  14.833
  413    H1'   DC   3           H1'       DC   3   3.913  20.804  15.369
  414    H41   DC   3           H41       DC   3   1.556  21.337   9.205
  415    H42   DC   3           H42       DC   3   0.982  19.835   9.940
  416    H5    DC   3           H5        DC   3   3.177  22.776  10.352
  417    H6    DC   3           H6        DC   3   4.326  23.110  12.531
  418    H5'   DA   4           H5'       DA   4   6.294  19.562  17.354
  419   H5''   DA   4          H5''       DA   4   7.776  18.917  18.058
  420    H4'   DA   4           H4'       DA   4   6.527  17.093  17.258
  421    H3'   DA   4           H3'       DA   4   9.100  17.622  16.083
  422    H2'   DA   4           H2'       DA   4   8.280  17.916  13.969
  423   H2''   DA   4          H2''       DA   4   8.313  16.155  13.882
  424    H1'   DA   4           H1'       DA   4   6.031  15.936  14.581
  425    H8    DA   4           H8        DA   4   6.895  19.275  12.928
  426    H61   DA   4           H61       DA   4   2.575  17.610   8.721
  427    H62   DA   4           H62       DA   4   3.637  18.922   9.215
  428    H2    DA   4           H2        DA   4   2.977  14.355  11.565
  429    H5'   DT   5           H5'       DT   5   7.298  13.429  15.428
  430   H5''   DT   5          H5''       DT   5   8.491  12.178  15.789
  431    H4'   DT   5           H4'       DT   5   7.194  11.443  13.940
  432    H3'   DT   5           H3'       DT   5  10.026  11.803  13.648
  433    H2'   DT   5           H2'       DT   5   9.864  13.406  12.017
  434   H2''   DT   5          H2''       DT   5   9.637  12.033  10.923
  435    H1'   DT   5           H1'       DT   5   7.271  12.099  11.091
  436    H3    DT   5           H3        DT   5   5.625  15.273   8.317
  437    H71   DT   5           H71       DT   5   8.297  18.531  10.732
  438    H72   DT   5           H72       DT   5   9.634  17.496  11.291
  439    H73   DT   5           H73       DT   5   9.481  17.918   9.572
  440    H6    DT   5           H6        DT   5   9.065  15.330  11.719
  441    H5'   DA   6           H5'       DA   6   7.296   9.082  11.017
  442   H5''   DA   6          H5''       DA   6   8.114   7.541  10.756
  443    H4'   DA   6           H4'       DA   6   6.585   7.905   8.991
  444    H3'   DA   6           H3'       DA   6   9.251   7.329   8.441
  445    H2'   DA   6           H2'       DA   6   9.884   9.478   7.924
  446   H2''   DA   6          H2''       DA   6   9.407   8.987   6.304
  447    H1'   DA   6           H1'       DA   6   7.292   9.989   6.448
  448    H8    DA   6           H8        DA   6   9.946  11.453   8.803
  449    H61   DA   6           H61       DA   6   8.370  16.846   6.024
  450    H62   DA   6           H62       DA   6   9.549  16.132   7.122
  451    H2    DA   6           H2        DA   6   5.764  13.757   4.503
  452    H5'   DT   7           H5'       DT   7   6.480   8.143   5.141
  453   H5''   DT   7          H5''       DT   7   6.442   6.985   3.819
  454    H4'   DT   7           H4'       DT   7   6.124   9.213   2.963
  455    H3'   DT   7           H3'       DT   7   8.381   7.646   2.065
  456    H2'   DT   7           H2'       DT   7   9.904   9.264   2.743
  457   H2''   DT   7          H2''       DT   7   9.459  10.059   1.216
  458    H1'   DT   7           H1'       DT   7   7.630  11.271   2.267
  459    H3    DT   7           H3        DT   7   9.939  14.986   3.352
  460    H71   DT   7           H71       DT   7  13.142  12.102   5.514
  461    H72   DT   7           H72       DT   7  12.050  12.415   6.865
  462    H73   DT   7           H73       DT   7  12.089  10.801   6.115
  463    H6    DT   7           H6        DT   7  10.304  10.363   4.660
  464    H5'   DA   8           H5'       DA   8   7.348  10.843  -1.437
  465   H5''   DA   8          H5''       DA   8   7.495   9.884  -2.907
  466    H4'   DA   8           H4'       DA   8   8.704  11.838  -3.342
  467    H3'   DA   8           H3'       DA   8  10.382   9.451  -2.954
  468    H2'   DA   8           H2'       DA   8  11.809  10.452  -1.519
  469   H2''   DA   8          H2''       DA   8  12.397  11.384  -2.925
  470    H1'   DA   8           H1'       DA   8  11.002  13.206  -2.501
  471    H8    DA   8           H8        DA   8  11.477  11.070   0.768
  472    H61   DA   8           H61       DA   8  13.485  16.622   2.963
  473    H62   DA   8           H62       DA   8  13.164  14.982   3.513
  474    H2    DA   8           H2        DA   8  12.382  17.157  -1.077
  475    H5'   DT   9           H5'       DT   9  11.049  12.861  -6.079
  476   H5''   DT   9          H5''       DT   9  11.745  12.135  -7.538
  477    H4'   DT   9           H4'       DT   9  12.394  14.435  -7.454
  478    H3'   DT   9           H3'       DT   9  14.318  12.356  -7.494
  479    H2'   DT   9           H2'       DT   9  15.276  12.740  -5.501
  480   H2''   DT   9          H2''       DT   9  16.115  14.079  -6.266
  481    H1'   DT   9           H1'       DT   9  14.610  15.698  -5.563
  482    H3    DT   9           H3        DT   9  15.480  16.436  -1.195
  483    H71   DT   9           H71       DT   9  14.595  11.087  -1.870
  484    H72   DT   9           H72       DT   9  15.957  11.627  -0.867
  485    H73   DT   9           H73       DT   9  14.310  11.851  -0.293
  486    H6    DT   9           H6        DT   9  14.247  12.491  -3.689
  487    H5'   DG  10           H5'       DG  10  15.197  16.817  -8.106
  488   H5''   DG  10          H5''       DG  10  16.103  17.022  -9.605
  489    H4'   DG  10           H4'       DG  10  16.619  18.869  -8.221
  490    H3'   DG  10           H3'       DG  10  18.638  17.212  -9.203
  491    H2'   DG  10           H2'       DG  10  19.038  16.122  -7.186
  492   H2''   DG  10          H2''       DG  10  20.189  17.440  -6.964
  493    H1'   DG  10           H1'       DG  10  18.655  18.753  -5.699
  494    H8    DG  10           H8        DG  10  18.001  14.987  -5.634
  495    H1    DG  10           H1        DG  10  19.203  17.625   0.115
  496    H21   DG  10           H21       DG  10  19.601  20.485  -1.742
  497    H22   DG  10           H22       DG  10  19.716  19.698  -0.163
  498    H5'   DC  11           H5'       DC  11  19.831  21.263  -6.997
  499   H5''   DC  11          H5''       DC  11  20.918  22.098  -8.102
  500    H4'   DC  11           H4'       DC  11  21.401  22.816  -5.894
  501    H3'   DC  11           H3'       DC  11  23.386  21.766  -7.539
  502    H2'   DC  11           H2'       DC  11  23.669  19.745  -6.467
  503   H2''   DC  11          H2''       DC  11  24.742  20.656  -5.403
  504    H1'   DC  11           H1'       DC  11  23.139  21.000  -3.772
  505    H41   DC  11           H41       DC  11  21.294  14.661  -3.341
  506    H42   DC  11           H42       DC  11  21.604  15.297  -1.719
  507    H5    DC  11           H5        DC  11  21.636  16.020  -5.323
  508    H6    DC  11           H6        DC  11  22.177  18.326  -6.075
  509    H5'   DG  12           H5'       DG  12  25.246  23.228  -3.569
  510   H5''   DG  12          H5''       DG  12  26.822  24.002  -3.771
  511    H4'   DG  12           H4'       DG  12  27.009  22.389  -2.017
  512    H3'   DG  12           H3'       DG  12  28.331  21.492  -4.576
  513   HO3'   DG  12          H3T        DG  12  29.473  23.026  -3.272
  514    H2'   DG  12           H2'       DG  12  28.435  19.354  -3.922
  515   H2''   DG  12          H2''       DG  12  28.998  19.782  -2.287
  516    H1'   DG  12           H1'       DG  12  26.893  19.791  -1.396
  517    H8    DG  12           H8        DG  12  26.206  18.701  -5.017
  518    H1    DG  12           H1        DG  12  24.767  14.410  -0.422
  519    H21   DG  12           H21       DG  12  26.103  16.831   1.637
  520    H22   DG  12           H22       DG  12  25.498  15.179   1.512
  521    H5'   DC  13           H5'       DC  13  25.106   7.785   4.642
  522   H5''   DC  13          H5''       DC  13  24.446   7.876   6.271
  523    H4'   DC  13           H4'       DC  13  25.862   9.773   5.880
  524    H3'   DC  13           H3'       DC  13  23.230   9.995   6.731
  525    H2'   DC  13           H2'       DC  13  22.349  10.858   4.760
  526   H2''   DC  13          H2''       DC  13  22.867  12.405   5.459
  527    H1'   DC  13           H1'       DC  13  24.922  12.395   4.348
  528    H41   DC  13           H41       DC  13  22.249  11.748  -1.664
  529    H42   DC  13           H42       DC  13  23.451  13.043  -1.712
  530    H5    DC  13           H5        DC  13  21.754  10.511   0.397
  531    H6    DC  13           H6        DC  13  22.427  10.247   2.722
  532   HO5'   DC  13          H5T        DC  13  22.841   7.231   4.688
  533    H5'   DG  14           H5'       DG  14  25.870  14.203   6.971
  534   H5''   DG  14          H5''       DG  14  25.582  14.646   8.650
  535    H4'   DG  14           H4'       DG  14  25.887  16.664   7.553
  536    H3'   DG  14           H3'       DG  14  23.445  16.240   8.807
  537    H2'   DG  14           H2'       DG  14  22.195  15.853   6.869
  538   H2''   DG  14          H2''       DG  14  22.011  17.588   6.895
  539    H1'   DG  14           H1'       DG  14  23.702  17.971   5.346
  540    H8    DG  14           H8        DG  14  22.221  14.448   5.258
  541    H1    DG  14           H1        DG  14  22.442  17.460  -0.433
  542    H21   DG  14           H21       DG  14  23.920  19.959   1.401
  543    H22   DG  14           H22       DG  14  23.305  19.426  -0.167
  544    H5'   DC  15           H5'       DC  15  23.951  20.299   6.776
  545   H5''   DC  15          H5''       DC  15  23.234  21.702   7.576
  546    H4'   DC  15           H4'       DC  15  22.797  21.739   5.191
  547    H3'   DC  15           H3'       DC  15  20.462  21.419   7.024
  548    H2'   DC  15           H2'       DC  15  19.165  20.455   5.461
  549   H2''   DC  15          H2''       DC  15  19.510  21.744   4.283
  550    H1'   DC  15           H1'       DC  15  21.247  20.671   3.307
  551    H41   DC  15           H41       DC  15  18.539  14.654   3.076
  552    H42   DC  15           H42       DC  15  18.560  15.370   1.459
  553    H5    DC  15           H5        DC  15  19.221  15.965   5.052
  554    H6    DC  15           H6        DC  15  20.211  18.131   5.734
  555    H5'   DA  16           H5'       DA  16  20.572  23.870   3.348
  556   H5''   DA  16          H5''       DA  16  19.983  25.521   3.517
  557    H4'   DA  16           H4'       DA  16  19.446  24.814   1.343
  558    H3'   DA  16           H3'       DA  16  17.385  25.567   3.138
  559    H2'   DA  16           H2'       DA  16  16.532  23.431   3.331
  560   H2''   DA  16          H2''       DA  16  15.572  23.909   1.933
  561    H1'   DA  16           H1'       DA  16  17.136  22.963   0.372
  562    H8    DA  16           H8        DA  16  17.227  21.412   3.858
  563    H61   DA  16           H61       DA  16  15.769  16.100   0.878
  564    H62   DA  16           H62       DA  16  16.278  16.746   2.432
  565    H2    DA  16           H2        DA  16  15.572  19.321  -1.997
  566    H5'   DT  17           H5'       DT  17  15.906  24.930  -1.166
  567   H5''   DT  17          H5''       DT  17  14.818  26.210  -1.706
  568    H4'   DT  17           H4'       DT  17  13.952  24.125  -2.457
  569    H3'   DT  17           H3'       DT  17  12.396  25.732  -0.622
  570    H2'   DT  17           H2'       DT  17  12.130  24.054   0.908
  571   H2''   DT  17          H2''       DT  17  10.907  23.401  -0.192
  572    H1'   DT  17           H1'       DT  17  12.477  22.033  -1.352
  573    H3    DT  17           H3        DT  17  12.948  18.238   1.048
  574    H71   DT  17           H71       DT  17  13.791  22.455   4.379
  575    H72   DT  17           H72       DT  17  12.883  21.048   4.977
  576    H73   DT  17           H73       DT  17  14.622  20.906   4.686
  577    H6    DT  17           H6        DT  17  13.386  22.891   2.174
  578    H5'   DA  18           H5'       DA  18  10.388  22.480  -2.913
  579   H5''   DA  18          H5''       DA  18   9.023  23.085  -3.852
  580    H4'   DA  18           H4'       DA  18   8.363  20.958  -3.195
  581    H3'   DA  18           H3'       DA  18   6.941  23.108  -1.792
  582    H2'   DA  18           H2'       DA  18   7.418  22.299   0.257
  583   H2''   DA  18          H2''       DA  18   6.144  21.113  -0.093
  584    H1'   DA  18           H1'       DA  18   7.675  19.499  -0.851
  585    H8    DA  18           H8        DA  18   8.995  21.934   1.820
  586    H61   DA  18           H61       DA  18  10.989  16.555   4.465
  587    H62   DA  18           H62       DA  18  10.842  18.279   4.814
  588    H2    DA  18           H2        DA  18   9.610  15.669   0.539
  589    H5'   DT  19           H5'       DT  19   5.691  18.805  -2.336
  590   H5''   DT  19          H5''       DT  19   4.128  18.778  -3.163
  591    H4'   DT  19           H4'       DT  19   3.904  16.974  -1.688
  592    H3'   DT  19           H3'       DT  19   2.333  19.272  -0.990
  593    H2'   DT  19           H2'       DT  19   3.663  19.852   0.805
  594   H2''   DT  19          H2''       DT  19   2.531  18.749   1.646
  595    H1'   DT  19           H1'       DT  19   3.930  16.821   1.198
  596    H3    DT  19           H3        DT  19   6.940  16.406   4.473
  597    H71   DT  19           H71       DT  19   7.742  21.135   4.319
  598    H72   DT  19           H72       DT  19   6.468  21.691   3.219
  599    H73   DT  19           H73       DT  19   6.086  21.228   4.901
  600    H6    DT  19           H6        DT  19   5.382  20.132   1.863
  601    H5'   DA  20           H5'       DA  20  -1.328  15.398  -0.003
  602   H5''   DA  20          H5''       DA  20  -0.011  16.154   0.870
  603    H4'   DA  20           H4'       DA  20   0.090  13.210   0.112
  604    H3'   DA  20           H3'       DA  20  -1.869  14.353   1.709
  605    H2'   DA  20           H2'       DA  20  -0.440  15.428   3.163
  606   H2''   DA  20          H2''       DA  20  -0.583  13.909   4.065
  607    H1'   DA  20           H1'       DA  20   1.440  13.041   3.238
  608    H8    DA  20           H8        DA  20   1.703  16.804   2.339
  609    H61   DA  20           H61       DA  20   5.222  17.314   7.433
  610    H62   DA  20           H62       DA  20   4.490  18.210   6.102
  611    H2    DA  20           H2        DA  20   3.828  13.207   7.238
  612    H5'   DT  21           H5'       DT  21  -0.139  11.033   4.200
  613   H5''   DT  21          H5''       DT  21  -1.425   9.822   4.187
  614    H4'   DT  21           H4'       DT  21  -0.494   9.545   6.284
  615    H3'   DT  21           H3'       DT  21  -3.104  10.436   6.248
  616    H2'   DT  21           H2'       DT  21  -2.720  12.656   6.778
  617   H2''   DT  21          H2''       DT  21  -2.809  12.021   8.436
  618    H1'   DT  21           H1'       DT  21  -0.533  11.824   8.676
  619    H3    DT  21           H3        DT  21   1.892  15.621   9.048
  620    H71   DT  21           H71       DT  21  -1.729  16.316   5.017
  621    H72   DT  21           H72       DT  21  -1.327  17.648   6.118
  622    H73   DT  21           H73       DT  21  -0.140  17.121   4.919
  623    H6    DT  21           H6        DT  21  -1.575  14.222   5.975
  624    H5'   DG  22           H5'       DG  22  -1.105   9.529  10.324
  625   H5''   DG  22          H5''       DG  22  -2.206   8.674  11.425
  626    H4'   DG  22           H4'       DG  22  -0.971  10.230  12.719
  627    H3'   DG  22           H3'       DG  22  -3.818  10.501  12.559
  628    H2'   DG  22           H2'       DG  22  -3.693  12.574  11.510
  629   H2''   DG  22          H2''       DG  22  -3.561  13.157  13.191
  630    H1'   DG  22           H1'       DG  22  -1.152  13.054  13.122
  631    H8    DG  22           H8        DG  22  -2.902  13.873   9.805
  632    H1    DG  22           H1        DG  22   1.119  18.375  12.084
  633    H21   DG  22           H21       DG  22   1.503  16.117  14.646
  634    H22   DG  22           H22       DG  22   1.892  17.716  14.006
  635    H5'   DC  23           H5'       DC  23  -1.096  12.177  16.051
  636   H5''   DC  23          H5''       DC  23  -1.874  11.629  17.536
  637    H4'   DC  23           H4'       DC  23  -0.557  13.503  18.088
  638    H3'   DC  23           H3'       DC  23  -3.301  13.481  18.607
  639    H2'   DC  23           H2'       DC  23  -3.954  15.028  17.041
  640   H2''   DC  23          H2''       DC  23  -3.494  16.219  18.240
  641    H1'   DC  23           H1'       DC  23  -1.392  16.600  17.354
  642    H41   DC  23           H41       DC  23  -3.822  17.610  11.279
  643    H42   DC  23           H42       DC  23  -2.800  18.976  11.737
  644    H5    DC  23           H5        DC  23  -4.163  15.710  12.778
  645    H6    DC  23           H6        DC  23  -3.503  14.787  14.988
  646    H5'   DG  24           H5'       DG  24  -1.485  17.284  20.445
  647   H5''   DG  24          H5''       DG  24  -2.205  17.713  21.997
  648    H4'   DG  24           H4'       DG  24  -2.243  19.659  20.651
  649    H3'   DG  24           H3'       DG  24  -4.978  18.391  20.813
  650   HO3'   DG  24          H3T        DG  24  -4.255  19.550  22.680
  651    H2'   DG  24           H2'       DG  24  -5.758  19.628  19.121
  652   H2''   DG  24          H2''       DG  24  -4.981  21.117  19.716
  653    H1'   DG  24           H1'       DG  24  -3.084  20.810  18.468
  654    H8    DG  24           H8        DG  24  -5.251  17.852  17.326
  655    H1    DG  24           H1        DG  24  -4.086  22.437  12.932
  656    H21   DG  24           H21       DG  24  -2.332  23.854  15.543
  657    H22   DG  24           H22       DG  24  -2.916  24.041  13.890
  Start of MODEL   16
    1    H    ALA  79           H1       ALA  79  -1.765   6.375   9.108
    2    HA   ALA  79           HA       ALA  79   1.125   5.801   9.444
    3    HB1  ALA  79           HB1      ALA  79  -0.273   3.775   9.383
    4    HB2  ALA  79           HB2      ALA  79  -1.134   4.390   7.955
    5    HB3  ALA  79           HB3      ALA  79   0.595   3.936   7.842
    6    H    ARG  80           H        ARG  80   2.390   5.938   7.563
    7    HA   ARG  80           HA       ARG  80   1.942   8.210   5.841
    8    HB2  ARG  80           HB2      ARG  80   4.057   6.034   5.857
    9    HB3  ARG  80           HB3      ARG  80   4.107   7.427   4.771
   10    HG2  ARG  80           HG2      ARG  80   3.817   7.806   7.764
   11    HG3  ARG  80           HG3      ARG  80   5.411   7.571   7.030
   12    HD2  ARG  80           HD2      ARG  80   5.340   9.610   5.889
   13    HD3  ARG  80           HD3      ARG  80   3.584   9.681   5.916
   14    HE   ARG  80           HE       ARG  80   5.448  10.365   8.140
   15   HH11  ARG  80          HH11      ARG  80   2.113  10.435   6.971
   16   HH12  ARG  80          HH12      ARG  80   1.644  11.501   8.260
   17   HH21  ARG  80          HH22      ARG  80   4.649  11.925   9.590
   18   HH22  ARG  80          HH21      ARG  80   2.923  12.195   9.670
   19    H    LYS  81           H        LYS  81  -0.259   7.166   5.268
   20    HA   LYS  81           HA       LYS  81  -0.702   5.209   3.314
   21    HB2  LYS  81           HB2      LYS  81  -2.158   7.770   4.109
   22    HB3  LYS  81           HB3      LYS  81  -2.817   6.645   2.938
   23    HG2  LYS  81           HG2      LYS  81  -3.278   5.009   4.488
   24    HG3  LYS  81           HG3      LYS  81  -2.009   5.528   5.624
   25    HD2  LYS  81           HD2      LYS  81  -3.269   7.442   6.326
   26    HD3  LYS  81           HD3      LYS  81  -4.520   7.168   5.098
   27    HE2  LYS  81           HE2      LYS  81  -5.250   5.121   6.143
   28    HE3  LYS  81           HE3      LYS  81  -3.850   5.079   7.217
   29    HZ1  LYS  81           HZ1      LYS  81  -5.881   5.907   8.335
   30    HZ2  LYS  81           HZ2      LYS  81  -4.670   7.013   8.375
   31    HZ3  LYS  81           HZ3      LYS  81  -5.922   7.212   7.339
   32    H    VAL  82           H        VAL  82  -0.476   5.107   1.347
   33    HA   VAL  82           HA       VAL  82   0.749   7.107  -0.385
   34    HB   VAL  82           HB       VAL  82  -0.548   4.416  -0.989
   35   HG11  VAL  82          HG11      VAL  82  -0.622   5.594  -3.049
   36   HG12  VAL  82          HG12      VAL  82   1.016   6.270  -2.829
   37   HG13  VAL  82          HG13      VAL  82   0.783   4.538  -3.142
   38   HG21  VAL  82          HG21      VAL  82   1.465   4.296   0.450
   39   HG22  VAL  82          HG22      VAL  82   1.689   3.536  -1.134
   40   HG23  VAL  82          HG23      VAL  82   2.386   5.138  -0.823
   41    H    LYS  83           H        LYS  83  -0.193   8.543  -1.709
   42    HA   LYS  83           HA       LYS  83  -3.073   8.250  -2.368
   43    HB2  LYS  83           HB2      LYS  83  -1.382  10.690  -1.937
   44    HB3  LYS  83           HB3      LYS  83  -2.536  10.715  -3.292
   45    HG2  LYS  83           HG2      LYS  83  -4.389  10.153  -1.854
   46    HG3  LYS  83           HG3      LYS  83  -3.328  10.084  -0.429
   47    HD2  LYS  83           HD2      LYS  83  -2.857  12.453  -0.567
   48    HD3  LYS  83           HD3      LYS  83  -3.519  12.551  -2.202
   49    HE2  LYS  83           HE2      LYS  83  -5.169  13.543  -0.839
   50    HE3  LYS  83           HE3      LYS  83  -5.786  11.968  -1.330
   51    HZ1  LYS  83           HZ1      LYS  83  -4.706  12.756   1.344
   52    HZ2  LYS  83           HZ2      LYS  83  -6.198  12.163   1.009
   53    HZ3  LYS  83           HZ3      LYS  83  -4.840  11.203   0.963
   54    H    GLN  84           H        GLN  84  -3.482   7.698  -4.399
   55    HA   GLN  84           HA       GLN  84  -1.296   7.660  -6.386
   56    HB2  GLN  84           HB2      GLN  84  -2.250   5.674  -6.869
   57    HB3  GLN  84           HB3      GLN  84  -3.747   6.041  -6.004
   58    HG2  GLN  84           HG2      GLN  84  -4.538   7.308  -7.943
   59    HG3  GLN  84           HG3      GLN  84  -3.023   6.947  -8.821
   60   HE21  GLN  84          HE21      GLN  84  -2.552   4.482  -9.111
   61   HE22  GLN  84          HE22      GLN  84  -3.964   3.471  -9.354
   62    H    TYR  85           H        TYR  85  -1.537   8.983  -8.134
   63    HA   TYR  85           HA       TYR  85  -3.860  10.872  -8.221
   64    HB2  TYR  85           HB2      TYR  85  -0.966  11.632  -8.770
   65    HB3  TYR  85           HB3      TYR  85  -2.369  12.684  -8.850
   66    HD1  TYR  85           HD1      TYR  85  -3.501  13.482  -6.848
   67    HD2  TYR  85           HD2      TYR  85   0.096  11.133  -6.612
   68    HE1  TYR  85           HE1      TYR  85  -3.124  14.316  -4.522
   69    HE2  TYR  85           HE2      TYR  85   0.491  11.941  -4.299
   70    HH   TYR  85           HH       TYR  85  -0.235  13.408  -2.623
   71    H    LYS  86           H        LYS  86  -4.634  11.217 -10.315
   72    HA   LYS  86           HA       LYS  86  -3.171  10.015 -12.628
   73    HB2  LYS  86           HB2      LYS  86  -4.825   8.389 -11.926
   74    HB3  LYS  86           HB3      LYS  86  -6.090   9.622 -11.838
   75    HG2  LYS  86           HG2      LYS  86  -6.130   9.912 -14.230
   76    HG3  LYS  86           HG3      LYS  86  -4.646   8.961 -14.444
   77    HD2  LYS  86           HD2      LYS  86  -5.840   6.947 -13.550
   78    HD3  LYS  86           HD3      LYS  86  -7.329   7.914 -13.437
   79    HE2  LYS  86           HE2      LYS  86  -7.172   8.361 -15.906
   80    HE3  LYS  86           HE3      LYS  86  -5.729   7.343 -15.984
   81    HZ1  LYS  86           HZ1      LYS  86  -8.437   6.398 -15.168
   82    HZ2  LYS  86           HZ2      LYS  86  -7.737   6.094 -16.608
   83    HZ3  LYS  86           HZ3      LYS  86  -7.103   5.451 -15.249
   84    H    ASN  87           H        ASN  87  -3.206  11.233 -14.439
   85    HA   ASN  87           HA       ASN  87  -4.409  13.947 -14.165
   86    HB2  ASN  87           HB2      ASN  87  -2.027  13.677 -14.320
   87    HB3  ASN  87           HB3      ASN  87  -2.162  12.910 -15.895
   88   HD21  ASN  87          HD22      ASN  87  -0.700  15.336 -15.219
   89   HD22  ASN  87          HD21      ASN  87  -1.484  16.647 -16.097
   90    HA   PRO  88           HA       PRO  88  -7.509  12.681 -17.272
   91    HB2  PRO  88           HB2      PRO  88  -8.100  15.628 -16.970
   92    HB3  PRO  88           HB3      PRO  88  -9.243  14.251 -17.062
   93    HG2  PRO  88           HG2      PRO  88  -8.656  15.386 -14.667
   94    HG3  PRO  88           HG3      PRO  88  -8.756  13.603 -14.808
   95    HD2  PRO  88           HD2      PRO  88  -6.296  15.351 -14.780
   96    HD3  PRO  88           HD3      PRO  88  -6.613  13.802 -13.950
   97    H    HIS  89           H        HIS  89  -5.137  15.299 -17.563
   98    HA   HIS  89           HA       HIS  89  -5.780  15.857 -20.391
   99    HB2  HIS  89           HB2      HIS  89  -3.593  16.998 -18.604
  100    HB3  HIS  89           HB3      HIS  89  -4.135  17.639 -20.152
  101    HD1  HIS  89           HD1      HIS  89  -6.720  18.689 -20.144
  102    HD2  HIS  89           HD2      HIS  89  -4.913  17.758 -16.439
  103    HE1  HIS  89           HE1      HIS  89  -8.098  19.908 -18.341
  104    HE2  HIS  89           HE2      HIS  89  -6.987  19.349 -16.089
  105    H    THR  90           H        THR  90  -3.477  13.857 -18.684
  106    HA   THR  90           HA       THR  90  -1.902  13.428 -21.208
  107    HB   THR  90           HB       THR  90   0.055  13.132 -19.845
  108    HG1  THR  90           HG1      THR  90  -0.084  13.434 -17.614
  109   HG21  THR  90          HG21      THR  90  -0.605  15.516 -20.377
  110   HG22  THR  90          HG22      THR  90  -1.389  15.585 -18.778
  111   HG23  THR  90          HG23      THR  90   0.367  15.337 -18.898
  112    H    GLY  91           H        GLY  91  -3.672  11.771 -18.667
  113    HA2  GLY  91           HA2      GLY  91  -4.165   9.529 -18.423
  114    HA3  GLY  91           HA3      GLY  91  -3.272   9.160 -19.897
  115    H    GLU  92           H        GLU  92  -1.447  10.964 -17.541
  116    HA   GLU  92           HA       GLU  92   0.324   8.754 -16.868
  117    HB2  GLU  92           HB2      GLU  92   0.154  11.676 -16.051
  118    HB3  GLU  92           HB3      GLU  92   1.403  10.548 -15.498
  119    HG2  GLU  92           HG2      GLU  92   2.305  10.293 -17.683
  120    HG3  GLU  92           HG3      GLU  92   1.027  11.282 -18.413
  121    H    VAL  93           H        VAL  93   0.451   7.941 -14.871
  122    HA   VAL  93           HA       VAL  93  -1.285   8.849 -12.642
  123    HB   VAL  93           HB       VAL  93  -0.530   6.011 -13.284
  124   HG11  VAL  93          HG11      VAL  93  -2.563   7.095 -11.254
  125   HG12  VAL  93          HG12      VAL  93  -2.345   5.386 -11.647
  126   HG13  VAL  93          HG13      VAL  93  -1.046   6.257 -10.859
  127   HG21  VAL  93          HG21      VAL  93  -2.086   6.749 -15.011
  128   HG22  VAL  93          HG22      VAL  93  -2.954   5.678 -13.899
  129   HG23  VAL  93          HG23      VAL  93  -3.160   7.444 -13.784
  130    H    ILE  94           H        ILE  94  -0.415   8.440 -10.610
  131    HA   ILE  94           HA       ILE  94   2.399   7.679 -10.227
  132    HB   ILE  94           HB       ILE  94   1.873   9.947  -8.523
  133   HG12  ILE  94          HG12      ILE  94   1.854  10.817 -11.432
  134   HG13  ILE  94          HG13      ILE  94   0.442  10.828 -10.359
  135   HG21  ILE  94          HG21      ILE  94   4.075   8.882  -9.126
  136   HG22  ILE  94          HG22      ILE  94   3.976   9.738 -10.696
  137   HG23  ILE  94          HG23      ILE  94   4.049  10.635  -9.151
  138   HD11  ILE  94          HD11      ILE  94   1.341  13.041 -10.328
  139   HD12  ILE  94          HD12      ILE  94   1.712  12.280  -8.761
  140   HD13  ILE  94          HD13      ILE  94   2.976  12.440 -10.010
  141    H    GLU  95           H        GLU  95   2.884   7.596  -7.921
  142    HA   GLU  95           HA       GLU  95   0.707   7.336  -5.955
  143    HB2  GLU  95           HB2      GLU  95   2.557   5.133  -6.900
  144    HB3  GLU  95           HB3      GLU  95   1.936   5.137  -5.227
  145    HG2  GLU  95           HG2      GLU  95  -0.337   5.049  -5.978
  146    HG3  GLU  95           HG3      GLU  95   0.135   5.211  -7.673
  147    H    THR  96           H        THR  96   1.413   8.540  -4.265
  148    HA   THR  96           HA       THR  96   4.237   8.353  -3.364
  149    HB   THR  96           HB       THR  96   4.873  10.467  -3.716
  150    HG1  THR  96           HG1      THR  96   3.553  12.255  -3.441
  151   HG21  THR  96          HG21      THR  96   2.490  10.672  -5.617
  152   HG22  THR  96          HG22      THR  96   3.963  11.677  -5.645
  153   HG23  THR  96          HG23      THR  96   4.068   9.965  -6.045
  154    H    LYS  97           H        LYS  97   4.526   8.942  -1.137
  155    HA   LYS  97           HA       LYS  97   1.998   8.930   0.481
  156    HB2  LYS  97           HB2      LYS  97   4.874   8.730   1.355
  157    HB3  LYS  97           HB3      LYS  97   3.465   8.375   2.349
  158    HG2  LYS  97           HG2      LYS  97   2.952   6.387   1.076
  159    HG3  LYS  97           HG3      LYS  97   4.150   6.779  -0.158
  160    HD2  LYS  97           HD2      LYS  97   5.910   6.649   1.736
  161    HD3  LYS  97           HD3      LYS  97   4.646   5.875   2.688
  162    HE2  LYS  97           HE2      LYS  97   5.960   4.139   1.720
  163    HE3  LYS  97           HE3      LYS  97   4.424   4.145   0.847
  164    HZ1  LYS  97           HZ1      LYS  97   6.935   5.455  -0.142
  165    HZ2  LYS  97           HZ2      LYS  97   6.396   3.988  -0.640
  166    HZ3  LYS  97           HZ3      LYS  97   5.550   5.351  -0.976
  167    H    GLY  98           H        GLY  98   3.455  11.269  -1.027
  168    HA2  GLY  98           HA2      GLY  98   2.871  13.613  -0.311
  169    HA3  GLY  98           HA3      GLY  98   3.739  13.253   1.184
  170    H    GLY  99           H        GLY  99   4.890  15.161   0.538
  171    HA2  GLY  99           HA2      GLY  99   6.905  16.057   0.196
  172    HA3  GLY  99           HA3      GLY  99   7.486  14.484  -0.315
  173    H    ASN 100           H        ASN 100   8.576  16.681  -1.245
  174    HA   ASN 100           HA       ASN 100   7.954  17.608  -3.852
  175    HB2  ASN 100           HB2      ASN 100   9.621  18.717  -2.565
  176    HB3  ASN 100           HB3      ASN 100  10.390  17.224  -2.113
  177   HD21  ASN 100          HD22      ASN 100  12.258  18.584  -2.585
  178   HD22  ASN 100          HD21      ASN 100  12.969  18.219  -4.141
  179    H    HIS 101           H        HIS 101   7.224  16.121  -5.288
  180    HA   HIS 101           HA       HIS 101   9.094  13.983  -6.192
  181    HB2  HIS 101           HB2      HIS 101   7.188  13.084  -4.803
  182    HB3  HIS 101           HB3      HIS 101   6.064  13.687  -6.016
  183    HD1  HIS 101           HD1      HIS 101   8.986  11.095  -5.686
  184    HD2  HIS 101           HD2      HIS 101   5.697  12.131  -8.146
  185    HE1  HIS 101           HE1      HIS 101   8.738   9.212  -7.399
  186    HE2  HIS 101           HE2      HIS 101   6.756   9.834  -8.907
  187    H    LYS 102           H        LYS 102   9.515  14.030  -8.357
  188    HA   LYS 102           HA       LYS 102   9.230  16.369  -9.776
  189    HB2  LYS 102           HB2      LYS 102  10.851  14.529 -10.110
  190    HB3  LYS 102           HB3      LYS 102   9.663  13.723 -11.150
  191    HG2  LYS 102           HG2      LYS 102   9.546  15.719 -12.600
  192    HG3  LYS 102           HG3      LYS 102  10.609  16.624 -11.507
  193    HD2  LYS 102           HD2      LYS 102  11.395  14.119 -13.010
  194    HD3  LYS 102           HD3      LYS 102  11.732  15.786 -13.529
  195    HE2  LYS 102           HE2      LYS 102  13.031  16.166 -11.426
  196    HE3  LYS 102           HE3      LYS 102  12.755  14.485 -10.957
  197    HZ1  LYS 102           HZ1      LYS 102  14.292  15.375 -13.337
  198    HZ2  LYS 102           HZ2      LYS 102  14.883  14.688 -11.961
  199    HZ3  LYS 102           HZ3      LYS 102  13.961  13.807 -12.987
  200    H    THR 103           H        THR 103   7.364  13.508 -10.992
  201    HA   THR 103           HA       THR 103   5.896  15.057 -12.845
  202    HB   THR 103           HB       THR 103   4.945  12.481 -11.550
  203    HG1  THR 103           HG1      THR 103   6.041  11.542 -13.321
  204   HG21  THR 103          HG21      THR 103   3.159  13.420 -12.813
  205   HG22  THR 103          HG22      THR 103   4.244  13.993 -14.086
  206   HG23  THR 103          HG23      THR 103   3.894  12.251 -13.921
  207    H    LEU 104           H        LEU 104   5.054  14.269  -9.484
  208    HA   LEU 104           HA       LEU 104   2.419  15.356  -9.464
  209    HB2  LEU 104           HB2      LEU 104   3.409  13.829  -7.756
  210    HB3  LEU 104           HB3      LEU 104   4.495  15.111  -7.237
  211    HG   LEU 104           HG       LEU 104   2.614  16.431  -6.404
  212   HD11  LEU 104          HD11      LEU 104   0.828  15.726  -7.957
  213   HD12  LEU 104          HD12      LEU 104   0.882  14.077  -7.299
  214   HD13  LEU 104          HD13      LEU 104   0.337  15.418  -6.284
  215   HD21  LEU 104          HD21      LEU 104   1.974  14.972  -4.548
  216   HD22  LEU 104          HD22      LEU 104   2.475  13.542  -5.453
  217   HD23  LEU 104          HD23      LEU 104   3.688  14.748  -4.930
  218    H    LYS 105           H        LYS 105   5.607  16.924  -8.971
  219    HA   LYS 105           HA       LYS 105   4.516  19.525  -8.321
  220    HB2  LYS 105           HB2      LYS 105   6.791  18.866  -7.655
  221    HB3  LYS 105           HB3      LYS 105   7.258  18.659  -9.331
  222    HG2  LYS 105           HG2      LYS 105   8.157  20.740  -8.498
  223    HG3  LYS 105           HG3      LYS 105   7.001  21.047  -9.777
  224    HD2  LYS 105           HD2      LYS 105   6.640  22.710  -8.130
  225    HD3  LYS 105           HD3      LYS 105   5.273  21.610  -7.976
  226    HE2  LYS 105           HE2      LYS 105   6.479  20.474  -6.047
  227    HE3  LYS 105           HE3      LYS 105   7.785  21.656  -6.234
  228    HZ1  LYS 105           HZ1      LYS 105   4.988  22.175  -5.360
  229    HZ2  LYS 105           HZ2      LYS 105   6.336  22.450  -4.530
  230    HZ3  LYS 105           HZ3      LYS 105   6.003  23.410  -5.824
  231    H    GLU 106           H        GLU 106   5.334  17.944 -11.417
  232    HA   GLU 106           HA       GLU 106   5.198  20.349 -12.977
  233    HB2  GLU 106           HB2      GLU 106   4.485  17.564 -13.921
  234    HB3  GLU 106           HB3      GLU 106   4.851  18.975 -14.929
  235    HG2  GLU 106           HG2      GLU 106   6.768  17.901 -12.911
  236    HG3  GLU 106           HG3      GLU 106   6.638  17.153 -14.496
  237    H    TRP 107           H        TRP 107   2.911  17.794 -12.246
  238    HA   TRP 107           HA       TRP 107   0.652  18.918 -13.589
  239    HB2  TRP 107           HB2      TRP 107   0.634  17.273 -11.044
  240    HB3  TRP 107           HB3      TRP 107  -0.760  17.616 -12.071
  241    HD1  TRP 107           HD1      TRP 107   1.973  16.737 -14.394
  242    HE1  TRP 107           HE1      TRP 107   1.756  14.267 -15.122
  243    HE3  TRP 107           HE3      TRP 107  -1.523  15.160 -10.999
  244    HZ2  TRP 107           HZ2      TRP 107   0.737  11.859 -13.937
  245    HZ3  TRP 107           HZ3      TRP 107  -2.226  12.790 -10.978
  246    HH2  TRP 107           HH2      TRP 107  -1.036  11.109 -12.388
  247    H    LYS 108           H        LYS 108   1.798  19.628 -10.267
  248    HA   LYS 108           HA       LYS 108  -0.330  21.498  -9.646
  249    HB2  LYS 108           HB2      LYS 108   2.534  21.298  -8.601
  250    HB3  LYS 108           HB3      LYS 108   1.325  22.444  -8.001
  251    HG2  LYS 108           HG2      LYS 108  -0.177  20.517  -7.444
  252    HG3  LYS 108           HG3      LYS 108   1.118  19.412  -7.898
  253    HD2  LYS 108           HD2      LYS 108   2.625  20.603  -6.240
  254    HD3  LYS 108           HD3      LYS 108   1.216  21.530  -5.698
  255    HE2  LYS 108           HE2      LYS 108   0.052  19.283  -5.237
  256    HE3  LYS 108           HE3      LYS 108   1.570  18.489  -5.656
  257    HZ1  LYS 108           HZ1      LYS 108   1.063  20.256  -3.339
  258    HZ2  LYS 108           HZ2      LYS 108   1.643  18.708  -3.361
  259    HZ3  LYS 108           HZ3      LYS 108   2.588  19.992  -3.861
  260    H    ALA 109           H        ALA 109   2.766  21.860 -11.414
  261    HA   ALA 109           HA       ALA 109   2.726  24.715 -11.538
  262    HB1  ALA 109           HB1      ALA 109   3.978  22.725 -13.508
  263    HB2  ALA 109           HB2      ALA 109   4.427  24.406 -13.261
  264    HB3  ALA 109           HB3      ALA 109   4.721  23.209 -11.968
  265    H    LYS 110           H        LYS 110   1.834  22.161 -13.824
  266    HA   LYS 110           HA       LYS 110   1.042  23.820 -15.843
  267    HB2  LYS 110           HB2      LYS 110   0.790  20.873 -15.307
  268    HB3  LYS 110           HB3      LYS 110   0.134  21.557 -16.807
  269    HG2  LYS 110           HG2      LYS 110   2.366  22.489 -17.366
  270    HG3  LYS 110           HG3      LYS 110   3.032  21.832 -15.872
  271    HD2  LYS 110           HD2      LYS 110   3.687  20.292 -17.535
  272    HD3  LYS 110           HD3      LYS 110   2.344  19.522 -16.697
  273    HE2  LYS 110           HE2      LYS 110   1.894  19.131 -18.980
  274    HE3  LYS 110           HE3      LYS 110   0.818  20.463 -18.548
  275    HZ1  LYS 110           HZ1      LYS 110   1.975  20.855 -20.670
  276    HZ2  LYS 110           HZ2      LYS 110   2.430  21.998 -19.601
  277    HZ3  LYS 110           HZ3      LYS 110   3.436  20.758 -19.952
  278    H    TRP 111           H        TRP 111  -0.968  22.223 -13.423
  279    HA   TRP 111           HA       TRP 111  -3.412  23.591 -14.525
  280    HB2  TRP 111           HB2      TRP 111  -3.264  20.768 -13.425
  281    HB3  TRP 111           HB3      TRP 111  -4.718  21.607 -13.964
  282    HD1  TRP 111           HD1      TRP 111  -4.905  22.117 -16.650
  283    HE1  TRP 111           HE1      TRP 111  -3.919  20.910 -18.688
  284    HE3  TRP 111           HE3      TRP 111  -1.347  19.347 -14.278
  285    HZ2  TRP 111           HZ2      TRP 111  -1.779  19.032 -19.230
  286    HZ3  TRP 111           HZ3      TRP 111   0.259  17.944 -15.599
  287    HH2  TRP 111           HH2      TRP 111   0.010  17.728 -18.042
  288    H    GLY 112           H        GLY 112  -2.122  22.047 -11.512
  289    HA2  GLY 112           HA2      GLY 112  -1.981  23.978  -9.786
  290    HA3  GLY 112           HA3      GLY 112  -3.728  24.034  -9.905
  291    HA   PRO 113           HA       PRO 113  -2.181  20.758  -6.746
  292    HB2  PRO 113           HB2      PRO 113  -2.548  22.158  -4.376
  293    HB3  PRO 113           HB3      PRO 113  -1.007  21.978  -5.248
  294    HG2  PRO 113           HG2      PRO 113  -2.949  24.284  -5.335
  295    HG3  PRO 113           HG3      PRO 113  -1.149  24.327  -5.244
  296    HD2  PRO 113           HD2      PRO 113  -2.496  24.727  -7.570
  297    HD3  PRO 113           HD3      PRO 113  -0.931  23.856  -7.530
  298    H    GLU 114           H        GLU 114  -4.904  23.100  -6.651
  299    HA   GLU 114           HA       GLU 114  -6.718  21.568  -5.086
  300    HB2  GLU 114           HB2      GLU 114  -7.462  23.279  -7.470
  301    HB3  GLU 114           HB3      GLU 114  -8.398  22.922  -5.991
  302    HG2  GLU 114           HG2      GLU 114  -6.606  24.217  -4.711
  303    HG3  GLU 114           HG3      GLU 114  -5.934  24.661  -6.290
  304    H    ALA 115           H        ALA 115  -6.145  21.724  -8.526
  305    HA   ALA 115           HA       ALA 115  -8.045  19.838  -9.458
  306    HB1  ALA 115           HB1      ALA 115  -6.818  19.919 -11.505
  307    HB2  ALA 115           HB2      ALA 115  -6.641  21.538 -10.775
  308    HB3  ALA 115           HB3      ALA 115  -5.301  20.343 -10.699
  309    H    VAL 116           H        VAL 116  -4.565  19.525  -8.865
  310    HA   VAL 116           HA       VAL 116  -4.227  16.886  -9.396
  311    HB   VAL 116           HB       VAL 116  -2.746  18.863  -7.672
  312   HG11  VAL 116          HG11      VAL 116  -2.072  16.708  -6.715
  313   HG12  VAL 116          HG12      VAL 116  -1.704  16.087  -8.341
  314   HG13  VAL 116          HG13      VAL 116  -0.771  17.439  -7.643
  315   HG21  VAL 116          HG21      VAL 116  -1.230  18.905  -9.577
  316   HG22  VAL 116          HG22      VAL 116  -2.092  17.528 -10.325
  317   HG23  VAL 116          HG23      VAL 116  -2.885  19.106 -10.195
  318    H    GLU 117           H        GLU 117  -4.882  18.322  -6.164
  319    HA   GLU 117           HA       GLU 117  -4.882  15.789  -4.756
  320    HB2  GLU 117           HB2      GLU 117  -6.090  18.523  -4.104
  321    HB3  GLU 117           HB3      GLU 117  -6.141  17.136  -3.015
  322    HG2  GLU 117           HG2      GLU 117  -3.666  17.044  -2.982
  323    HG3  GLU 117           HG3      GLU 117  -3.587  18.459  -4.038
  324    H    SER 118           H        SER 118  -7.399  17.627  -6.503
  325    HA   SER 118           HA       SER 118  -9.646  16.119  -5.477
  326    HB2  SER 118           HB2      SER 118  -9.839  18.360  -6.529
  327    HB3  SER 118           HB3      SER 118  -9.422  17.645  -8.099
  328    HG   SER 118           HG       SER 118 -11.721  17.840  -7.731
  329    H    TRP 119           H        TRP 119  -7.440  15.656  -8.218
  330    HA   TRP 119           HA       TRP 119  -8.825  13.393  -9.362
  331    HB2  TRP 119           HB2      TRP 119  -5.874  14.054  -9.575
  332    HB3  TRP 119           HB3      TRP 119  -6.849  13.074 -10.655
  333    HD1  TRP 119           HD1      TRP 119  -9.197  15.459 -10.841
  334    HE1  TRP 119           HE1      TRP 119  -8.739  17.416 -12.431
  335    HE3  TRP 119           HE3      TRP 119  -4.134  14.902 -11.366
  336    HZ2  TRP 119           HZ2      TRP 119  -6.454  18.618 -13.733
  337    HZ3  TRP 119           HZ3      TRP 119  -2.846  16.451 -12.829
  338    HH2  TRP 119           HH2      TRP 119  -3.990  18.309 -14.004
  339    H    ALA 120           H        ALA 120  -7.059  13.549  -6.379
  340    HA   ALA 120           HA       ALA 120  -5.592  11.170  -6.674
  341    HB1  ALA 120           HB1      ALA 120  -6.362  12.379  -4.007
  342    HB2  ALA 120           HB2      ALA 120  -4.892  11.470  -4.448
  343    HB3  ALA 120           HB3      ALA 120  -5.153  13.123  -5.074
  344    H    THR 121           H        THR 121  -5.608   9.565  -5.178
  345    HA   THR 121           HA       THR 121  -8.123   8.077  -4.386
  346    HB   THR 121           HB       THR 121  -5.782   7.083  -6.035
  347    HG1  THR 121           HG1      THR 121  -7.376   6.819  -7.676
  348   HG21  THR 121          HG21      THR 121  -6.669   5.270  -4.667
  349   HG22  THR 121          HG22      THR 121  -8.339   5.815  -4.988
  350   HG23  THR 121          HG23      THR 121  -7.361   5.049  -6.275
  351    H    LEU 122           H        LEU 122  -7.778   6.769  -2.602
  352    HA   LEU 122           HA       LEU 122  -5.149   7.134  -1.197
  353    HB2  LEU 122           HB2      LEU 122  -7.396   8.105  -0.340
  354    HB3  LEU 122           HB3      LEU 122  -7.773   6.456   0.144
  355    HG   LEU 122           HG       LEU 122  -5.327   8.077   1.006
  356   HD11  LEU 122          HD11      LEU 122  -6.456   8.243   3.183
  357   HD12  LEU 122          HD12      LEU 122  -7.492   8.909   1.915
  358   HD13  LEU 122          HD13      LEU 122  -7.831   7.295   2.570
  359   HD21  LEU 122          HD21      LEU 122  -5.187   6.278   2.838
  360   HD22  LEU 122          HD22      LEU 122  -6.235   5.289   1.795
  361   HD23  LEU 122          HD23      LEU 122  -4.633   5.842   1.226
  362    H    LEU 123           H        LEU 123  -3.919   5.480  -0.952
  363    HA   LEU 123           HA       LEU 123  -4.899   2.696  -1.363
  364    HB2  LEU 123           HB2      LEU 123  -2.287   4.029  -2.217
  365    HB3  LEU 123           HB3      LEU 123  -2.691   2.329  -2.441
  366    HG   LEU 123           HG       LEU 123  -4.087   4.730  -3.718
  367   HD11  LEU 123          HD11      LEU 123  -2.221   2.574  -4.791
  368   HD12  LEU 123          HD12      LEU 123  -3.073   3.761  -5.790
  369   HD13  LEU 123          HD13      LEU 123  -1.871   4.297  -4.592
  370   HD21  LEU 123          HD21      LEU 123  -4.559   1.740  -4.132
  371   HD22  LEU 123          HD22      LEU 123  -5.722   2.889  -3.437
  372   HD23  LEU 123          HD23      LEU 123  -5.253   3.041  -5.131
  373    H    GLY 124           H        GLY 124  -4.489   1.302   0.113
  374    HA2  GLY 124           HA2      GLY 124  -3.411   2.074   2.673
  375    HA3  GLY 124           HA3      GLY 124  -4.029   0.486   2.219
  376    H    HIS 125           H        HIS 125  -1.818   0.626  -0.035
  377    HA   HIS 125           HA       HIS 125   0.666   0.194   1.470
  378    HB2  HIS 125           HB2      HIS 125  -0.535  -1.897   1.660
  379    HB3  HIS 125           HB3      HIS 125  -0.623  -2.043  -0.103
  380    HD1  HIS 125           HD1      HIS 125   2.660  -1.008  -0.131
  381    HD2  HIS 125           HD2      HIS 125   0.751  -4.314   1.662
  382    HE1  HIS 125           HE1      HIS 125   4.498  -2.810   0.225
  383    HE2  HIS 125           HE2      HIS 125   3.312  -4.823   1.318
  384    H5'   DC   1           H5'       DC   1  -4.667  29.028   7.510
  385   H5''   DC   1          H5''       DC   1  -3.279  29.816   6.774
  386    H4'   DC   1           H4'       DC   1  -2.974  29.787   9.141
  387    H3'   DC   1           H3'       DC   1  -1.126  28.645   7.383
  388    H2'   DC   1           H2'       DC   1  -1.261  26.485   7.984
  389   H2''   DC   1          H2''       DC   1  -0.277  26.912   9.371
  390    H1'   DC   1           H1'       DC   1  -2.034  27.120  10.833
  391    H41   DC   1           H41       DC   1  -4.889  21.441   8.953
  392    H42   DC   1           H42       DC   1  -4.783  21.469  10.716
  393    H5    DC   1           H5        DC   1  -4.055  23.322   7.577
  394    H6    DC   1           H6        DC   1  -3.082  25.538   7.709
  395   HO5'   DC   1          H5T        DC   1  -3.929  27.890   5.611
  396    H5'   DG   2           H5'       DG   2   0.222  29.023  11.943
  397   H5''   DG   2          H5''       DG   2   1.801  29.805  11.964
  398    H4'   DG   2           H4'       DG   2   1.821  28.297  13.754
  399    H3'   DG   2           H3'       DG   2   3.695  27.928  11.689
  400    H2'   DG   2           H2'       DG   2   2.683  26.015  10.845
  401   H2''   DG   2          H2''       DG   2   3.735  25.221  12.028
  402    H1'   DG   2           H1'       DG   2   2.018  25.149  13.691
  403    H8    DG   2           H8        DG   2   0.803  25.195  10.059
  404    H1    DG   2           H1        DG   2  -1.206  20.158  13.537
  405    H21   DG   2           H21       DG   2   0.626  21.669  16.020
  406    H22   DG   2           H22       DG   2  -0.361  20.290  15.527
  407    H5'   DC   3           H5'       DC   3   4.092  25.490  15.715
  408   H5''   DC   3          H5''       DC   3   5.778  25.458  16.234
  409    H4'   DC   3           H4'       DC   3   4.701  23.417  16.903
  410    H3'   DC   3           H3'       DC   3   6.960  23.361  15.066
  411    H2'   DC   3           H2'       DC   3   6.160  21.839  13.609
  412   H2''   DC   3          H2''       DC   3   6.110  20.639  14.901
  413    H1'   DC   3           H1'       DC   3   3.901  20.926  15.358
  414    H41   DC   3           H41       DC   3   1.823  21.420   9.094
  415    H42   DC   3           H42       DC   3   1.172  19.960   9.842
  416    H5    DC   3           H5        DC   3   3.450  22.837  10.287
  417    H6    DC   3           H6        DC   3   4.528  23.162  12.506
  418    H5'   DA   4           H5'       DA   4   6.115  19.599  17.399
  419   H5''   DA   4          H5''       DA   4   7.536  18.901  18.177
  420    H4'   DA   4           H4'       DA   4   6.289  17.110  17.332
  421    H3'   DA   4           H3'       DA   4   8.904  17.576  16.235
  422    H2'   DA   4           H2'       DA   4   8.128  17.919  14.103
  423   H2''   DA   4          H2''       DA   4   8.158  16.154  13.998
  424    H1'   DA   4           H1'       DA   4   5.850  15.954  14.655
  425    H8    DA   4           H8        DA   4   6.775  19.283  13.029
  426    H61   DA   4           H61       DA   4   2.606  17.630   8.668
  427    H62   DA   4           H62       DA   4   3.627  18.950   9.215
  428    H2    DA   4           H2        DA   4   2.963  14.342  11.482
  429    H5'   DT   5           H5'       DT   5   7.066  13.397  15.443
  430   H5''   DT   5          H5''       DT   5   8.246  12.141  15.838
  431    H4'   DT   5           H4'       DT   5   7.063  11.412  13.928
  432    H3'   DT   5           H3'       DT   5   9.893  11.851  13.743
  433    H2'   DT   5           H2'       DT   5   9.742  13.451  12.110
  434   H2''   DT   5          H2''       DT   5   9.581  12.075  11.008
  435    H1'   DT   5           H1'       DT   5   7.202  12.099  11.092
  436    H3    DT   5           H3        DT   5   5.620  15.271   8.291
  437    H71   DT   5           H71       DT   5   9.421  17.931   9.702
  438    H72   DT   5           H72       DT   5   8.161  18.560  10.766
  439    H73   DT   5           H73       DT   5   9.460  17.546  11.437
  440    H6    DT   5           H6        DT   5   8.911  15.367  11.825
  441    H5'   DA   6           H5'       DA   6   7.402   9.062  10.943
  442   H5''   DA   6          H5''       DA   6   8.292   7.553  10.741
  443    H4'   DA   6           H4'       DA   6   6.923   7.837   8.846
  444    H3'   DA   6           H3'       DA   6   9.686   7.531   8.526
  445    H2'   DA   6           H2'       DA   6  10.166   9.693   7.948
  446   H2''   DA   6          H2''       DA   6   9.755   9.157   6.331
  447    H1'   DA   6           H1'       DA   6   7.581  10.009   6.404
  448    H8    DA   6           H8        DA   6  10.051  11.610   8.872
  449    H61   DA   6           H61       DA   6   8.326  16.921   6.039
  450    H62   DA   6           H62       DA   6   9.484  16.253   7.183
  451    H2    DA   6           H2        DA   6   5.907  13.711   4.420
  452    H5'   DT   7           H5'       DT   7   6.876   7.839   5.105
  453   H5''   DT   7          H5''       DT   7   7.072   6.673   3.801
  454    H4'   DT   7           H4'       DT   7   6.265   8.813   2.980
  455    H3'   DT   7           H3'       DT   7   8.555   7.523   1.889
  456    H2'   DT   7           H2'       DT   7  10.022   9.207   2.600
  457   H2''   DT   7          H2''       DT   7   9.520   9.960   1.068
  458    H1'   DT   7           H1'       DT   7   7.687  11.125   2.114
  459    H3    DT   7           H3        DT   7   9.821  14.913   3.313
  460    H71   DT   7           H71       DT   7  13.136  12.130   5.424
  461    H72   DT   7           H72       DT   7  12.028  12.370   6.780
  462    H73   DT   7           H73       DT   7  12.137  10.774   6.000
  463    H6    DT   7           H6        DT   7  10.407  10.288   4.498
  464    H5'   DA   8           H5'       DA   8   7.356  10.779  -1.423
  465   H5''   DA   8          H5''       DA   8   7.459   9.877  -2.938
  466    H4'   DA   8           H4'       DA   8   8.692  11.814  -3.341
  467    H3'   DA   8           H3'       DA   8  10.374   9.422  -3.005
  468    H2'   DA   8           H2'       DA   8  11.799  10.405  -1.550
  469   H2''   DA   8          H2''       DA   8  12.381  11.355  -2.944
  470    H1'   DA   8           H1'       DA   8  10.968  13.164  -2.505
  471    H8    DA   8           H8        DA   8  11.530  11.022   0.755
  472    H61   DA   8           H61       DA   8  13.359  16.622   2.969
  473    H62   DA   8           H62       DA   8  13.092  14.970   3.516
  474    H2    DA   8           H2        DA   8  12.238  17.146  -1.066
  475    H5'   DT   9           H5'       DT   9  11.012  12.867  -6.121
  476   H5''   DT   9          H5''       DT   9  11.732  12.169  -7.579
  477    H4'   DT   9           H4'       DT   9  12.365  14.478  -7.457
  478    H3'   DT   9           H3'       DT   9  14.299  12.417  -7.509
  479    H2'   DT   9           H2'       DT   9  15.229  12.774  -5.498
  480   H2''   DT   9          H2''       DT   9  16.077  14.128  -6.232
  481    H1'   DT   9           H1'       DT   9  14.545  15.729  -5.543
  482    H3    DT   9           H3        DT   9  15.379  16.460  -1.166
  483    H71   DT   9           H71       DT   9  14.584  11.101  -1.870
  484    H72   DT   9           H72       DT   9  15.951  11.656  -0.877
  485    H73   DT   9           H73       DT   9  14.305  11.853  -0.281
  486    H6    DT   9           H6        DT   9  14.211  12.506  -3.679
  487    H5'   DG  10           H5'       DG  10  15.219  16.894  -8.096
  488   H5''   DG  10          H5''       DG  10  16.163  17.083  -9.573
  489    H4'   DG  10           H4'       DG  10  16.681  18.916  -8.172
  490    H3'   DG  10           H3'       DG  10  18.694  17.226  -9.118
  491    H2'   DG  10           H2'       DG  10  19.051  16.134  -7.097
  492   H2''   DG  10          H2''       DG  10  20.207  17.447  -6.850
  493    H1'   DG  10           H1'       DG  10  18.666  18.765  -5.618
  494    H8    DG  10           H8        DG  10  17.983  15.006  -5.560
  495    H1    DG  10           H1        DG  10  19.088  17.668   0.199
  496    H21   DG  10           H21       DG  10  19.515  20.519  -1.660
  497    H22   DG  10           H22       DG  10  19.618  19.734  -0.081
  498    H5'   DC  11           H5'       DC  11  19.915  21.261  -6.893
  499   H5''   DC  11          H5''       DC  11  21.036  22.077  -7.974
  500    H4'   DC  11           H4'       DC  11  21.501  22.783  -5.755
  501    H3'   DC  11           H3'       DC  11  23.489  21.685  -7.363
  502    H2'   DC  11           H2'       DC  11  23.707  19.652  -6.287
  503   H2''   DC  11          H2''       DC  11  24.779  20.537  -5.206
  504    H1'   DC  11           H1'       DC  11  23.151  20.934  -3.606
  505    H41   DC  11           H41       DC  11  21.199  14.636  -3.153
  506    H42   DC  11           H42       DC  11  21.491  15.275  -1.530
  507    H5    DC  11           H5        DC  11  21.589  15.974  -5.137
  508    H6    DC  11           H6        DC  11  22.180  18.260  -5.907
  509    H5'   DG  12           H5'       DG  12  25.337  23.088  -3.367
  510   H5''   DG  12          H5''       DG  12  26.939  23.815  -3.553
  511    H4'   DG  12           H4'       DG  12  27.067  22.192  -1.808
  512    H3'   DG  12           H3'       DG  12  28.375  21.256  -4.358
  513   HO3'   DG  12          H3T        DG  12  29.549  22.766  -3.062
  514    H2'   DG  12           H2'       DG  12  28.410  19.119  -3.695
  515   H2''   DG  12          H2''       DG  12  28.976  19.534  -2.061
  516    H1'   DG  12           H1'       DG  12  26.865  19.618  -1.182
  517    H8    DG  12           H8        DG  12  26.174  18.521  -4.800
  518    H1    DG  12           H1        DG  12  24.602  14.296  -0.185
  519    H21   DG  12           H21       DG  12  25.956  16.705   1.875
  520    H22   DG  12           H22       DG  12  25.314  15.067   1.748
  521    H5'   DC  13           H5'       DC  13  24.718   7.757   5.053
  522   H5''   DC  13          H5''       DC  13  24.043   7.914   6.672
  523    H4'   DC  13           H4'       DC  13  25.495   9.775   6.222
  524    H3'   DC  13           H3'       DC  13  22.857  10.064   7.045
  525    H2'   DC  13           H2'       DC  13  22.012  10.889   5.037
  526   H2''   DC  13          H2''       DC  13  22.555  12.445   5.703
  527    H1'   DC  13           H1'       DC  13  24.639  12.347   4.634
  528    H41   DC  13           H41       DC  13  22.040  11.674  -1.409
  529    H42   DC  13           H42       DC  13  23.278  12.935  -1.467
  530    H5    DC  13           H5        DC  13  21.471  10.506   0.660
  531    H6    DC  13           H6        DC  13  22.097  10.260   2.999
  532   HO5'   DC  13          H5T        DC  13  22.440   7.239   5.110
  533    H5'   DG  14           H5'       DG  14  25.589  14.229   7.244
  534   H5''   DG  14          H5''       DG  14  25.270  14.704   8.911
  535    H4'   DG  14           H4'       DG  14  25.647  16.697   7.800
  536    H3'   DG  14           H3'       DG  14  23.171  16.342   9.008
  537    H2'   DG  14           H2'       DG  14  21.954  15.941   7.051
  538   H2''   DG  14          H2''       DG  14  21.795  17.682   7.046
  539    H1'   DG  14           H1'       DG  14  23.518  18.009   5.526
  540    H8    DG  14           H8        DG  14  22.000  14.506   5.470
  541    H1    DG  14           H1        DG  14  22.382  17.421  -0.262
  542    H21   DG  14           H21       DG  14  23.861  19.925   1.569
  543    H22   DG  14           H22       DG  14  23.267  19.375  -0.002
  544    H5'   DC  15           H5'       DC  15  23.769  20.338   6.907
  545   H5''   DC  15          H5''       DC  15  23.080  21.772   7.667
  546    H4'   DC  15           H4'       DC  15  22.659  21.782   5.282
  547    H3'   DC  15           H3'       DC  15  20.295  21.502   7.086
  548    H2'   DC  15           H2'       DC  15  19.018  20.525   5.516
  549   H2''   DC  15          H2''       DC  15  19.384  21.797   4.329
  550    H1'   DC  15           H1'       DC  15  21.136  20.710   3.396
  551    H41   DC  15           H41       DC  15  18.379  14.720   3.165
  552    H42   DC  15           H42       DC  15  18.433  15.423   1.541
  553    H5    DC  15           H5        DC  15  19.022  16.043   5.143
  554    H6    DC  15           H6        DC  15  20.019  18.204   5.827
  555    H5'   DA  16           H5'       DA  16  20.467  23.905   3.376
  556   H5''   DA  16          H5''       DA  16  19.883  25.558   3.523
  557    H4'   DA  16           H4'       DA  16  19.356  24.828   1.351
  558    H3'   DA  16           H3'       DA  16  17.275  25.597   3.118
  559    H2'   DA  16           H2'       DA  16  16.427  23.459   3.328
  560   H2''   DA  16          H2''       DA  16  15.476  23.928   1.916
  561    H1'   DA  16           H1'       DA  16  17.057  22.976   0.374
  562    H8    DA  16           H8        DA  16  17.126  21.444   3.867
  563    H61   DA  16           H61       DA  16  15.642  16.123   0.908
  564    H62   DA  16           H62       DA  16  16.173  16.762   2.457
  565    H2    DA  16           H2        DA  16  15.438  19.336  -1.974
  566    H5'   DT  17           H5'       DT  17  15.834  24.905  -1.181
  567   H5''   DT  17          H5''       DT  17  14.763  26.182  -1.748
  568    H4'   DT  17           H4'       DT  17  13.886  24.096  -2.475
  569    H3'   DT  17           H3'       DT  17  12.319  25.722  -0.664
  570    H2'   DT  17           H2'       DT  17  12.035  24.051   0.872
  571   H2''   DT  17          H2''       DT  17  10.816  23.404  -0.235
  572    H1'   DT  17           H1'       DT  17  12.397  22.027  -1.383
  573    H3    DT  17           H3        DT  17  12.828  18.232   1.040
  574    H71   DT  17           H71       DT  17  14.493  20.922   4.672
  575    H72   DT  17           H72       DT  17  13.660  22.464   4.356
  576    H73   DT  17           H73       DT  17  12.751  21.059   4.955
  577    H6    DT  17           H6        DT  17  13.293  22.890   2.151
  578    H5'   DA  18           H5'       DA  18  10.342  22.454  -2.921
  579   H5''   DA  18          H5''       DA  18   8.993  23.041  -3.894
  580    H4'   DA  18           H4'       DA  18   8.303  20.946  -3.216
  581    H3'   DA  18           H3'       DA  18   6.897  23.107  -1.814
  582    H2'   DA  18           H2'       DA  18   7.371  22.291   0.239
  583   H2''   DA  18          H2''       DA  18   6.090  21.107  -0.111
  584    H1'   DA  18           H1'       DA  18   7.604  19.496  -0.873
  585    H8    DA  18           H8        DA  18   8.952  21.909   1.792
  586    H61   DA  18           H61       DA  18  10.855  16.508   4.454
  587    H62   DA  18           H62       DA  18  10.741  18.237   4.801
  588    H2    DA  18           H2        DA  18   9.467  15.629   0.529
  589    H5'   DT  19           H5'       DT  19   5.656  18.824  -2.346
  590   H5''   DT  19          H5''       DT  19   4.098  18.771  -3.174
  591    H4'   DT  19           H4'       DT  19   3.881  16.978  -1.697
  592    H3'   DT  19           H3'       DT  19   2.295  19.268  -1.005
  593    H2'   DT  19           H2'       DT  19   3.628  19.848   0.786
  594   H2''   DT  19          H2''       DT  19   2.491  18.755   1.628
  595    H1'   DT  19           H1'       DT  19   3.901  16.825   1.191
  596    H3    DT  19           H3        DT  19   6.917  16.438   4.474
  597    H71   DT  19           H71       DT  19   6.377  21.720   3.213
  598    H72   DT  19           H72       DT  19   6.028  21.252   4.897
  599    H73   DT  19           H73       DT  19   7.679  21.179   4.296
  600    H6    DT  19           H6        DT  19   5.326  20.145   1.853
  601    H5'   DA  20           H5'       DA  20  -1.392  15.451  -0.022
  602   H5''   DA  20          H5''       DA  20  -0.069  16.203   0.848
  603    H4'   DA  20           H4'       DA  20  -0.018  13.256   0.114
  604    H3'   DA  20           H3'       DA  20  -1.922  14.462   1.734
  605    H2'   DA  20           H2'       DA  20  -0.486  15.460   3.208
  606   H2''   DA  20          H2''       DA  20  -0.623  13.915   4.066
  607    H1'   DA  20           H1'       DA  20   1.380  13.063   3.220
  608    H8    DA  20           H8        DA  20   1.630  16.835   2.345
  609    H61   DA  20           H61       DA  20   5.228  17.304   7.391
  610    H62   DA  20           H62       DA  20   4.457  18.216   6.092
  611    H2    DA  20           H2        DA  20   3.933  13.174   7.116
  612    H5'   DT  21           H5'       DT  21  -0.307  11.055   4.108
  613   H5''   DT  21          H5''       DT  21  -1.623   9.880   4.159
  614    H4'   DT  21           H4'       DT  21  -0.588   9.619   6.221
  615    H3'   DT  21           H3'       DT  21  -3.194  10.534   6.266
  616    H2'   DT  21           H2'       DT  21  -2.765  12.749   6.772
  617   H2''   DT  21          H2''       DT  21  -2.805  12.126   8.438
  618    H1'   DT  21           H1'       DT  21  -0.522  11.869   8.587
  619    H3    DT  21           H3        DT  21   1.990  15.608   8.903
  620    H71   DT  21           H71       DT  21  -0.210  17.243   4.916
  621    H72   DT  21           H72       DT  21  -1.796  16.446   5.052
  622    H73   DT  21           H73       DT  21  -1.348  17.743   6.176
  623    H6    DT  21           H6        DT  21  -1.640  14.338   5.971
  624    H5'   DG  22           H5'       DG  22  -1.135   9.690  10.337
  625   H5''   DG  22          H5''       DG  22  -2.232   8.852  11.459
  626    H4'   DG  22           H4'       DG  22  -1.027  10.436  12.731
  627    H3'   DG  22           H3'       DG  22  -3.877  10.752  12.502
  628    H2'   DG  22           H2'       DG  22  -3.687  12.810  11.433
  629   H2''   DG  22          H2''       DG  22  -3.563  13.419  13.106
  630    H1'   DG  22           H1'       DG  22  -1.160  13.248  13.071
  631    H8    DG  22           H8        DG  22  -2.828  14.066   9.714
  632    H1    DG  22           H1        DG  22   1.203  18.528  12.058
  633    H21   DG  22           H21       DG  22   1.517  16.255  14.626
  634    H22   DG  22           H22       DG  22   1.915  17.861  14.006
  635    H5'   DC  23           H5'       DC  23  -1.206  12.436  16.054
  636   H5''   DC  23          H5''       DC  23  -2.047  11.931  17.518
  637    H4'   DC  23           H4'       DC  23  -0.713  13.796  18.077
  638    H3'   DC  23           H3'       DC  23  -3.471  13.831  18.509
  639    H2'   DC  23           H2'       DC  23  -4.046  15.356  16.883
  640   H2''   DC  23          H2''       DC  23  -3.614  16.563  18.075
  641    H1'   DC  23           H1'       DC  23  -1.470  16.892  17.256
  642    H41   DC  23           H41       DC  23  -3.677  17.832  11.089
  643    H42   DC  23           H42       DC  23  -2.658  19.198  11.562
  644    H5    DC  23           H5        DC  23  -4.104  15.969  12.606
  645    H6    DC  23           H6        DC  23  -3.523  15.072  14.848
  646    H5'   DG  24           H5'       DG  24  -1.653  17.666  20.350
  647   H5''   DG  24          H5''       DG  24  -2.453  18.141  21.855
  648    H4'   DG  24           H4'       DG  24  -2.375  20.048  20.452
  649    H3'   DG  24           H3'       DG  24  -5.139  18.845  20.554
  650   HO3'   DG  24          H3T        DG  24  -5.479  20.740  21.844
  651    H2'   DG  24           H2'       DG  24  -5.846  20.073  18.814
  652   H2''   DG  24          H2''       DG  24  -5.036  21.554  19.394
  653    H1'   DG  24           H1'       DG  24  -3.126  21.167  18.214
  654    H8    DG  24           H8        DG  24  -5.315  18.227  17.072
  655    H1    DG  24           H1        DG  24  -3.932  22.700  12.623
  656    H21   DG  24           H21       DG  24  -2.231  24.132  15.261
  657    H22   DG  24           H22       DG  24  -2.747  24.292  13.579
  Start of MODEL   17
    1    H    ALA  79           H1       ALA  79  -1.718   6.926   9.003
    2    HA   ALA  79           HA       ALA  79   1.177   6.409   9.383
    3    HB1  ALA  79           HB1      ALA  79  -1.086   4.808   8.110
    4    HB2  ALA  79           HB2      ALA  79   0.641   4.342   8.063
    5    HB3  ALA  79           HB3      ALA  79  -0.234   4.392   9.608
    6    H    ARG  80           H        ARG  80   2.430   6.291   7.489
    7    HA   ARG  80           HA       ARG  80   2.027   8.292   5.499
    8    HB2  ARG  80           HB2      ARG  80   4.041   6.054   5.812
    9    HB3  ARG  80           HB3      ARG  80   4.130   7.239   4.507
   10    HG2  ARG  80           HG2      ARG  80   3.977   8.006   7.445
   11    HG3  ARG  80           HG3      ARG  80   5.492   7.828   6.543
   12    HD2  ARG  80           HD2      ARG  80   5.291   9.987   5.960
   13    HD3  ARG  80           HD3      ARG  80   3.945   9.506   4.936
   14    HE   ARG  80           HE       ARG  80   2.450  10.489   6.415
   15   HH11  ARG  80          HH11      ARG  80   5.601  10.423   8.033
   16   HH12  ARG  80          HH12      ARG  80   5.063  11.672   9.133
   17   HH21  ARG  80          HH21      ARG  80   1.878  11.902   8.127
   18   HH22  ARG  80          HH22      ARG  80   3.111  12.333   9.257
   19    H    LYS  81           H        LYS  81  -0.230   7.276   5.092
   20    HA   LYS  81           HA       LYS  81  -0.765   5.193   3.251
   21    HB2  LYS  81           HB2      LYS  81  -2.139   7.829   3.983
   22    HB3  LYS  81           HB3      LYS  81  -2.857   6.661   2.879
   23    HG2  LYS  81           HG2      LYS  81  -3.239   5.069   4.528
   24    HG3  LYS  81           HG3      LYS  81  -1.998   5.716   5.629
   25    HD2  LYS  81           HD2      LYS  81  -3.336   7.627   6.192
   26    HD3  LYS  81           HD3      LYS  81  -4.557   7.228   4.967
   27    HE2  LYS  81           HE2      LYS  81  -5.241   5.238   6.138
   28    HE3  LYS  81           HE3      LYS  81  -3.845   5.297   7.218
   29    HZ1  LYS  81           HZ1      LYS  81  -4.724   7.278   8.253
   30    HZ2  LYS  81           HZ2      LYS  81  -5.991   7.365   7.219
   31    HZ3  LYS  81           HZ3      LYS  81  -5.894   6.132   8.293
   32    H    VAL  82           H        VAL  82  -0.486   5.017   1.304
   33    HA   VAL  82           HA       VAL  82   0.769   6.956  -0.471
   34    HB   VAL  82           HB       VAL  82  -0.546   4.275  -1.046
   35   HG11  VAL  82          HG11      VAL  82  -0.602   5.427  -3.114
   36   HG12  VAL  82          HG12      VAL  82   1.034   6.118  -2.888
   37   HG13  VAL  82          HG13      VAL  82   0.811   4.380  -3.191
   38   HG21  VAL  82          HG21      VAL  82   1.446   4.192   0.427
   39   HG22  VAL  82          HG22      VAL  82   1.699   3.399  -1.139
   40   HG23  VAL  82          HG23      VAL  82   2.389   5.010  -0.855
   41    H    LYS  83           H        LYS  83  -0.140   8.365  -1.817
   42    HA   LYS  83           HA       LYS  83  -3.044   8.189  -2.434
   43    HB2  LYS  83           HB2      LYS  83  -1.228  10.556  -2.078
   44    HB3  LYS  83           HB3      LYS  83  -2.402  10.604  -3.413
   45    HG2  LYS  83           HG2      LYS  83  -4.266  10.238  -1.973
   46    HG3  LYS  83           HG3      LYS  83  -3.217  10.060  -0.549
   47    HD2  LYS  83           HD2      LYS  83  -2.460  12.354  -0.725
   48    HD3  LYS  83           HD3      LYS  83  -3.233  12.556  -2.310
   49    HE2  LYS  83           HE2      LYS  83  -5.353  12.686  -1.484
   50    HE3  LYS  83           HE3      LYS  83  -4.945  11.887   0.065
   51    HZ1  LYS  83           HZ1      LYS  83  -3.806  13.798   0.780
   52    HZ2  LYS  83           HZ2      LYS  83  -3.914  14.565  -0.706
   53    HZ3  LYS  83           HZ3      LYS  83  -5.238  14.341   0.234
   54    H    GLN  84           H        GLN  84  -3.484   7.601  -4.439
   55    HA   GLN  84           HA       GLN  84  -1.315   7.504  -6.447
   56    HB2  GLN  84           HB2      GLN  84  -2.300   5.523  -6.897
   57    HB3  GLN  84           HB3      GLN  84  -3.795   5.920  -6.034
   58    HG2  GLN  84           HG2      GLN  84  -4.597   7.140  -7.977
   59    HG3  GLN  84           HG3      GLN  84  -3.066   6.843  -8.841
   60   HE21  GLN  84          HE21      GLN  84  -2.484   4.437  -9.201
   61   HE22  GLN  84          HE22      GLN  84  -3.834   3.344  -9.456
   62    H    TYR  85           H        TYR  85  -1.561   8.847  -8.185
   63    HA   TYR  85           HA       TYR  85  -3.850  10.789  -8.201
   64    HB2  TYR  85           HB2      TYR  85  -0.933  11.449  -8.793
   65    HB3  TYR  85           HB3      TYR  85  -2.293  12.555  -8.869
   66    HD1  TYR  85           HD1      TYR  85  -3.411  13.365  -6.843
   67    HD2  TYR  85           HD2      TYR  85   0.134  10.925  -6.644
   68    HE1  TYR  85           HE1      TYR  85  -2.988  14.191  -4.535
   69    HE2  TYR  85           HE2      TYR  85   0.582  11.761  -4.346
   70    HH   TYR  85           HH       TYR  85  -1.518  14.225  -2.796
   71    H    LYS  86           H        LYS  86  -4.699  11.104 -10.258
   72    HA   LYS  86           HA       LYS  86  -3.276   9.946 -12.618
   73    HB2  LYS  86           HB2      LYS  86  -4.920   8.309 -11.907
   74    HB3  LYS  86           HB3      LYS  86  -6.180   9.537 -11.780
   75    HG2  LYS  86           HG2      LYS  86  -6.260   9.864 -14.168
   76    HG3  LYS  86           HG3      LYS  86  -4.791   8.922 -14.417
   77    HD2  LYS  86           HD2      LYS  86  -5.982   6.887 -13.532
   78    HD3  LYS  86           HD3      LYS  86  -7.465   7.863 -13.400
   79    HE2  LYS  86           HE2      LYS  86  -7.340   8.334 -15.854
   80    HE3  LYS  86           HE3      LYS  86  -5.880   7.334 -15.961
   81    HZ1  LYS  86           HZ1      LYS  86  -8.573   6.345 -15.133
   82    HZ2  LYS  86           HZ2      LYS  86  -7.876   6.071 -16.583
   83    HZ3  LYS  86           HZ3      LYS  86  -7.227   5.418 -15.242
   84    H    ASN  87           H        ASN  87  -3.340  11.192 -14.408
   85    HA   ASN  87           HA       ASN  87  -4.538  13.899 -14.053
   86    HB2  ASN  87           HB2      ASN  87  -2.164  13.626 -14.294
   87    HB3  ASN  87           HB3      ASN  87  -2.358  12.899 -15.886
   88   HD21  ASN  87          HD21      ASN  87  -0.898  15.339 -15.114
   89   HD22  ASN  87          HD22      ASN  87  -1.699  16.652 -15.977
   90    HA   PRO  88           HA       PRO  88  -7.753  12.700 -17.073
   91    HB2  PRO  88           HB2      PRO  88  -8.263  15.661 -16.722
   92    HB3  PRO  88           HB3      PRO  88  -9.448  14.318 -16.811
   93    HG2  PRO  88           HG2      PRO  88  -8.782  15.390 -14.410
   94    HG3  PRO  88           HG3      PRO  88  -8.917  13.610 -14.586
   95    HD2  PRO  88           HD2      PRO  88  -6.419  15.309 -14.571
   96    HD3  PRO  88           HD3      PRO  88  -6.745  13.739 -13.777
   97    H    HIS  89           H        HIS  89  -5.374  15.305 -17.413
   98    HA   HIS  89           HA       HIS  89  -6.077  15.882 -20.212
   99    HB2  HIS  89           HB2      HIS  89  -3.835  16.992 -18.478
  100    HB3  HIS  89           HB3      HIS  89  -4.411  17.657 -20.004
  101    HD1  HIS  89           HD1      HIS  89  -7.001  18.707 -19.933
  102    HD2  HIS  89           HD2      HIS  89  -5.119  17.726 -16.279
  103    HE1  HIS  89           HE1      HIS  89  -8.347  19.893 -18.086
  104    HE2  HIS  89           HE2      HIS  89  -7.196  19.300 -15.864
  105    H    THR  90           H        THR  90  -3.785  13.796 -18.630
  106    HA   THR  90           HA       THR  90  -2.322  13.374 -21.219
  107    HB   THR  90           HB       THR  90  -0.320  12.961 -19.940
  108    HG1  THR  90           HG1      THR  90  -0.399  13.203 -17.668
  109   HG21  THR  90          HG21      THR  90  -0.888  15.390 -20.343
  110   HG22  THR  90          HG22      THR  90  -1.615  15.424 -18.712
  111   HG23  THR  90          HG23      THR  90   0.120  15.105 -18.912
  112    H    GLY  91           H        GLY  91  -3.998  11.778 -18.579
  113    HA2  GLY  91           HA2      GLY  91  -4.631   9.565 -18.354
  114    HA3  GLY  91           HA3      GLY  91  -3.779   9.148 -19.841
  115    H    GLU  92           H        GLU  92  -1.725  10.861 -17.623
  116    HA   GLU  92           HA       GLU  92  -0.212   8.464 -16.990
  117    HB2  GLU  92           HB2      GLU  92   0.209  11.420 -16.559
  118    HB3  GLU  92           HB3      GLU  92   1.169  10.239 -15.672
  119    HG2  GLU  92           HG2      GLU  92   0.962  10.048 -18.662
  120    HG3  GLU  92           HG3      GLU  92   2.095  11.169 -17.873
  121    H    VAL  93           H        VAL  93   0.269   7.908 -14.962
  122    HA   VAL  93           HA       VAL  93  -1.400   8.777 -12.668
  123    HB   VAL  93           HB       VAL  93  -0.649   5.948 -13.360
  124   HG11  VAL  93          HG11      VAL  93  -1.099   6.145 -10.926
  125   HG12  VAL  93          HG12      VAL  93  -2.617   7.009 -11.254
  126   HG13  VAL  93          HG13      VAL  93  -2.432   5.304 -11.694
  127   HG21  VAL  93          HG21      VAL  93  -3.292   7.397 -13.772
  128   HG22  VAL  93          HG22      VAL  93  -2.266   6.695 -15.027
  129   HG23  VAL  93          HG23      VAL  93  -3.110   5.628 -13.902
  130    H    ILE  94           H        ILE  94  -0.484   8.349 -10.664
  131    HA   ILE  94           HA       ILE  94   2.334   7.585 -10.335
  132    HB   ILE  94           HB       ILE  94   1.807   9.848  -8.614
  133   HG12  ILE  94          HG12      ILE  94   1.831  10.724 -11.525
  134   HG13  ILE  94          HG13      ILE  94   0.402  10.734 -10.485
  135   HG21  ILE  94          HG21      ILE  94   3.940   9.613 -10.756
  136   HG22  ILE  94          HG22      ILE  94   3.994  10.536  -9.230
  137   HG23  ILE  94          HG23      ILE  94   4.018   8.782  -9.177
  138   HD11  ILE  94          HD11      ILE  94   1.312  12.943 -10.447
  139   HD12  ILE  94          HD12      ILE  94   1.620  12.191  -8.856
  140   HD13  ILE  94          HD13      ILE  94   2.929  12.339 -10.047
  141    H    GLU  95           H        GLU  95   2.850   7.501  -8.020
  142    HA   GLU  95           HA       GLU  95   0.705   7.228  -6.032
  143    HB2  GLU  95           HB2      GLU  95   2.529   5.027  -6.999
  144    HB3  GLU  95           HB3      GLU  95   1.926   5.032  -5.317
  145    HG2  GLU  95           HG2      GLU  95  -0.357   4.960  -6.037
  146    HG3  GLU  95           HG3      GLU  95   0.108   5.104  -7.737
  147    H    THR  96           H        THR  96   1.437   8.388  -4.336
  148    HA   THR  96           HA       THR  96   4.265   8.175  -3.452
  149    HB   THR  96           HB       THR  96   4.913  10.291  -3.765
  150    HG1  THR  96           HG1      THR  96   3.592  12.090  -3.495
  151   HG21  THR  96          HG21      THR  96   3.995  11.537  -5.688
  152   HG22  THR  96          HG22      THR  96   4.149   9.830  -6.103
  153   HG23  THR  96          HG23      THR  96   2.553  10.497  -5.686
  154    H    LYS  97           H        LYS  97   4.580   8.853  -1.219
  155    HA   LYS  97           HA       LYS  97   2.065   8.759   0.410
  156    HB2  LYS  97           HB2      LYS  97   4.951   8.625   1.259
  157    HB3  LYS  97           HB3      LYS  97   3.557   8.249   2.267
  158    HG2  LYS  97           HG2      LYS  97   3.054   6.262   0.983
  159    HG3  LYS  97           HG3      LYS  97   4.259   6.665  -0.241
  160    HD2  LYS  97           HD2      LYS  97   6.005   6.545   1.669
  161    HD3  LYS  97           HD3      LYS  97   4.735   5.768   2.610
  162    HE2  LYS  97           HE2      LYS  97   6.080   4.043   1.652
  163    HE3  LYS  97           HE3      LYS  97   4.546   4.022   0.783
  164    HZ1  LYS  97           HZ1      LYS  97   5.662   5.246  -1.041
  165    HZ2  LYS  97           HZ2      LYS  97   7.049   5.359  -0.207
  166    HZ3  LYS  97           HZ3      LYS  97   6.521   3.890  -0.710
  167    H    GLY  98           H        GLY  98   3.417  11.164  -1.096
  168    HA2  GLY  98           HA2      GLY  98   2.765  13.462  -0.400
  169    HA3  GLY  98           HA3      GLY  98   3.603  13.143   1.125
  170    H    GLY  99           H        GLY  99   4.714  15.109   0.478
  171    HA2  GLY  99           HA2      GLY  99   6.747  16.039   0.187
  172    HA3  GLY  99           HA3      GLY  99   7.359  14.473  -0.297
  173    H    ASN 100           H        ASN 100   8.438  16.659  -1.240
  174    HA   ASN 100           HA       ASN 100   7.846  17.559  -3.855
  175    HB2  ASN 100           HB2      ASN 100   9.498  18.662  -2.522
  176    HB3  ASN 100           HB3      ASN 100  10.290  17.168  -2.119
  177   HD21  ASN 100          HD22      ASN 100  12.101  18.638  -2.560
  178   HD22  ASN 100          HD21      ASN 100  12.831  18.305  -4.111
  179    H    HIS 101           H        HIS 101   7.143  16.047  -5.313
  180    HA   HIS 101           HA       HIS 101   9.041  13.912  -6.130
  181    HB2  HIS 101           HB2      HIS 101   7.128  13.003  -4.766
  182    HB3  HIS 101           HB3      HIS 101   6.014  13.572  -6.000
  183    HD1  HIS 101           HD1      HIS 101   9.009  11.045  -5.654
  184    HD2  HIS 101           HD2      HIS 101   5.664  11.975  -8.096
  185    HE1  HIS 101           HE1      HIS 101   8.796   9.150  -7.346
  186    HE2  HIS 101           HE2      HIS 101   6.775   9.700  -8.840
  187    H    LYS 102           H        LYS 102   9.426  13.752  -8.287
  188    HA   LYS 102           HA       LYS 102   9.352  15.996  -9.837
  189    HB2  LYS 102           HB2      LYS 102  10.717  13.814 -10.105
  190    HB3  LYS 102           HB3      LYS 102   9.394  13.247 -11.121
  191    HG2  LYS 102           HG2      LYS 102  10.967  14.163 -12.566
  192    HG3  LYS 102           HG3      LYS 102   9.726  15.430 -12.461
  193    HD2  LYS 102           HD2      LYS 102  11.116  16.758 -10.953
  194    HD3  LYS 102           HD3      LYS 102  12.237  15.388 -10.706
  195    HE2  LYS 102           HE2      LYS 102  12.671  15.361 -13.130
  196    HE3  LYS 102           HE3      LYS 102  11.690  16.834 -13.312
  197    HZ1  LYS 102           HZ1      LYS 102  14.106  17.339 -13.101
  198    HZ2  LYS 102           HZ2      LYS 102  13.297  17.970 -11.824
  199    HZ3  LYS 102           HZ3      LYS 102  14.161  16.582 -11.646
  200    H    THR 103           H        THR 103   7.281  13.290 -10.997
  201    HA   THR 103           HA       THR 103   5.864  14.874 -12.843
  202    HB   THR 103           HB       THR 103   4.816  12.373 -11.481
  203    HG1  THR 103           HG1      THR 103   5.868  11.337 -13.226
  204   HG21  THR 103          HG21      THR 103   3.733  12.114 -13.818
  205   HG22  THR 103          HG22      THR 103   3.079  13.379 -12.774
  206   HG23  THR 103          HG23      THR 103   4.195  13.827 -14.075
  207    H    LEU 104           H        LEU 104   5.017  14.140  -9.479
  208    HA   LEU 104           HA       LEU 104   2.428  15.305  -9.429
  209    HB2  LEU 104           HB2      LEU 104   3.422  13.737  -7.751
  210    HB3  LEU 104           HB3      LEU 104   4.513  15.023  -7.219
  211    HG   LEU 104           HG       LEU 104   2.586  16.331  -6.403
  212   HD11  LEU 104          HD11      LEU 104   0.951  13.898  -7.257
  213   HD12  LEU 104          HD12      LEU 104   0.351  15.221  -6.253
  214   HD13  LEU 104          HD13      LEU 104   0.821  15.533  -7.931
  215   HD21  LEU 104          HD21      LEU 104   3.730  14.724  -4.906
  216   HD22  LEU 104          HD22      LEU 104   2.015  14.885  -4.513
  217   HD23  LEU 104          HD23      LEU 104   2.572  13.458  -5.395
  218    H    LYS 105           H        LYS 105   5.664  16.777  -8.975
  219    HA   LYS 105           HA       LYS 105   4.624  19.436  -8.348
  220    HB2  LYS 105           HB2      LYS 105   7.358  18.368  -9.157
  221    HB3  LYS 105           HB3      LYS 105   7.065  20.079  -8.971
  222    HG2  LYS 105           HG2      LYS 105   6.707  17.974  -6.784
  223    HG3  LYS 105           HG3      LYS 105   8.092  19.044  -6.966
  224    HD2  LYS 105           HD2      LYS 105   5.255  19.805  -6.173
  225    HD3  LYS 105           HD3      LYS 105   6.721  19.897  -5.205
  226    HE2  LYS 105           HE2      LYS 105   7.625  21.624  -6.828
  227    HE3  LYS 105           HE3      LYS 105   6.067  21.597  -7.664
  228    HZ1  LYS 105           HZ1      LYS 105   6.520  22.433  -4.839
  229    HZ2  LYS 105           HZ2      LYS 105   6.025  23.398  -6.073
  230    HZ3  LYS 105           HZ3      LYS 105   5.044  22.219  -5.447
  231    H    GLU 106           H        GLU 106   5.399  17.796 -11.431
  232    HA   GLU 106           HA       GLU 106   5.258  20.240 -12.950
  233    HB2  GLU 106           HB2      GLU 106   4.507  17.487 -13.968
  234    HB3  GLU 106           HB3      GLU 106   5.066  18.900 -14.902
  235    HG2  GLU 106           HG2      GLU 106   7.235  18.644 -13.493
  236    HG3  GLU 106           HG3      GLU 106   6.534  17.074 -13.050
  237    H    TRP 107           H        TRP 107   2.933  17.701 -12.151
  238    HA   TRP 107           HA       TRP 107   0.705  18.849 -13.522
  239    HB2  TRP 107           HB2      TRP 107   0.699  17.170 -10.996
  240    HB3  TRP 107           HB3      TRP 107  -0.713  17.536 -11.986
  241    HD1  TRP 107           HD1      TRP 107   2.011  16.754 -14.347
  242    HE1  TRP 107           HE1      TRP 107   1.885  14.316 -15.118
  243    HE3  TRP 107           HE3      TRP 107  -1.431  14.983 -10.978
  244    HZ2  TRP 107           HZ2      TRP 107   0.687  11.886 -14.245
  245    HZ3  TRP 107           HZ3      TRP 107  -2.115  12.602 -11.067
  246    HH2  TRP 107           HH2      TRP 107  -1.006  11.026 -12.645
  247    H    LYS 108           H        LYS 108   1.907  19.598 -10.248
  248    HA   LYS 108           HA       LYS 108  -0.210  21.460  -9.563
  249    HB2  LYS 108           HB2      LYS 108   2.693  21.277  -8.653
  250    HB3  LYS 108           HB3      LYS 108   1.526  22.448  -8.023
  251    HG2  LYS 108           HG2      LYS 108   0.014  20.557  -7.410
  252    HG3  LYS 108           HG3      LYS 108   1.276  19.420  -7.879
  253    HD2  LYS 108           HD2      LYS 108   2.838  20.537  -6.265
  254    HD3  LYS 108           HD3      LYS 108   1.514  21.608  -5.760
  255    HE2  LYS 108           HE2      LYS 108   0.174  19.457  -5.230
  256    HE3  LYS 108           HE3      LYS 108   1.653  18.563  -5.557
  257    HZ1  LYS 108           HZ1      LYS 108   1.168  20.477  -3.360
  258    HZ2  LYS 108           HZ2      LYS 108   1.724  18.916  -3.307
  259    HZ3  LYS 108           HZ3      LYS 108   2.700  20.155  -3.844
  260    H    ALA 109           H        ALA 109   2.855  21.841 -11.411
  261    HA   ALA 109           HA       ALA 109   2.764  24.697 -11.602
  262    HB1  ALA 109           HB1      ALA 109   4.773  23.210 -12.048
  263    HB2  ALA 109           HB2      ALA 109   3.994  22.688 -13.561
  264    HB3  ALA 109           HB3      ALA 109   4.427  24.382 -13.353
  265    H    LYS 110           H        LYS 110   1.817  22.064 -13.781
  266    HA   LYS 110           HA       LYS 110   0.972  23.666 -15.826
  267    HB2  LYS 110           HB2      LYS 110   0.753  20.734 -15.204
  268    HB3  LYS 110           HB3      LYS 110   0.048  21.377 -16.704
  269    HG2  LYS 110           HG2      LYS 110   2.256  22.308 -17.350
  270    HG3  LYS 110           HG3      LYS 110   2.970  21.676 -15.863
  271    HD2  LYS 110           HD2      LYS 110   3.584  20.103 -17.506
  272    HD3  LYS 110           HD3      LYS 110   2.268  19.353 -16.611
  273    HE2  LYS 110           HE2      LYS 110   1.743  18.896 -18.865
  274    HE3  LYS 110           HE3      LYS 110   0.685  20.246 -18.439
  275    HZ1  LYS 110           HZ1      LYS 110   1.772  20.578 -20.605
  276    HZ2  LYS 110           HZ2      LYS 110   2.265  21.745 -19.580
  277    HZ3  LYS 110           HZ3      LYS 110   3.258  20.488 -19.940
  278    H    TRP 111           H        TRP 111  -0.945  22.163 -13.269
  279    HA   TRP 111           HA       TRP 111  -3.429  23.494 -14.312
  280    HB2  TRP 111           HB2      TRP 111  -3.238  20.683 -13.204
  281    HB3  TRP 111           HB3      TRP 111  -4.717  21.513 -13.672
  282    HD1  TRP 111           HD1      TRP 111  -5.041  22.014 -16.337
  283    HE1  TRP 111           HE1      TRP 111  -4.156  20.815 -18.423
  284    HE3  TRP 111           HE3      TRP 111  -1.343  19.278 -14.160
  285    HZ2  TRP 111           HZ2      TRP 111  -2.035  18.942 -19.079
  286    HZ3  TRP 111           HZ3      TRP 111   0.193  17.872 -15.557
  287    HH2  TRP 111           HH2      TRP 111  -0.189  17.646 -17.981
  288    H    GLY 112           H        GLY 112  -2.109  21.926 -11.309
  289    HA2  GLY 112           HA2      GLY 112  -1.887  23.889  -9.606
  290    HA3  GLY 112           HA3      GLY 112  -3.639  23.930  -9.670
  291    HA   PRO 113           HA       PRO 113  -1.911  20.699  -6.556
  292    HB2  PRO 113           HB2      PRO 113  -2.187  22.111  -4.170
  293    HB3  PRO 113           HB3      PRO 113  -0.686  21.957  -5.123
  294    HG2  PRO 113           HG2      PRO 113  -2.677  24.223  -5.127
  295    HG3  PRO 113           HG3      PRO 113  -0.880  24.297  -5.115
  296    HD2  PRO 113           HD2      PRO 113  -2.336  24.658  -7.384
  297    HD3  PRO 113           HD3      PRO 113  -0.760  23.807  -7.408
  298    H    GLU 114           H        GLU 114  -4.646  22.979  -6.320
  299    HA   GLU 114           HA       GLU 114  -6.364  21.410  -4.673
  300    HB2  GLU 114           HB2      GLU 114  -7.247  23.178  -6.967
  301    HB3  GLU 114           HB3      GLU 114  -8.101  22.774  -5.454
  302    HG2  GLU 114           HG2      GLU 114  -6.259  24.036  -4.227
  303    HG3  GLU 114           HG3      GLU 114  -5.657  24.531  -5.821
  304    H    ALA 115           H        ALA 115  -6.003  21.681  -8.141
  305    HA   ALA 115           HA       ALA 115  -7.938  19.832  -9.051
  306    HB1  ALA 115           HB1      ALA 115  -6.805  19.987 -11.151
  307    HB2  ALA 115           HB2      ALA 115  -6.563  21.570 -10.368
  308    HB3  ALA 115           HB3      ALA 115  -5.248  20.347 -10.397
  309    H    VAL 116           H        VAL 116  -4.451  19.487  -8.602
  310    HA   VAL 116           HA       VAL 116  -4.130  16.864  -9.209
  311    HB   VAL 116           HB       VAL 116  -2.615  18.809  -7.485
  312   HG11  VAL 116          HG11      VAL 116  -1.928  16.658  -6.551
  313   HG12  VAL 116          HG12      VAL 116  -1.580  16.043  -8.184
  314   HG13  VAL 116          HG13      VAL 116  -0.639  17.401  -7.495
  315   HG21  VAL 116          HG21      VAL 116  -1.157  18.899  -9.423
  316   HG22  VAL 116          HG22      VAL 116  -1.990  17.508 -10.160
  317   HG23  VAL 116          HG23      VAL 116  -2.829  19.053 -10.017
  318    H    GLU 117           H        GLU 117  -4.709  18.201  -5.918
  319    HA   GLU 117           HA       GLU 117  -4.757  15.628  -4.583
  320    HB2  GLU 117           HB2      GLU 117  -5.813  18.414  -3.943
  321    HB3  GLU 117           HB3      GLU 117  -6.123  17.058  -2.865
  322    HG2  GLU 117           HG2      GLU 117  -3.280  17.678  -3.711
  323    HG3  GLU 117           HG3      GLU 117  -4.075  18.620  -2.459
  324    H    SER 118           H        SER 118  -7.251  17.567  -6.242
  325    HA   SER 118           HA       SER 118  -9.521  16.080  -5.246
  326    HB2  SER 118           HB2      SER 118  -9.659  18.367  -6.235
  327    HB3  SER 118           HB3      SER 118  -9.298  17.675  -7.833
  328    HG   SER 118           HG       SER 118 -11.578  17.933  -7.408
  329    H    TRP 119           H        TRP 119  -7.366  15.660  -8.028
  330    HA   TRP 119           HA       TRP 119  -8.817  13.454  -9.220
  331    HB2  TRP 119           HB2      TRP 119  -5.851  14.062  -9.452
  332    HB3  TRP 119           HB3      TRP 119  -6.856  13.116 -10.537
  333    HD1  TRP 119           HD1      TRP 119  -9.151  15.586 -10.646
  334    HE1  TRP 119           HE1      TRP 119  -8.645  17.554 -12.207
  335    HE3  TRP 119           HE3      TRP 119  -4.125  14.843 -11.276
  336    HZ2  TRP 119           HZ2      TRP 119  -6.338  18.698 -13.526
  337    HZ3  TRP 119           HZ3      TRP 119  -2.803  16.368 -12.734
  338    HH2  TRP 119           HH2      TRP 119  -3.895  18.299 -13.845
  339    H    ALA 120           H        ALA 120  -6.990  13.501  -6.269
  340    HA   ALA 120           HA       ALA 120  -5.564  11.096  -6.647
  341    HB1  ALA 120           HB1      ALA 120  -6.272  12.291  -3.961
  342    HB2  ALA 120           HB2      ALA 120  -4.837  11.338  -4.417
  343    HB3  ALA 120           HB3      ALA 120  -5.036  12.995  -5.027
  344    H    THR 121           H        THR 121  -5.590   9.467  -5.185
  345    HA   THR 121           HA       THR 121  -8.123   8.031  -4.361
  346    HB   THR 121           HB       THR 121  -5.814   6.980  -6.023
  347    HG1  THR 121           HG1      THR 121  -8.519   7.426  -6.828
  348   HG21  THR 121          HG21      THR 121  -6.743   5.189  -4.692
  349   HG22  THR 121          HG22      THR 121  -8.400   5.786  -4.966
  350   HG23  THR 121          HG23      THR 121  -7.473   5.015  -6.296
  351    H    LEU 122           H        LEU 122  -7.783   6.707  -2.587
  352    HA   LEU 122           HA       LEU 122  -5.155   7.069  -1.181
  353    HB2  LEU 122           HB2      LEU 122  -7.390   8.040  -0.329
  354    HB3  LEU 122           HB3      LEU 122  -7.784   6.392   0.137
  355    HG   LEU 122           HG       LEU 122  -5.335   7.988   1.033
  356   HD11  LEU 122          HD11      LEU 122  -6.479   8.128   3.203
  357   HD12  LEU 122          HD12      LEU 122  -7.494   8.827   1.934
  358   HD13  LEU 122          HD13      LEU 122  -7.859   7.203   2.558
  359   HD21  LEU 122          HD21      LEU 122  -4.662   5.752   1.230
  360   HD22  LEU 122          HD22      LEU 122  -5.205   6.172   2.845
  361   HD23  LEU 122          HD23      LEU 122  -6.264   5.203   1.799
  362    H    LEU 123           H        LEU 123  -3.916   5.408  -0.976
  363    HA   LEU 123           HA       LEU 123  -4.920   2.620  -1.368
  364    HB2  LEU 123           HB2      LEU 123  -2.312   3.945  -2.243
  365    HB3  LEU 123           HB3      LEU 123  -2.716   2.242  -2.459
  366    HG   LEU 123           HG       LEU 123  -4.100   4.639  -3.739
  367   HD11  LEU 123          HD11      LEU 123  -3.134   3.632  -5.813
  368   HD12  LEU 123          HD12      LEU 123  -1.893   4.137  -4.638
  369   HD13  LEU 123          HD13      LEU 123  -2.305   2.424  -4.817
  370   HD21  LEU 123          HD21      LEU 123  -4.636   1.646  -4.096
  371   HD22  LEU 123          HD22      LEU 123  -5.766   2.831  -3.409
  372   HD23  LEU 123          HD23      LEU 123  -5.315   2.939  -5.112
  373    H    GLY 124           H        GLY 124  -4.606   1.282   0.164
  374    HA2  GLY 124           HA2      GLY 124  -3.311   2.063   2.651
  375    HA3  GLY 124           HA3      GLY 124  -4.208   0.582   2.346
  376    H    HIS 125           H        HIS 125  -2.176   0.213  -0.047
  377    HA   HIS 125           HA       HIS 125   0.313  -0.534   1.343
  378    HB2  HIS 125           HB2      HIS 125  -1.053  -2.430   1.770
  379    HB3  HIS 125           HB3      HIS 125  -1.542  -2.562   0.078
  380    HD1  HIS 125           HD1      HIS 125   0.337  -3.570  -1.617
  381    HD2  HIS 125           HD2      HIS 125   1.361  -3.370   2.471
  382    HE1  HIS 125           HE1      HIS 125   2.462  -5.011  -1.331
  383    HE2  HIS 125           HE2      HIS 125   3.078  -4.882   1.170
  384    H5'   DC   1           H5'       DC   1  -4.392  29.591   7.302
  385   H5''   DC   1          H5''       DC   1  -2.933  30.336   6.669
  386    H4'   DC   1           H4'       DC   1  -2.779  30.254   9.051
  387    H3'   DC   1           H3'       DC   1  -0.864  29.084   7.384
  388    H2'   DC   1           H2'       DC   1  -1.115  26.919   7.924
  389   H2''   DC   1          H2''       DC   1  -0.196  27.278   9.371
  390    H1'   DC   1           H1'       DC   1  -2.031  27.532  10.737
  391    H41   DC   1           H41       DC   1  -4.895  21.949   8.602
  392    H42   DC   1           H42       DC   1  -4.870  21.943  10.369
  393    H5    DC   1           H5        DC   1  -3.967  23.851   7.300
  394    H6    DC   1           H6        DC   1  -2.962  26.043   7.531
  395   HO5'   DC   1          H5T        DC   1  -3.574  28.463   5.425
  396    H5'   DG   2           H5'       DG   2   0.209  29.256  12.044
  397   H5''   DG   2          H5''       DG   2   1.784  30.041  12.160
  398    H4'   DG   2           H4'       DG   2   1.767  28.501  13.899
  399    H3'   DG   2           H3'       DG   2   3.685  28.137  11.879
  400    H2'   DG   2           H2'       DG   2   2.655  26.267  10.957
  401   H2''   DG   2          H2''       DG   2   3.664  25.419  12.138
  402    H1'   DG   2           H1'       DG   2   1.914  25.332  13.757
  403    H8    DG   2           H8        DG   2   0.779  25.516  10.105
  404    H1    DG   2           H1        DG   2  -1.500  20.471  13.403
  405    H21   DG   2           H21       DG   2   0.299  21.858  15.982
  406    H22   DG   2           H22       DG   2  -0.739  20.542  15.432
  407    H5'   DC   3           H5'       DC   3   4.021  25.594  15.844
  408   H5''   DC   3          H5''       DC   3   5.700  25.522  16.370
  409    H4'   DC   3           H4'       DC   3   4.593  23.473  16.961
  410    H3'   DC   3           H3'       DC   3   6.853  23.440  15.117
  411    H2'   DC   3           H2'       DC   3   6.029  21.977  13.621
  412   H2''   DC   3          H2''       DC   3   5.964  20.735  14.883
  413    H1'   DC   3           H1'       DC   3   3.759  21.059  15.356
  414    H41   DC   3           H41       DC   3   1.671  21.729   9.110
  415    H42   DC   3           H42       DC   3   0.978  20.268   9.828
  416    H5    DC   3           H5        DC   3   3.333  23.070  10.324
  417    H6    DC   3           H6        DC   3   4.425  23.328  12.543
  418    H5'   DA   4           H5'       DA   4   6.012  19.646  17.413
  419   H5''   DA   4          H5''       DA   4   7.434  18.890  18.130
  420    H4'   DA   4           H4'       DA   4   6.101  17.165  17.232
  421    H3'   DA   4           H3'       DA   4   8.725  17.595  16.115
  422    H2'   DA   4           H2'       DA   4   7.964  17.944  13.996
  423   H2''   DA   4          H2''       DA   4   7.885  16.182  13.900
  424    H1'   DA   4           H1'       DA   4   5.580  16.118  14.550
  425    H8    DA   4           H8        DA   4   6.699  19.391  12.920
  426    H61   DA   4           H61       DA   4   2.334  18.006   8.639
  427    H62   DA   4           H62       DA   4   3.481  19.239   9.131
  428    H2    DA   4           H2        DA   4   2.481  14.747  11.502
  429    H5'   DT   5           H5'       DT   5   6.880  13.330  15.553
  430   H5''   DT   5          H5''       DT   5   8.105  12.079  15.769
  431    H4'   DT   5           H4'       DT   5   6.690  11.479  13.921
  432    H3'   DT   5           H3'       DT   5   9.527  11.922  13.505
  433    H2'   DT   5           H2'       DT   5   9.292  13.363  11.776
  434   H2''   DT   5          H2''       DT   5   8.816  11.969  10.797
  435    H1'   DT   5           H1'       DT   5   6.513  12.251  11.203
  436    H3    DT   5           H3        DT   5   5.067  15.494   8.405
  437    H71   DT   5           H71       DT   5   9.357  17.406  11.175
  438    H72   DT   5           H72       DT   5   9.145  17.819   9.461
  439    H73   DT   5           H73       DT   5   8.084  18.550  10.665
  440    H6    DT   5           H6        DT   5   8.573  15.339  11.722
  441    H5'   DA   6           H5'       DA   6   7.168   8.917  10.628
  442   H5''   DA   6          H5''       DA   6   8.207   7.494  10.525
  443    H4'   DA   6           H4'       DA   6   7.013   7.662   8.500
  444    H3'   DA   6           H3'       DA   6   9.811   7.588   8.456
  445    H2'   DA   6           H2'       DA   6  10.203   9.754   7.849
  446   H2''   DA   6          H2''       DA   6   9.911   9.192   6.219
  447    H1'   DA   6           H1'       DA   6   7.729   9.962   6.131
  448    H8    DA   6           H8        DA   6   9.939  11.620   8.802
  449    H61   DA   6           H61       DA   6   8.010  16.922   6.109
  450    H62   DA   6           H62       DA   6   9.173  16.257   7.253
  451    H2    DA   6           H2        DA   6   5.745  13.657   4.364
  452    H5'   DT   7           H5'       DT   7   7.118   7.658   4.977
  453   H5''   DT   7          H5''       DT   7   7.431   6.538   3.648
  454    H4'   DT   7           H4'       DT   7   6.388   8.599   2.881
  455    H3'   DT   7           H3'       DT   7   8.743   7.515   1.739
  456    H2'   DT   7           H2'       DT   7  10.102   9.273   2.462
  457   H2''   DT   7          H2''       DT   7   9.544  10.016   0.943
  458    H1'   DT   7           H1'       DT   7   7.678  11.079   2.004
  459    H3    DT   7           H3        DT   7   9.630  14.928   3.321
  460    H71   DT   7           H71       DT   7  12.117  10.821   5.901
  461    H72   DT   7           H72       DT   7  13.039  12.258   5.399
  462    H73   DT   7           H73       DT   7  11.905  12.377   6.745
  463    H6    DT   7           H6        DT   7  10.416  10.302   4.383
  464    H5'   DA   8           H5'       DA   8   7.407  10.700  -1.469
  465   H5''   DA   8          H5''       DA   8   7.543   9.859  -3.012
  466    H4'   DA   8           H4'       DA   8   8.754  11.831  -3.313
  467    H3'   DA   8           H3'       DA   8  10.497   9.460  -3.008
  468    H2'   DA   8           H2'       DA   8  11.914  10.491  -1.584
  469   H2''   DA   8          H2''       DA   8  12.416  11.501  -2.965
  470    H1'   DA   8           H1'       DA   8  10.920  13.218  -2.456
  471    H8    DA   8           H8        DA   8  11.590  11.048   0.762
  472    H61   DA   8           H61       DA   8  13.255  16.665   3.057
  473    H62   DA   8           H62       DA   8  13.056  14.989   3.571
  474    H2    DA   8           H2        DA   8  12.083  17.218  -0.963
  475    H5'   DT   9           H5'       DT   9  10.893  13.001  -5.857
  476   H5''   DT   9          H5''       DT   9  11.500  12.447  -7.426
  477    H4'   DT   9           H4'       DT   9  11.957  14.776  -7.216
  478    H3'   DT   9           H3'       DT   9  14.006  12.924  -7.666
  479    H2'   DT   9           H2'       DT   9  15.052  13.095  -5.660
  480   H2''   DT   9          H2''       DT   9  15.822  14.525  -6.344
  481    H1'   DT   9           H1'       DT   9  14.301  16.026  -5.413
  482    H3    DT   9           H3        DT   9  15.253  16.495  -1.025
  483    H71   DT   9           H71       DT   9  15.962  11.723  -0.982
  484    H72   DT   9           H72       DT   9  14.286  11.797  -0.445
  485    H73   DT   9           H73       DT   9  14.673  11.165  -2.065
  486    H6    DT   9           H6        DT   9  14.209  12.666  -3.773
  487    H5'   DG  10           H5'       DG  10  14.828  17.517  -7.773
  488   H5''   DG  10          H5''       DG  10  15.649  17.894  -9.289
  489    H4'   DG  10           H4'       DG  10  16.393  19.481  -7.720
  490    H3'   DG  10           H3'       DG  10  18.259  17.783  -8.959
  491    H2'   DG  10           H2'       DG  10  18.675  16.508  -7.057
  492   H2''   DG  10          H2''       DG  10  19.899  17.757  -6.766
  493    H1'   DG  10           H1'       DG  10  18.448  19.031  -5.372
  494    H8    DG  10           H8        DG  10  17.734  15.271  -5.491
  495    H1    DG  10           H1        DG  10  19.020  17.645   0.359
  496    H21   DG  10           H21       DG  10  19.394  20.587  -1.367
  497    H22   DG  10           H22       DG  10  19.527  19.730   0.171
  498    H5'   DC  11           H5'       DC  11  19.712  21.623  -6.561
  499   H5''   DC  11          H5''       DC  11  20.815  22.468  -7.648
  500    H4'   DC  11           H4'       DC  11  21.388  23.049  -5.424
  501    H3'   DC  11           H3'       DC  11  23.278  21.954  -7.160
  502    H2'   DC  11           H2'       DC  11  23.488  19.887  -6.167
  503   H2''   DC  11          H2''       DC  11  24.616  20.701  -5.087
  504    H1'   DC  11           H1'       DC  11  23.055  21.059  -3.416
  505    H41   DC  11           H41       DC  11  21.009  14.777  -3.198
  506    H42   DC  11           H42       DC  11  21.359  15.337  -1.556
  507    H5    DC  11           H5        DC  11  21.361  16.200  -5.127
  508    H6    DC  11           H6        DC  11  21.939  18.522  -5.808
  509    H5'   DG  12           H5'       DG  12  25.288  23.231  -3.185
  510   H5''   DG  12          H5''       DG  12  26.911  23.885  -3.396
  511    H4'   DG  12           H4'       DG  12  26.977  22.237  -1.668
  512    H3'   DG  12           H3'       DG  12  28.276  21.361  -4.233
  513   HO3'   DG  12          H3T        DG  12  30.150  21.605  -2.892
  514    H2'   DG  12           H2'       DG  12  28.274  19.194  -3.649
  515   H2''   DG  12          H2''       DG  12  28.846  19.542  -1.999
  516    H1'   DG  12           H1'       DG  12  26.741  19.635  -1.116
  517    H8    DG  12           H8        DG  12  26.015  18.690  -4.768
  518    H1    DG  12           H1        DG  12  24.459  14.289  -0.312
  519    H21   DG  12           H21       DG  12  25.873  16.595   1.824
  520    H22   DG  12           H22       DG  12  25.222  14.968   1.642
  521    H5'   DC  13           H5'       DC  13  24.728   7.511   4.647
  522   H5''   DC  13          H5''       DC  13  24.088   7.600   6.279
  523    H4'   DC  13           H4'       DC  13  25.517   9.483   5.884
  524    H3'   DC  13           H3'       DC  13  22.894   9.724   6.767
  525    H2'   DC  13           H2'       DC  13  22.009  10.628   4.815
  526   H2''   DC  13          H2''       DC  13  22.550  12.158   5.537
  527    H1'   DC  13           H1'       DC  13  24.616  12.119   4.423
  528    H41   DC  13           H41       DC  13  21.906  11.729  -1.589
  529    H42   DC  13           H42       DC  13  23.151  12.982  -1.615
  530    H5    DC  13           H5        DC  13  21.384  10.448   0.429
  531    H6    DC  13           H6        DC  13  22.053  10.095   2.745
  532   HO5'   DC  13          H5T        DC  13  22.466   6.979   4.705
  533    H5'   DG  14           H5'       DG  14  25.611  13.889   7.097
  534   H5''   DG  14          H5''       DG  14  25.324  14.287   8.789
  535    H4'   DG  14           H4'       DG  14  25.675  16.328   7.760
  536    H3'   DG  14           H3'       DG  14  23.222  15.903   8.991
  537    H2'   DG  14           H2'       DG  14  21.966  15.598   7.045
  538   H2''   DG  14          H2''       DG  14  21.810  17.336   7.117
  539    H1'   DG  14           H1'       DG  14  23.503  17.737   5.583
  540    H8    DG  14           H8        DG  14  21.991  14.236   5.398
  541    H1    DG  14           H1        DG  14  22.260  17.405  -0.207
  542    H21   DG  14           H21       DG  14  23.780  19.820   1.700
  543    H22   DG  14           H22       DG  14  23.160  19.345   0.116
  544    H5'   DC  15           H5'       DC  15  23.782  20.028   7.092
  545   H5''   DC  15          H5''       DC  15  23.084  21.410   7.937
  546    H4'   DC  15           H4'       DC  15  22.648  21.526   5.554
  547    H3'   DC  15           H3'       DC  15  20.305  21.181   7.368
  548    H2'   DC  15           H2'       DC  15  19.007  20.266   5.789
  549   H2''   DC  15          H2''       DC  15  19.349  21.582   4.645
  550    H1'   DC  15           H1'       DC  15  21.090  20.536   3.641
  551    H41   DC  15           H41       DC  15  18.314  14.560   3.203
  552    H42   DC  15           H42       DC  15  18.368  15.331   1.610
  553    H5    DC  15           H5        DC  15  18.997  15.798   5.228
  554    H6    DC  15           H6        DC  15  20.012  17.933   5.985
  555    H5'   DA  16           H5'       DA  16  20.425  23.709   3.751
  556   H5''   DA  16          H5''       DA  16  19.850  25.365   3.970
  557    H4'   DA  16           H4'       DA  16  19.283  24.734   1.784
  558    H3'   DA  16           H3'       DA  16  17.233  25.418   3.625
  559    H2'   DA  16           H2'       DA  16  16.385  23.270   3.738
  560   H2''   DA  16          H2''       DA  16  15.415  23.808   2.370
  561    H1'   DA  16           H1'       DA  16  16.972  22.931   0.760
  562    H8    DA  16           H8        DA  16  17.096  21.237   4.175
  563    H61   DA  16           H61       DA  16  15.596  16.054   0.993
  564    H62   DA  16           H62       DA  16  16.147  16.625   2.562
  565    H2    DA  16           H2        DA  16  15.283  19.403  -1.718
  566    H5'   DT  17           H5'       DT  17  15.884  24.926  -0.768
  567   H5''   DT  17          H5''       DT  17  14.865  26.268  -1.284
  568    H4'   DT  17           H4'       DT  17  14.029  24.273  -2.271
  569    H3'   DT  17           H3'       DT  17  12.357  25.822  -0.535
  570    H2'   DT  17           H2'       DT  17  12.046  24.142   0.998
  571   H2''   DT  17          H2''       DT  17  10.808  23.558  -0.120
  572    H1'   DT  17           H1'       DT  17  12.337  22.126  -1.274
  573    H3    DT  17           H3        DT  17  12.731  18.297   1.111
  574    H71   DT  17           H71       DT  17  13.592  22.485   4.477
  575    H72   DT  17           H72       DT  17  12.665  21.092   5.058
  576    H73   DT  17           H73       DT  17  14.406  20.932   4.776
  577    H6    DT  17           H6        DT  17  13.223  22.938   2.271
  578    H5'   DA  18           H5'       DA  18  10.486  22.550  -2.923
  579   H5''   DA  18          H5''       DA  18   9.153  23.131  -3.918
  580    H4'   DA  18           H4'       DA  18   8.471  21.023  -3.279
  581    H3'   DA  18           H3'       DA  18   7.013  23.160  -1.911
  582    H2'   DA  18           H2'       DA  18   7.473  22.353   0.147
  583   H2''   DA  18          H2''       DA  18   6.176  21.191  -0.211
  584    H1'   DA  18           H1'       DA  18   7.694  19.558  -0.980
  585    H8    DA  18           H8        DA  18   9.035  21.944   1.720
  586    H61   DA  18           H61       DA  18  10.670  16.513   4.477
  587    H62   DA  18           H62       DA  18  10.619  18.251   4.793
  588    H2    DA  18           H2        DA  18   9.301  15.632   0.545
  589    H5'   DT  19           H5'       DT  19   5.734  18.849  -2.433
  590   H5''   DT  19          H5''       DT  19   4.194  18.841  -3.300
  591    H4'   DT  19           H4'       DT  19   3.881  17.069  -1.810
  592    H3'   DT  19           H3'       DT  19   2.376  19.429  -1.148
  593    H2'   DT  19           H2'       DT  19   3.708  19.969   0.638
  594   H2''   DT  19          H2''       DT  19   2.510  18.946   1.474
  595    H1'   DT  19           H1'       DT  19   3.843  16.932   1.071
  596    H3    DT  19           H3        DT  19   6.700  16.460   4.476
  597    H71   DT  19           H71       DT  19   6.010  21.333   4.766
  598    H72   DT  19           H72       DT  19   7.691  21.153   4.277
  599    H73   DT  19           H73       DT  19   6.500  21.740   3.097
  600    H6    DT  19           H6        DT  19   5.408  20.197   1.734
  601    H5'   DA  20           H5'       DA  20  -1.471  15.681  -0.231
  602   H5''   DA  20          H5''       DA  20  -0.157  16.434   0.666
  603    H4'   DA  20           H4'       DA  20  -0.079  13.498  -0.119
  604    H3'   DA  20           H3'       DA  20  -1.997  14.660   1.513
  605    H2'   DA  20           H2'       DA  20  -0.574  15.687   2.977
  606   H2''   DA  20          H2''       DA  20  -0.683  14.155   3.857
  607    H1'   DA  20           H1'       DA  20   1.338  13.317   3.000
  608    H8    DA  20           H8        DA  20   1.527  17.094   2.123
  609    H61   DA  20           H61       DA  20   4.948  17.617   7.295
  610    H62   DA  20           H62       DA  20   4.202  18.541   5.987
  611    H2    DA  20           H2        DA  20   3.757  13.483   6.951
  612    H5'   DT  21           H5'       DT  21  -0.310  11.334   3.991
  613   H5''   DT  21          H5''       DT  21  -1.613  10.146   4.087
  614    H4'   DT  21           H4'       DT  21  -0.570   9.970   6.149
  615    H3'   DT  21           H3'       DT  21  -3.193  10.851   6.128
  616    H2'   DT  21           H2'       DT  21  -2.812  13.071   6.622
  617   H2''   DT  21          H2''       DT  21  -2.854  12.471   8.294
  618    H1'   DT  21           H1'       DT  21  -0.567  12.269   8.468
  619    H3    DT  21           H3        DT  21   1.708  16.116   8.857
  620    H71   DT  21           H71       DT  21  -0.299  17.557   4.675
  621    H72   DT  21           H72       DT  21  -1.876  16.725   4.774
  622    H73   DT  21           H73       DT  21  -1.499  18.074   5.859
  623    H6    DT  21           H6        DT  21  -1.690  14.638   5.758
  624    H5'   DG  22           H5'       DG  22  -1.460  10.059  10.403
  625   H5''   DG  22          H5''       DG  22  -2.668   9.239  11.409
  626    H4'   DG  22           H4'       DG  22  -1.615  10.869  12.760
  627    H3'   DG  22           H3'       DG  22  -4.429  11.200  12.220
  628    H2'   DG  22           H2'       DG  22  -4.117  13.253  11.176
  629   H2''   DG  22          H2''       DG  22  -4.119  13.870  12.847
  630    H1'   DG  22           H1'       DG  22  -1.734  13.673  13.019
  631    H8    DG  22           H8        DG  22  -3.109  14.449   9.520
  632    H1    DG  22           H1        DG  22   0.909  18.826  12.033
  633    H21   DG  22           H21       DG  22   0.987  16.604  14.660
  634    H22   DG  22           H22       DG  22   1.520  18.160  14.017
  635    H5'   DC  23           H5'       DC  23  -2.051  12.784  15.981
  636   H5''   DC  23          H5''       DC  23  -3.028  12.326  17.373
  637    H4'   DC  23           H4'       DC  23  -1.652  14.128  18.029
  638    H3'   DC  23           H3'       DC  23  -4.433  14.297  18.253
  639    H2'   DC  23           H2'       DC  23  -4.805  15.843  16.593
  640   H2''   DC  23          H2''       DC  23  -4.401  17.033  17.811
  641    H1'   DC  23           H1'       DC  23  -2.192  17.258  17.141
  642    H41   DC  23           H41       DC  23  -3.944  18.263  10.837
  643    H42   DC  23           H42       DC  23  -2.899  19.588  11.376
  644    H5    DC  23           H5        DC  23  -4.556  16.435  12.327
  645    H6    DC  23           H6        DC  23  -4.164  15.519  14.609
  646    H5'   DG  24           H5'       DG  24  -2.528  18.006  20.199
  647   H5''   DG  24          H5''       DG  24  -3.366  18.528  21.660
  648    H4'   DG  24           H4'       DG  24  -3.103  20.434  20.271
  649    H3'   DG  24           H3'       DG  24  -5.941  19.404  20.192
  650   HO3'   DG  24          H3T        DG  24  -5.312  20.560  22.094
  651    H2'   DG  24           H2'       DG  24  -6.453  20.647  18.411
  652   H2''   DG  24          H2''       DG  24  -5.607  22.084  19.037
  653    H1'   DG  24           H1'       DG  24  -3.646  21.585  17.984
  654    H8    DG  24           H8        DG  24  -5.909  18.756  16.707
  655    H1    DG  24           H1        DG  24  -4.066  23.163  12.361
  656    H21   DG  24           H21       DG  24  -2.443  24.515  15.089
  657    H22   DG  24           H22       DG  24  -2.888  24.707  13.396
  Start of MODEL   18
    1    H    ALA  79           H1       ALA  79  -1.886   6.147   9.066
    2    HA   ALA  79           HA       ALA  79   1.025   5.864   9.545
    3    HB1  ALA  79           HB1      ALA  79  -0.180   3.716   9.494
    4    HB2  ALA  79           HB2      ALA  79  -1.024   4.194   8.011
    5    HB3  ALA  79           HB3      ALA  79   0.741   3.909   7.991
    6    H    ARG  80           H        ARG  80   2.362   6.046   7.720
    7    HA   ARG  80           HA       ARG  80   1.839   8.229   5.902
    8    HB2  ARG  80           HB2      ARG  80   4.057   6.155   6.025
    9    HB3  ARG  80           HB3      ARG  80   4.060   7.523   4.903
   10    HG2  ARG  80           HG2      ARG  80   3.682   7.954   7.876
   11    HG3  ARG  80           HG3      ARG  80   5.300   7.756   7.200
   12    HD2  ARG  80           HD2      ARG  80   5.153   9.752   5.944
   13    HD3  ARG  80           HD3      ARG  80   3.399   9.821   6.080
   14    HE   ARG  80           HE       ARG  80   5.398  10.573   8.150
   15   HH11  ARG  80          HH11      ARG  80   1.949  10.400   7.360
   16   HH12  ARG  80          HH12      ARG  80   1.570  11.465   8.679
   17   HH21  ARG  80          HH22      ARG  80   4.675  12.061   9.674
   18   HH22  ARG  80          HH21      ARG  80   2.953  12.251   9.944
   19    H    LYS  81           H        LYS  81  -0.271   7.266   5.182
   20    HA   LYS  81           HA       LYS  81  -0.580   5.178   3.292
   21    HB2  LYS  81           HB2      LYS  81  -2.142   7.716   3.968
   22    HB3  LYS  81           HB3      LYS  81  -2.724   6.519   2.823
   23    HG2  LYS  81           HG2      LYS  81  -3.232   4.961   4.415
   24    HG3  LYS  81           HG3      LYS  81  -1.963   5.477   5.538
   25    HD2  LYS  81           HD2      LYS  81  -3.204   7.397   6.246
   26    HD3  LYS  81           HD3      LYS  81  -4.430   7.172   4.988
   27    HE2  LYS  81           HE2      LYS  81  -5.231   5.119   5.992
   28    HE3  LYS  81           HE3      LYS  81  -3.870   5.054   7.111
   29    HZ1  LYS  81           HZ1      LYS  81  -4.698   7.016   8.239
   30    HZ2  LYS  81           HZ2      LYS  81  -5.914   7.219   7.161
   31    HZ3  LYS  81           HZ3      LYS  81  -5.921   5.924   8.163
   32    H    VAL  82           H        VAL  82  -0.450   5.116   1.284
   33    HA   VAL  82           HA       VAL  82   0.822   7.134  -0.425
   34    HB   VAL  82           HB       VAL  82  -0.475   4.445  -1.048
   35   HG11  VAL  82          HG11      VAL  82   1.104   6.297  -2.881
   36   HG12  VAL  82          HG12      VAL  82   0.843   4.572  -3.200
   37   HG13  VAL  82          HG13      VAL  82  -0.548   5.646  -3.103
   38   HG21  VAL  82          HG21      VAL  82   1.528   4.342   0.391
   39   HG22  VAL  82          HG22      VAL  82   1.742   3.560  -1.182
   40   HG23  VAL  82          HG23      VAL  82   2.462   5.154  -0.911
   41    H    LYS  83           H        LYS  83  -0.141   8.562  -1.750
   42    HA   LYS  83           HA       LYS  83  -3.020   8.254  -2.409
   43    HB2  LYS  83           HB2      LYS  83  -1.344  10.712  -1.974
   44    HB3  LYS  83           HB3      LYS  83  -2.503  10.717  -3.325
   45    HG2  LYS  83           HG2      LYS  83  -4.351  10.150  -1.888
   46    HG3  LYS  83           HG3      LYS  83  -3.293  10.079  -0.463
   47    HD2  LYS  83           HD2      LYS  83  -2.818  12.445  -0.584
   48    HD3  LYS  83           HD3      LYS  83  -3.476  12.552  -2.221
   49    HE2  LYS  83           HE2      LYS  83  -5.087  13.566  -0.809
   50    HE3  LYS  83           HE3      LYS  83  -5.750  12.036  -1.392
   51    HZ1  LYS  83           HZ1      LYS  83  -6.176  12.244   0.979
   52    HZ2  LYS  83           HZ2      LYS  83  -5.016  11.078   0.831
   53    HZ3  LYS  83           HZ3      LYS  83  -4.618  12.570   1.333
   54    H    GLN  84           H        GLN  84  -3.420   7.701  -4.439
   55    HA   GLN  84           HA       GLN  84  -1.218   7.679  -6.413
   56    HB2  GLN  84           HB2      GLN  84  -2.154   5.688  -6.919
   57    HB3  GLN  84           HB3      GLN  84  -3.663   6.038  -6.060
   58    HG2  GLN  84           HG2      GLN  84  -4.457   7.300  -7.991
   59    HG3  GLN  84           HG3      GLN  84  -2.933   6.968  -8.867
   60   HE21  GLN  84          HE21      GLN  84  -2.421   4.517  -9.181
   61   HE22  GLN  84          HE22      GLN  84  -3.819   3.485  -9.427
   62    H    TYR  85           H        TYR  85  -1.455   9.006  -8.158
   63    HA   TYR  85           HA       TYR  85  -3.801  10.867  -8.253
   64    HB2  TYR  85           HB2      TYR  85  -0.904  11.652  -8.795
   65    HB3  TYR  85           HB3      TYR  85  -2.309  12.690  -8.901
   66    HD1  TYR  85           HD2      TYR  85  -3.489  13.464  -6.900
   67    HD2  TYR  85           HD1      TYR  85   0.161  11.195  -6.641
   68    HE1  TYR  85           HE2      TYR  85  -3.138  14.318  -4.585
   69    HE2  TYR  85           HE1      TYR  85   0.524  12.023  -4.328
   70    HH   TYR  85           HH       TYR  85  -0.243  13.475  -2.663
   71    H    LYS  86           H        LYS  86  -4.598  11.171 -10.334
   72    HA   LYS  86           HA       LYS  86  -3.106  10.020 -12.656
   73    HB2  LYS  86           HB2      LYS  86  -4.689   8.335 -11.976
   74    HB3  LYS  86           HB3      LYS  86  -6.000   9.517 -11.834
   75    HG2  LYS  86           HG2      LYS  86  -6.087   9.854 -14.225
   76    HG3  LYS  86           HG3      LYS  86  -4.594   8.936 -14.472
   77    HD2  LYS  86           HD2      LYS  86  -5.740   6.888 -13.582
   78    HD3  LYS  86           HD3      LYS  86  -7.241   7.831 -13.439
   79    HE2  LYS  86           HE2      LYS  86  -7.133   8.299 -15.902
   80    HE3  LYS  86           HE3      LYS  86  -5.657   7.328 -16.009
   81    HZ1  LYS  86           HZ1      LYS  86  -8.328   6.284 -15.184
   82    HZ2  LYS  86           HZ2      LYS  86  -7.621   6.024 -16.630
   83    HZ3  LYS  86           HZ3      LYS  86  -6.968   5.381 -15.279
   84    H    ASN  87           H        ASN  87  -3.148  11.286 -14.438
   85    HA   ASN  87           HA       ASN  87  -4.479  13.940 -14.091
   86    HB2  ASN  87           HB2      ASN  87  -2.094  13.810 -14.172
   87    HB3  ASN  87           HB3      ASN  87  -2.126  13.094 -15.778
   88   HD21  ASN  87          HD22      ASN  87  -0.818  15.566 -14.987
   89   HD22  ASN  87          HD21      ASN  87  -1.659  16.855 -15.850
   90    HA   PRO  88           HA       PRO  88  -7.444  12.687 -17.334
   91    HB2  PRO  88           HB2      PRO  88  -8.107  15.610 -16.946
   92    HB3  PRO  88           HB3      PRO  88  -9.218  14.222 -17.127
   93    HG2  PRO  88           HG2      PRO  88  -8.734  15.272 -14.670
   94    HG3  PRO  88           HG3      PRO  88  -8.781  13.491 -14.880
   95    HD2  PRO  88           HD2      PRO  88  -6.366  15.302 -14.723
   96    HD3  PRO  88           HD3      PRO  88  -6.656  13.717 -13.949
   97    H    HIS  89           H        HIS  89  -5.167  15.398 -17.448
   98    HA   HIS  89           HA       HIS  89  -5.686  16.020 -20.282
   99    HB2  HIS  89           HB2      HIS  89  -3.654  17.190 -18.348
  100    HB3  HIS  89           HB3      HIS  89  -4.140  17.864 -19.896
  101    HD1  HIS  89           HD1      HIS  89  -6.800  18.750 -20.009
  102    HD2  HIS  89           HD2      HIS  89  -5.098  17.849 -16.247
  103    HE1  HIS  89           HE1      HIS  89  -8.333  19.827 -18.242
  104    HE2  HIS  89           HE2      HIS  89  -7.289  19.291 -15.955
  105    H    THR  90           H        THR  90  -3.461  13.964 -18.610
  106    HA   THR  90           HA       THR  90  -1.771  13.701 -21.090
  107    HB   THR  90           HB       THR  90   0.127  13.269 -19.678
  108    HG1  THR  90           HG1      THR  90  -0.136  13.361 -17.412
  109   HG21  THR  90          HG21      THR  90  -1.340  15.640 -18.445
  110   HG22  THR  90          HG22      THR  90   0.415  15.364 -18.448
  111   HG23  THR  90          HG23      THR  90  -0.423  15.713 -19.973
  112    H    GLY  91           H        GLY  91  -3.617  11.960 -18.671
  113    HA2  GLY  91           HA2      GLY  91  -4.257   9.747 -18.600
  114    HA3  GLY  91           HA3      GLY  91  -3.306   9.401 -20.044
  115    H    GLU  92           H        GLU  92  -1.461  11.024 -17.565
  116    HA   GLU  92           HA       GLU  92   0.041   8.592 -16.979
  117    HB2  GLU  92           HB2      GLU  92   0.489  11.534 -16.487
  118    HB3  GLU  92           HB3      GLU  92   1.431  10.318 -15.634
  119    HG2  GLU  92           HG2      GLU  92   1.207  10.194 -18.629
  120    HG3  GLU  92           HG3      GLU  92   2.347  11.307 -17.845
  121    H    VAL  93           H        VAL  93   0.516   8.053 -14.919
  122    HA   VAL  93           HA       VAL  93  -1.227   8.889 -12.661
  123    HB   VAL  93           HB       VAL  93  -0.413   6.077 -13.349
  124   HG11  VAL  93          HG11      VAL  93  -2.222   5.401 -11.718
  125   HG12  VAL  93          HG12      VAL  93  -0.920   6.251 -10.923
  126   HG13  VAL  93          HG13      VAL  93  -2.437   7.099 -11.280
  127   HG21  VAL  93          HG21      VAL  93  -2.873   5.727 -13.933
  128   HG22  VAL  93          HG22      VAL  93  -3.052   7.497 -13.831
  129   HG23  VAL  93          HG23      VAL  93  -1.991   6.772 -15.054
  130    H    ILE  94           H        ILE  94  -0.343   8.464 -10.642
  131    HA   ILE  94           HA       ILE  94   2.481   7.749 -10.269
  132    HB   ILE  94           HB       ILE  94   1.892  10.012  -8.563
  133   HG12  ILE  94          HG12      ILE  94   1.931  10.867 -11.480
  134   HG13  ILE  94          HG13      ILE  94   0.498  10.875 -10.440
  135   HG21  ILE  94          HG21      ILE  94   4.053   9.841 -10.675
  136   HG22  ILE  94          HG22      ILE  94   4.069  10.722  -9.119
  137   HG23  ILE  94          HG23      ILE  94   4.125   8.971  -9.114
  138   HD11  ILE  94          HD11      ILE  94   1.691  12.355  -8.834
  139   HD12  ILE  94          HD12      ILE  94   3.011  12.514 -10.021
  140   HD13  ILE  94          HD13      ILE  94   1.386  13.089 -10.430
  141    H    GLU  95           H        GLU  95   2.967   7.679  -7.960
  142    HA   GLU  95           HA       GLU  95   0.802   7.390  -5.987
  143    HB2  GLU  95           HB2      GLU  95   2.681   5.214  -6.919
  144    HB3  GLU  95           HB3      GLU  95   2.063   5.224  -5.248
  145    HG2  GLU  95           HG2      GLU  95  -0.215   5.124  -6.005
  146    HG3  GLU  95           HG3      GLU  95   0.275   5.220  -7.701
  147    H    THR  96           H        THR  96   1.477   8.587  -4.287
  148    HA   THR  96           HA       THR  96   4.293   8.405  -3.354
  149    HB   THR  96           HB       THR  96   4.922  10.515  -3.681
  150    HG1  THR  96           HG1      THR  96   3.596  12.306  -3.403
  151   HG21  THR  96          HG21      THR  96   4.024  11.751  -5.602
  152   HG22  THR  96          HG22      THR  96   4.131  10.044  -6.024
  153   HG23  THR  96          HG23      THR  96   2.552  10.751  -5.590
  154    H    LYS  97           H        LYS  97   4.543   8.962  -1.106
  155    HA   LYS  97           HA       LYS  97   1.985   9.003   0.462
  156    HB2  LYS  97           HB2      LYS  97   4.824   8.686   1.398
  157    HB3  LYS  97           HB3      LYS  97   3.381   8.374   2.358
  158    HG2  LYS  97           HG2      LYS  97   2.860   6.388   1.117
  159    HG3  LYS  97           HG3      LYS  97   4.012   6.773  -0.154
  160    HD2  LYS  97           HD2      LYS  97   5.834   6.625   1.707
  161    HD3  LYS  97           HD3      LYS  97   4.589   5.818   2.652
  162    HE2  LYS  97           HE2      LYS  97   5.874   4.103   1.599
  163    HE3  LYS  97           HE3      LYS  97   4.347   4.160   0.715
  164    HZ1  LYS  97           HZ1      LYS  97   6.303   4.077  -0.791
  165    HZ2  LYS  97           HZ2      LYS  97   5.535   5.519  -1.008
  166    HZ3  LYS  97           HZ3      LYS  97   6.912   5.463  -0.157
  167    H    GLY  98           H        GLY  98   3.493  11.293  -1.015
  168    HA2  GLY  98           HA2      GLY  98   2.925  13.634  -0.292
  169    HA3  GLY  98           HA3      GLY  98   3.814  13.269   1.197
  170    H    GLY  99           H        GLY  99   4.986  15.147   0.582
  171    HA2  GLY  99           HA2      GLY  99   6.982  16.053   0.202
  172    HA3  GLY  99           HA3      GLY  99   7.552  14.477  -0.324
  173    H    ASN 100           H        ASN 100   8.631  16.677  -1.251
  174    HA   ASN 100           HA       ASN 100   7.972  17.611  -3.848
  175    HB2  ASN 100           HB2      ASN 100   9.660  18.723  -2.596
  176    HB3  ASN 100           HB3      ASN 100  10.431  17.231  -2.146
  177   HD21  ASN 100          HD22      ASN 100  12.298  18.546  -2.632
  178   HD22  ASN 100          HD21      ASN 100  12.991  18.181  -4.199
  179    H    HIS 101           H        HIS 101   7.236  16.133  -5.289
  180    HA   HIS 101           HA       HIS 101   9.104  14.002  -6.218
  181    HB2  HIS 101           HB2      HIS 101   7.191  13.111  -4.819
  182    HB3  HIS 101           HB3      HIS 101   6.074  13.720  -6.026
  183    HD1  HIS 101           HD1      HIS 101   8.908  11.048  -5.638
  184    HD2  HIS 101           HD2      HIS 101   5.770  12.234  -8.232
  185    HE1  HIS 101           HE1      HIS 101   8.647   9.182  -7.365
  186    HE2  HIS 101           HE2      HIS 101   6.772   9.899  -8.968
  187    H    LYS 102           H        LYS 102   9.647  14.254  -8.314
  188    HA   LYS 102           HA       LYS 102   9.253  16.545  -9.718
  189    HB2  LYS 102           HB2      LYS 102  11.000  14.987 -10.139
  190    HB3  LYS 102           HB3      LYS 102   9.899  13.849 -10.923
  191    HG2  LYS 102           HG2      LYS 102   9.614  15.191 -12.805
  192    HG3  LYS 102           HG3      LYS 102   9.969  16.701 -11.959
  193    HD2  LYS 102           HD2      LYS 102  12.124  14.615 -12.301
  194    HD3  LYS 102           HD3      LYS 102  11.715  15.723 -13.631
  195    HE2  LYS 102           HE2      LYS 102  12.170  17.671 -12.236
  196    HE3  LYS 102           HE3      LYS 102  12.473  16.653 -10.823
  197    HZ1  LYS 102           HZ1      LYS 102  14.425  15.773 -11.840
  198    HZ2  LYS 102           HZ2      LYS 102  14.109  16.483 -13.300
  199    HZ3  LYS 102           HZ3      LYS 102  14.522  17.400 -12.014
  200    H    THR 103           H        THR 103   7.489  13.645 -11.002
  201    HA   THR 103           HA       THR 103   5.951  15.116 -12.825
  202    HB   THR 103           HB       THR 103   5.022  12.581 -11.445
  203    HG1  THR 103           HG1      THR 103   6.108  11.590 -13.195
  204   HG21  THR 103          HG21      THR 103   4.317  14.011 -14.035
  205   HG22  THR 103          HG22      THR 103   3.939  12.278 -13.787
  206   HG23  THR 103          HG23      THR 103   3.223  13.507 -12.734
  207    H    LEU 104           H        LEU 104   5.132  14.399  -9.439
  208    HA   LEU 104           HA       LEU 104   2.477  15.456  -9.468
  209    HB2  LEU 104           HB2      LEU 104   3.427  13.892  -7.779
  210    HB3  LEU 104           HB3      LEU 104   4.507  15.169  -7.204
  211    HG   LEU 104           HG       LEU 104   2.618  16.469  -6.382
  212   HD11  LEU 104          HD11      LEU 104   0.850  15.804  -7.987
  213   HD12  LEU 104          HD12      LEU 104   0.901  14.141  -7.372
  214   HD13  LEU 104          HD13      LEU 104   0.333  15.453  -6.326
  215   HD21  LEU 104          HD21      LEU 104   1.933  14.969  -4.575
  216   HD22  LEU 104          HD22      LEU 104   2.467  13.559  -5.498
  217   HD23  LEU 104          HD23      LEU 104   3.651  14.765  -4.927
  218    H    LYS 105           H        LYS 105   5.657  16.997  -8.949
  219    HA   LYS 105           HA       LYS 105   4.547  19.628  -8.311
  220    HB2  LYS 105           HB2      LYS 105   7.315  18.665  -9.152
  221    HB3  LYS 105           HB3      LYS 105   6.963  20.357  -8.885
  222    HG2  LYS 105           HG2      LYS 105   6.704  18.131  -6.809
  223    HG3  LYS 105           HG3      LYS 105   8.030  19.281  -6.933
  224    HD2  LYS 105           HD2      LYS 105   5.155  19.861  -6.119
  225    HD3  LYS 105           HD3      LYS 105   6.606  19.976  -5.135
  226    HE2  LYS 105           HE2      LYS 105   7.446  21.819  -6.680
  227    HE3  LYS 105           HE3      LYS 105   5.891  21.759  -7.522
  228    HZ1  LYS 105           HZ1      LYS 105   6.305  22.483  -4.670
  229    HZ2  LYS 105           HZ2      LYS 105   5.759  23.474  -5.861
  230    HZ3  LYS 105           HZ3      LYS 105   4.836  22.218  -5.281
  231    H    GLU 106           H        GLU 106   5.366  18.016 -11.398
  232    HA   GLU 106           HA       GLU 106   5.209  20.461 -12.919
  233    HB2  GLU 106           HB2      GLU 106   4.530  17.696 -13.947
  234    HB3  GLU 106           HB3      GLU 106   5.067  19.120 -14.877
  235    HG2  GLU 106           HG2      GLU 106   7.230  18.907 -13.444
  236    HG3  GLU 106           HG3      GLU 106   6.553  17.315 -13.029
  237    H    TRP 107           H        TRP 107   2.935  17.880 -12.133
  238    HA   TRP 107           HA       TRP 107   0.689  18.966 -13.539
  239    HB2  TRP 107           HB2      TRP 107   0.691  17.296 -10.998
  240    HB3  TRP 107           HB3      TRP 107  -0.707  17.621 -12.031
  241    HD1  TRP 107           HD1      TRP 107   2.071  16.895 -14.331
  242    HE1  TRP 107           HE1      TRP 107   1.999  14.456 -15.102
  243    HE3  TRP 107           HE3      TRP 107  -1.342  15.056 -10.970
  244    HZ2  TRP 107           HZ2      TRP 107   0.856  12.004 -14.231
  245    HZ3  TRP 107           HZ3      TRP 107  -1.996  12.660 -11.078
  246    HH2  TRP 107           HH2      TRP 107  -0.870  11.126 -12.665
  247    H    LYS 108           H        LYS 108   1.807  19.685 -10.225
  248    HA   LYS 108           HA       LYS 108  -0.350  21.515  -9.589
  249    HB2  LYS 108           HB2      LYS 108   2.516  21.342  -8.564
  250    HB3  LYS 108           HB3      LYS 108   1.318  22.481  -7.948
  251    HG2  LYS 108           HG2      LYS 108  -0.191  20.557  -7.397
  252    HG3  LYS 108           HG3      LYS 108   1.099  19.448  -7.863
  253    HD2  LYS 108           HD2      LYS 108   2.608  20.641  -6.200
  254    HD3  LYS 108           HD3      LYS 108   1.184  21.555  -5.653
  255    HE2  LYS 108           HE2      LYS 108   0.042  19.295  -5.206
  256    HE3  LYS 108           HE3      LYS 108   1.555  18.510  -5.649
  257    HZ1  LYS 108           HZ1      LYS 108   1.062  20.243  -3.298
  258    HZ2  LYS 108           HZ2      LYS 108   1.632  18.695  -3.341
  259    HZ3  LYS 108           HZ3      LYS 108   2.586  19.977  -3.826
  260    H    ALA 109           H        ALA 109   2.692  21.916 -11.441
  261    HA   ALA 109           HA       ALA 109   2.566  24.783 -11.501
  262    HB1  ALA 109           HB1      ALA 109   3.910  22.858 -13.470
  263    HB2  ALA 109           HB2      ALA 109   4.294  24.558 -13.216
  264    HB3  ALA 109           HB3      ALA 109   4.621  23.372 -11.918
  265    H    LYS 110           H        LYS 110   1.825  22.214 -13.856
  266    HA   LYS 110           HA       LYS 110   0.947  23.896 -15.812
  267    HB2  LYS 110           HB2      LYS 110   0.875  20.908 -15.444
  268    HB3  LYS 110           HB3      LYS 110   0.222  21.665 -16.923
  269    HG2  LYS 110           HG2      LYS 110   2.490  22.917 -17.048
  270    HG3  LYS 110           HG3      LYS 110   3.087  21.741 -15.885
  271    HD2  LYS 110           HD2      LYS 110   1.935  21.124 -18.642
  272    HD3  LYS 110           HD3      LYS 110   3.648  21.260 -18.238
  273    HE2  LYS 110           HE2      LYS 110   3.304  19.325 -16.591
  274    HE3  LYS 110           HE3      LYS 110   1.708  19.089 -17.323
  275    HZ1  LYS 110           HZ1      LYS 110   3.372  17.685 -18.415
  276    HZ2  LYS 110           HZ2      LYS 110   2.829  18.791 -19.492
  277    HZ3  LYS 110           HZ3      LYS 110   4.297  18.968 -18.796
  278    H    TRP 111           H        TRP 111  -0.991  22.267 -13.379
  279    HA   TRP 111           HA       TRP 111  -3.450  23.585 -14.491
  280    HB2  TRP 111           HB2      TRP 111  -3.311  20.768 -13.378
  281    HB3  TRP 111           HB3      TRP 111  -4.764  21.602 -13.906
  282    HD1  TRP 111           HD1      TRP 111  -5.017  22.068 -16.562
  283    HE1  TRP 111           HE1      TRP 111  -4.021  20.909 -18.627
  284    HE3  TRP 111           HE3      TRP 111  -1.323  19.441 -14.266
  285    HZ2  TRP 111           HZ2      TRP 111  -1.832  19.091 -19.204
  286    HZ3  TRP 111           HZ3      TRP 111   0.283  18.053 -15.595
  287    HH2  TRP 111           HH2      TRP 111  -0.004  17.826 -18.046
  288    H    GLY 112           H        GLY 112  -2.155  22.037 -11.475
  289    HA2  GLY 112           HA2      GLY 112  -2.007  23.965  -9.749
  290    HA3  GLY 112           HA3      GLY 112  -3.750  24.027  -9.867
  291    HA   PRO 113           HA       PRO 113  -2.214  20.738  -6.706
  292    HB2  PRO 113           HB2      PRO 113  -2.625  22.139  -4.347
  293    HB3  PRO 113           HB3      PRO 113  -1.063  21.958  -5.191
  294    HG2  PRO 113           HG2      PRO 113  -3.005  24.266  -5.319
  295    HG3  PRO 113           HG3      PRO 113  -1.212  24.311  -5.187
  296    HD2  PRO 113           HD2      PRO 113  -2.490  24.713  -7.544
  297    HD3  PRO 113           HD3      PRO 113  -0.942  23.814  -7.475
  298    H    GLU 114           H        GLU 114  -4.949  23.074  -6.642
  299    HA   GLU 114           HA       GLU 114  -6.762  21.535  -5.088
  300    HB2  GLU 114           HB2      GLU 114  -7.510  23.247  -7.466
  301    HB3  GLU 114           HB3      GLU 114  -8.445  22.894  -5.990
  302    HG2  GLU 114           HG2      GLU 114  -6.667  24.192  -4.715
  303    HG3  GLU 114           HG3      GLU 114  -5.983  24.632  -6.290
  304    H    ALA 115           H        ALA 115  -6.174  21.700  -8.523
  305    HA   ALA 115           HA       ALA 115  -8.069  19.804  -9.462
  306    HB1  ALA 115           HB1      ALA 115  -6.848  19.914 -11.514
  307    HB2  ALA 115           HB2      ALA 115  -6.660  21.523 -10.770
  308    HB3  ALA 115           HB3      ALA 115  -5.329  20.322 -10.709
  309    H    VAL 116           H        VAL 116  -4.598  19.516  -8.872
  310    HA   VAL 116           HA       VAL 116  -4.228  16.882  -9.407
  311    HB   VAL 116           HB       VAL 116  -2.778  18.858  -7.656
  312   HG11  VAL 116          HG11      VAL 116  -2.106  16.703  -6.698
  313   HG12  VAL 116          HG12      VAL 116  -1.701  16.100  -8.318
  314   HG13  VAL 116          HG13      VAL 116  -0.798  17.465  -7.595
  315   HG21  VAL 116          HG21      VAL 116  -2.082  17.545 -10.306
  316   HG22  VAL 116          HG22      VAL 116  -2.899  19.109 -10.182
  317   HG23  VAL 116          HG23      VAL 116  -1.247  18.932  -9.544
  318    H    GLU 117           H        GLU 117  -4.915  18.292  -6.176
  319    HA   GLU 117           HA       GLU 117  -4.919  15.752  -4.768
  320    HB2  GLU 117           HB2      GLU 117  -6.148  18.472  -4.115
  321    HB3  GLU 117           HB3      GLU 117  -6.190  17.076  -3.039
  322    HG2  GLU 117           HG2      GLU 117  -3.719  17.003  -2.986
  323    HG3  GLU 117           HG3      GLU 117  -3.640  18.421  -4.031
  324    H    SER 118           H        SER 118  -7.418  17.580  -6.548
  325    HA   SER 118           HA       SER 118  -9.659  16.046  -5.523
  326    HB2  SER 118           HB2      SER 118  -9.451  17.676  -8.088
  327    HB3  SER 118           HB3      SER 118 -10.933  16.990  -7.413
  328    HG   SER 118           HG       SER 118  -9.271  19.023  -6.347
  329    H    TRP 119           H        TRP 119  -7.440  15.593  -8.254
  330    HA   TRP 119           HA       TRP 119  -8.853  13.341  -9.400
  331    HB2  TRP 119           HB2      TRP 119  -5.895  13.940  -9.603
  332    HB3  TRP 119           HB3      TRP 119  -6.897  13.000 -10.688
  333    HD1  TRP 119           HD1      TRP 119  -9.191  15.392 -10.944
  334    HE1  TRP 119           HE1      TRP 119  -8.669  17.366 -12.490
  335    HE3  TRP 119           HE3      TRP 119  -4.110  14.835 -11.279
  336    HZ2  TRP 119           HZ2      TRP 119  -6.336  18.588 -13.676
  337    HZ3  TRP 119           HZ3      TRP 119  -2.766  16.398 -12.669
  338    HH2  TRP 119           HH2      TRP 119  -3.858  18.286 -13.854
  339    H    ALA 120           H        ALA 120  -7.059  13.494  -6.413
  340    HA   ALA 120           HA       ALA 120  -5.581  11.129  -6.720
  341    HB1  ALA 120           HB1      ALA 120  -5.152  13.076  -5.111
  342    HB2  ALA 120           HB2      ALA 120  -6.360  12.325  -4.048
  343    HB3  ALA 120           HB3      ALA 120  -4.875  11.435  -4.488
  344    H    THR 121           H        THR 121  -5.567   9.510  -5.238
  345    HA   THR 121           HA       THR 121  -8.064   7.991  -4.446
  346    HB   THR 121           HB       THR 121  -5.699   7.048  -6.096
  347    HG1  THR 121           HG1      THR 121  -7.305   6.726  -7.717
  348   HG21  THR 121          HG21      THR 121  -6.489   5.215  -4.719
  349   HG22  THR 121          HG22      THR 121  -8.183   5.709  -4.981
  350   HG23  THR 121          HG23      THR 121  -7.228   4.967  -6.303
  351    H    LEU 122           H        LEU 122  -7.718   6.693  -2.662
  352    HA   LEU 122           HA       LEU 122  -5.112   7.091  -1.212
  353    HB2  LEU 122           HB2      LEU 122  -7.403   7.993  -0.390
  354    HB3  LEU 122           HB3      LEU 122  -7.737   6.328   0.067
  355    HG   LEU 122           HG       LEU 122  -5.352   8.002   0.993
  356   HD11  LEU 122          HD11      LEU 122  -7.536   8.789   1.876
  357   HD12  LEU 122          HD12      LEU 122  -7.872   7.153   2.485
  358   HD13  LEU 122          HD13      LEU 122  -6.522   8.104   3.152
  359   HD21  LEU 122          HD21      LEU 122  -6.231   5.198   1.771
  360   HD22  LEU 122          HD22      LEU 122  -4.632   5.760   1.191
  361   HD23  LEU 122          HD23      LEU 122  -5.183   6.200   2.796
  362    H    LEU 123           H        LEU 123  -3.837   5.484  -1.003
  363    HA   LEU 123           HA       LEU 123  -4.739   2.661  -1.375
  364    HB2  LEU 123           HB2      LEU 123  -2.178   4.043  -2.286
  365    HB3  LEU 123           HB3      LEU 123  -2.563   2.330  -2.500
  366    HG   LEU 123           HG       LEU 123  -3.982   4.719  -3.776
  367   HD11  LEU 123          HD11      LEU 123  -2.119   2.561  -4.858
  368   HD12  LEU 123          HD12      LEU 123  -2.975   3.752  -5.853
  369   HD13  LEU 123          HD13      LEU 123  -1.764   4.285  -4.662
  370   HD21  LEU 123          HD21      LEU 123  -5.611   2.869  -3.488
  371   HD22  LEU 123          HD22      LEU 123  -5.141   3.017  -5.185
  372   HD23  LEU 123          HD23      LEU 123  -4.444   1.719  -4.185
  373    H    GLY 124           H        GLY 124  -4.075   1.242  -0.008
  374    HA2  GLY 124           HA2      GLY 124  -3.091   1.873   2.582
  375    HA3  GLY 124           HA3      GLY 124  -3.223   0.251   1.923
  376    H    HIS 125           H        HIS 125  -1.243   1.058   3.712
  377    HA   HIS 125           HA       HIS 125   1.205   0.272   2.319
  378    HB2  HIS 125           HB2      HIS 125   1.365   2.603   1.986
  379    HB3  HIS 125           HB3      HIS 125   0.936   2.961   3.664
  380    HD1  HIS 125           HD1      HIS 125   3.148   4.277   4.173
  381    HD2  HIS 125           HD2      HIS 125   3.678   0.331   2.767
  382    HE1  HIS 125           HE1      HIS 125   5.634   3.660   4.636
  383    HE2  HIS 125           HE2      HIS 125   5.938   1.258   3.750
  384    H5'   DC   1           H5'       DC   1  -4.917  28.973   7.693
  385   H5''   DC   1          H5''       DC   1  -3.555  29.778   6.914
  386    H4'   DC   1           H4'       DC   1  -3.171  29.742   9.269
  387    H3'   DC   1           H3'       DC   1  -1.380  28.618   7.435
  388    H2'   DC   1           H2'       DC   1  -1.477  26.455   8.034
  389   H2''   DC   1          H2''       DC   1  -0.448  26.886   9.388
  390    H1'   DC   1           H1'       DC   1  -2.152  27.070  10.910
  391    H41   DC   1           H41       DC   1  -5.026  21.383   9.103
  392    H42   DC   1           H42       DC   1  -4.853  21.402  10.862
  393    H5    DC   1           H5        DC   1  -4.272  23.283   7.708
  394    H6    DC   1           H6        DC   1  -3.308  25.501   7.817
  395   HO5'   DC   1          H5T        DC   1  -4.235  27.866   5.754
  396    H5'   DG   2           H5'       DG   2   0.101  28.991  11.945
  397   H5''   DG   2          H5''       DG   2   1.676  29.782  11.930
  398    H4'   DG   2           H4'       DG   2   1.755  28.263  13.705
  399    H3'   DG   2           H3'       DG   2   3.577  27.926  11.589
  400    H2'   DG   2           H2'       DG   2   2.553  26.008  10.752
  401   H2''   DG   2          H2''       DG   2   3.652  25.217  11.894
  402    H1'   DG   2           H1'       DG   2   1.993  25.118  13.611
  403    H8    DG   2           H8        DG   2   0.665  25.161  10.019
  404    H1    DG   2           H1        DG   2  -1.191  20.094  13.546
  405    H21   DG   2           H21       DG   2   0.709  21.614  15.978
  406    H22   DG   2           H22       DG   2  -0.284  20.228  15.511
  407    H5'   DC   3           H5'       DC   3   4.089  25.486  15.596
  408   H5''   DC   3          H5''       DC   3   5.786  25.479  16.080
  409    H4'   DC   3           H4'       DC   3   4.745  23.439  16.787
  410    H3'   DC   3           H3'       DC   3   6.962  23.394  14.901
  411    H2'   DC   3           H2'       DC   3   6.154  21.847  13.482
  412   H2''   DC   3          H2''       DC   3   6.150  20.659  14.794
  413    H1'   DC   3           H1'       DC   3   3.942  20.919  15.279
  414    H41   DC   3           H41       DC   3   1.706  21.389   9.066
  415    H42   DC   3           H42       DC   3   1.097  19.906   9.817
  416    H5    DC   3           H5        DC   3   3.322  22.830  10.228
  417    H6    DC   3           H6        DC   3   4.449  23.168  12.417
  418    H5'   DA   4           H5'       DA   4   6.241  19.667  17.320
  419   H5''   DA   4          H5''       DA   4   7.692  19.007  18.079
  420    H4'   DA   4           H4'       DA   4   6.447  17.182  17.266
  421    H3'   DA   4           H3'       DA   4   9.044  17.671  16.123
  422    H2'   DA   4           H2'       DA   4   8.245  17.971  14.005
  423   H2''   DA   4          H2''       DA   4   8.282  16.204  13.926
  424    H1'   DA   4           H1'       DA   4   5.983  15.999  14.606
  425    H8    DA   4           H8        DA   4   6.871  19.315  12.927
  426    H61   DA   4           H61       DA   4   2.636  17.608   8.661
  427    H62   DA   4           H62       DA   4   3.677  18.926   9.174
  428    H2    DA   4           H2        DA   4   3.005  14.371  11.533
  429    H5'   DT   5           H5'       DT   5   7.234  13.494  15.424
  430   H5''   DT   5          H5''       DT   5   8.409  12.234  15.809
  431    H4'   DT   5           H4'       DT   5   7.187  11.507  13.924
  432    H3'   DT   5           H3'       DT   5  10.017  11.930  13.680
  433    H2'   DT   5           H2'       DT   5   9.851  13.495  12.021
  434   H2''   DT   5          H2''       DT   5   9.641  12.108  10.946
  435    H1'   DT   5           H1'       DT   5   7.271  12.168  11.082
  436    H3    DT   5           H3        DT   5   5.651  15.326   8.287
  437    H71   DT   5           H71       DT   5   8.290  18.602  10.728
  438    H72   DT   5           H72       DT   5   9.628  17.572  11.293
  439    H73   DT   5           H73       DT   5   9.473  17.983   9.571
  440    H6    DT   5           H6        DT   5   9.040  15.420  11.736
  441    H5'   DA   6           H5'       DA   6   7.395   9.133  11.042
  442   H5''   DA   6          H5''       DA   6   8.249   7.609  10.809
  443    H4'   DA   6           H4'       DA   6   6.761   7.917   9.001
  444    H3'   DA   6           H3'       DA   6   9.467   7.444   8.523
  445    H2'   DA   6           H2'       DA   6  10.039   9.592   7.978
  446   H2''   DA   6          H2''       DA   6   9.582   9.074   6.357
  447    H1'   DA   6           H1'       DA   6   7.440  10.008   6.476
  448    H8    DA   6           H8        DA   6  10.038  11.568   8.839
  449    H61   DA   6           H61       DA   6   8.369  16.891   5.999
  450    H62   DA   6           H62       DA   6   9.547  16.204   7.115
  451    H2    DA   6           H2        DA   6   5.839  13.723   4.476
  452    H5'   DT   7           H5'       DT   7   6.634   7.988   5.176
  453   H5''   DT   7          H5''       DT   7   6.704   6.817   3.856
  454    H4'   DT   7           H4'       DT   7   6.170   9.027   3.018
  455    H3'   DT   7           H3'       DT   7   8.444   7.558   2.054
  456    H2'   DT   7           H2'       DT   7   9.941   9.227   2.701
  457   H2''   DT   7          H2''       DT   7   9.447   9.975   1.165
  458    H1'   DT   7           H1'       DT   7   7.631  11.176   2.228
  459    H3    DT   7           H3        DT   7   9.873  14.939   3.316
  460    H71   DT   7           H71       DT   7  13.159  12.111   5.424
  461    H72   DT   7           H72       DT   7  12.078  12.409   6.791
  462    H73   DT   7           H73       DT   7  12.136  10.797   6.048
  463    H6    DT   7           H6        DT   7  10.368  10.319   4.585
  464    H5'   DA   8           H5'       DA   8   7.306  10.751  -1.355
  465   H5''   DA   8          H5''       DA   8   7.427   9.820  -2.849
  466    H4'   DA   8           H4'       DA   8   8.635  11.770  -3.272
  467    H3'   DA   8           H3'       DA   8  10.349   9.393  -2.880
  468    H2'   DA   8           H2'       DA   8  11.822  10.449  -1.551
  469   H2''   DA   8          H2''       DA   8  12.294  11.405  -2.980
  470    H1'   DA   8           H1'       DA   8  10.878  13.175  -2.472
  471    H8    DA   8           H8        DA   8  11.471  11.029   0.772
  472    H61   DA   8           H61       DA   8  13.441  16.609   2.934
  473    H62   DA   8           H62       DA   8  13.131  14.969   3.496
  474    H2    DA   8           H2        DA   8  12.287  17.123  -1.091
  475    H5'   DT   9           H5'       DT   9  10.848  12.798  -5.911
  476   H5''   DT   9          H5''       DT   9  11.437  12.123  -7.438
  477    H4'   DT   9           H4'       DT   9  12.058  14.429  -7.351
  478    H3'   DT   9           H3'       DT   9  13.996  12.391  -7.600
  479    H2'   DT   9           H2'       DT   9  15.074  12.707  -5.650
  480   H2''   DT   9          H2''       DT   9  15.870  14.064  -6.443
  481    H1'   DT   9           H1'       DT   9  14.417  15.670  -5.605
  482    H3    DT   9           H3        DT   9  15.385  16.360  -1.242
  483    H71   DT   9           H71       DT   9  14.539  11.016  -1.962
  484    H72   DT   9           H72       DT   9  15.905  11.551  -0.959
  485    H73   DT   9           H73       DT   9  14.252  11.766  -0.372
  486    H6    DT   9           H6        DT   9  14.185  12.422  -3.766
  487    H5'   DG  10           H5'       DG  10  15.037  16.798  -8.144
  488   H5''   DG  10          H5''       DG  10  15.956  17.082  -9.628
  489    H4'   DG  10           H4'       DG  10  16.688  18.679  -8.050
  490    H3'   DG  10           H3'       DG  10  18.525  16.837  -9.150
  491    H2'   DG  10           H2'       DG  10  18.846  15.683  -7.153
  492   H2''   DG  10          H2''       DG  10  20.089  16.923  -6.897
  493    H1'   DG  10           H1'       DG  10  18.587  18.334  -5.676
  494    H8    DG  10           H8        DG  10  17.846  14.582  -5.492
  495    H1    DG  10           H1        DG  10  19.151  17.393   0.157
  496    H21   DG  10           H21       DG  10  19.570  20.187  -1.799
  497    H22   DG  10           H22       DG  10  19.693  19.454  -0.194
  498    H5'   DC  11           H5'       DC  11  19.986  20.873  -7.052
  499   H5''   DC  11          H5''       DC  11  21.120  21.602  -8.190
  500    H4'   DC  11           H4'       DC  11  21.646  22.375  -6.002
  501    H3'   DC  11           H3'       DC  11  23.568  21.148  -7.604
  502    H2'   DC  11           H2'       DC  11  23.735  19.157  -6.465
  503   H2''   DC  11          H2''       DC  11  24.855  20.041  -5.427
  504    H1'   DC  11           H1'       DC  11  23.276  20.538  -3.818
  505    H41   DC  11           H41       DC  11  21.139  14.309  -3.163
  506    H42   DC  11           H42       DC  11  21.473  14.987  -1.565
  507    H5    DC  11           H5        DC  11  21.520  15.591  -5.186
  508    H6    DC  11           H6        DC  11  22.160  17.841  -6.024
  509    H5'   DG  12           H5'       DG  12  25.503  22.643  -3.690
  510   H5''   DG  12          H5''       DG  12  27.126  23.305  -3.907
  511    H4'   DG  12           H4'       DG  12  27.197  21.755  -2.098
  512    H3'   DG  12           H3'       DG  12  28.490  20.695  -4.609
  513   HO3'   DG  12          H3T        DG  12  29.694  22.213  -3.343
  514    H2'   DG  12           H2'       DG  12  28.462  18.578  -3.877
  515   H2''   DG  12          H2''       DG  12  29.036  19.033  -2.254
  516    H1'   DG  12           H1'       DG  12  26.933  19.201  -1.381
  517    H8    DG  12           H8        DG  12  26.207  18.017  -4.962
  518    H1    DG  12           H1        DG  12  24.555  13.958  -0.227
  519    H21   DG  12           H21       DG  12  25.982  16.391   1.753
  520    H22   DG  12           H22       DG  12  25.307  14.763   1.681
  521    H5'   DC  13           H5'       DC  13  24.570   7.560   5.215
  522   H5''   DC  13          H5''       DC  13  23.909   7.786   6.831
  523    H4'   DC  13           H4'       DC  13  25.408   9.590   6.323
  524    H3'   DC  13           H3'       DC  13  22.779   9.971   7.143
  525    H2'   DC  13           H2'       DC  13  21.952  10.762   5.125
  526   H2''   DC  13          H2''       DC  13  22.534  12.324   5.744
  527    H1'   DC  13           H1'       DC  13  24.611  12.146   4.660
  528    H41   DC  13           H41       DC  13  21.938  11.384  -1.341
  529    H42   DC  13           H42       DC  13  23.211  12.606  -1.436
  530    H5    DC  13           H5        DC  13  21.361  10.270   0.767
  531    H6    DC  13           H6        DC  13  22.006  10.073   3.107
  532   HO5'   DC  13          H5T        DC  13  22.283   7.107   5.278
  533    H5'   DG  14           H5'       DG  14  25.615  14.076   7.170
  534   H5''   DG  14          H5''       DG  14  25.346  14.587   8.834
  535    H4'   DG  14           H4'       DG  14  25.744  16.552   7.688
  536    H3'   DG  14           H3'       DG  14  23.274  16.282   8.924
  537    H2'   DG  14           H2'       DG  14  22.025  15.869   6.993
  538   H2''   DG  14          H2''       DG  14  21.908  17.608   6.952
  539    H1'   DG  14           H1'       DG  14  23.616  17.869   5.406
  540    H8    DG  14           H8        DG  14  22.032  14.396   5.448
  541    H1    DG  14           H1        DG  14  22.418  17.154  -0.361
  542    H21   DG  14           H21       DG  14  23.959  19.677   1.384
  543    H22   DG  14           H22       DG  14  23.341  19.098  -0.166
  544    H5'   DC  15           H5'       DC  15  23.935  20.231   6.722
  545   H5''   DC  15          H5''       DC  15  23.278  21.691   7.474
  546    H4'   DC  15           H4'       DC  15  22.828  21.667   5.093
  547    H3'   DC  15           H3'       DC  15  20.486  21.467   6.932
  548    H2'   DC  15           H2'       DC  15  19.172  20.473   5.415
  549   H2''   DC  15          H2''       DC  15  19.523  21.712   4.192
  550    H1'   DC  15           H1'       DC  15  21.247  20.580   3.247
  551    H41   DC  15           H41       DC  15  18.376  14.622   3.221
  552    H42   DC  15           H42       DC  15  18.457  15.268   1.574
  553    H5    DC  15           H5        DC  15  19.079  15.993   5.151
  554    H6    DC  15           H6        DC  15  20.128  18.155   5.757
  555    H5'   DA  16           H5'       DA  16  20.625  23.787   3.168
  556   H5''   DA  16          H5''       DA  16  20.070  25.454   3.289
  557    H4'   DA  16           H4'       DA  16  19.485  24.684   1.150
  558    H3'   DA  16           H3'       DA  16  17.446  25.506   2.962
  559    H2'   DA  16           H2'       DA  16  16.576  23.378   3.198
  560   H2''   DA  16          H2''       DA  16  15.609  23.847   1.799
  561    H1'   DA  16           H1'       DA  16  17.157  22.863   0.242
  562    H8    DA  16           H8        DA  16  17.245  21.354   3.742
  563    H61   DA  16           H61       DA  16  15.729  16.017   0.819
  564    H62   DA  16           H62       DA  16  16.272  16.663   2.359
  565    H2    DA  16           H2        DA  16  15.508  19.219  -2.073
  566    H5'   DT  17           H5'       DT  17  15.912  24.837  -1.326
  567   H5''   DT  17          H5''       DT  17  14.826  26.125  -1.865
  568    H4'   DT  17           H4'       DT  17  13.929  24.031  -2.575
  569    H3'   DT  17           H3'       DT  17  12.413  25.682  -0.741
  570    H2'   DT  17           H2'       DT  17  12.139  24.022   0.806
  571   H2''   DT  17          H2''       DT  17  10.901  23.375  -0.285
  572    H1'   DT  17           H1'       DT  17  12.455  21.979  -1.441
  573    H3    DT  17           H3        DT  17  12.915  18.207   1.004
  574    H71   DT  17           H71       DT  17  14.635  20.919   4.593
  575    H72   DT  17           H72       DT  17  13.798  22.465   4.277
  576    H73   DT  17           H73       DT  17  12.897  21.069   4.903
  577    H6    DT  17           H6        DT  17  13.403  22.868   2.072
  578    H5'   DA  18           H5'       DA  18  10.350  22.438  -3.011
  579   H5''   DA  18          H5''       DA  18   8.975  23.044  -3.930
  580    H4'   DA  18           H4'       DA  18   8.332  20.923  -3.259
  581    H3'   DA  18           H3'       DA  18   6.917  23.072  -1.867
  582    H2'   DA  18           H2'       DA  18   7.425  22.281   0.190
  583   H2''   DA  18          H2''       DA  18   6.138  21.099  -0.127
  584    H1'   DA  18           H1'       DA  18   7.656  19.475  -0.898
  585    H8    DA  18           H8        DA  18   9.020  21.915   1.739
  586    H61   DA  18           H61       DA  18  10.945  16.543   4.436
  587    H62   DA  18           H62       DA  18  10.834  18.274   4.764
  588    H2    DA  18           H2        DA  18   9.523  15.624   0.537
  589    H5'   DT  19           H5'       DT  19   5.665  18.757  -2.362
  590   H5''   DT  19          H5''       DT  19   4.097  18.739  -3.179
  591    H4'   DT  19           H4'       DT  19   3.872  16.931  -1.704
  592    H3'   DT  19           H3'       DT  19   2.313  19.233  -1.009
  593    H2'   DT  19           H2'       DT  19   3.645  19.814   0.775
  594   H2''   DT  19          H2''       DT  19   2.509  18.721   1.620
  595    H1'   DT  19           H1'       DT  19   3.914  16.788   1.196
  596    H3    DT  19           H3        DT  19   6.944  16.417   4.454
  597    H71   DT  19           H71       DT  19   7.742  21.151   4.227
  598    H72   DT  19           H72       DT  19   6.433  21.696   3.158
  599    H73   DT  19           H73       DT  19   6.099  21.231   4.843
  600    H6    DT  19           H6        DT  19   5.367  20.109   1.813
  601    H5'   DA  20           H5'       DA  20  -1.365  15.383  -0.005
  602   H5''   DA  20          H5''       DA  20  -0.046  16.142   0.869
  603    H4'   DA  20           H4'       DA  20   0.054  13.202   0.124
  604    H3'   DA  20           H3'       DA  20  -1.896  14.348   1.726
  605    H2'   DA  20           H2'       DA  20  -0.463  15.422   3.176
  606   H2''   DA  20          H2''       DA  20  -0.595  13.902   4.080
  607    H1'   DA  20           H1'       DA  20   1.421  13.039   3.242
  608    H8    DA  20           H8        DA  20   1.670  16.804   2.344
  609    H61   DA  20           H61       DA  20   5.263  17.318   7.383
  610    H62   DA  20           H62       DA  20   4.507  18.209   6.067
  611    H2    DA  20           H2        DA  20   3.903  13.194   7.185
  612    H5'   DT  21           H5'       DT  21  -0.204  11.019   4.211
  613   H5''   DT  21          H5''       DT  21  -1.495   9.813   4.225
  614    H4'   DT  21           H4'       DT  21  -0.560   9.575   6.323
  615    H3'   DT  21           H3'       DT  21  -3.164  10.504   6.266
  616    H2'   DT  21           H2'       DT  21  -2.754  12.716   6.788
  617   H2''   DT  21          H2''       DT  21  -2.827  12.102   8.457
  618    H1'   DT  21           H1'       DT  21  -0.552  11.863   8.671
  619    H3    DT  21           H3        DT  21   1.963  15.610   8.974
  620    H71   DT  21           H71       DT  21  -1.749  16.374   5.034
  621    H72   DT  21           H72       DT  21  -1.316  17.692   6.139
  622    H73   DT  21           H73       DT  21  -0.158  17.174   4.911
  623    H6    DT  21           H6        DT  21  -1.613  14.283   5.990
  624    H5'   DG  22           H5'       DG  22  -1.208   9.627  10.347
  625   H5''   DG  22          H5''       DG  22  -2.317   8.812  11.473
  626    H4'   DG  22           H4'       DG  22  -1.054  10.387  12.724
  627    H3'   DG  22           H3'       DG  22  -3.906  10.720  12.550
  628    H2'   DG  22           H2'       DG  22  -3.730  12.777  11.484
  629   H2''   DG  22          H2''       DG  22  -3.560  13.378  13.156
  630    H1'   DG  22           H1'       DG  22  -1.163  13.195  13.068
  631    H8    DG  22           H8        DG  22  -2.902  14.018   9.748
  632    H1    DG  22           H1        DG  22   1.186  18.476  11.987
  633    H21   DG  22           H21       DG  22   1.532  16.229  14.570
  634    H22   DG  22           H22       DG  22   1.933  17.822  13.925
  635    H5'   DC  23           H5'       DC  23  -1.131  12.379  16.016
  636   H5''   DC  23          H5''       DC  23  -1.921  11.860  17.503
  637    H4'   DC  23           H4'       DC  23  -0.570  13.721  18.034
  638    H3'   DC  23           H3'       DC  23  -3.311  13.755  18.555
  639    H2'   DC  23           H2'       DC  23  -3.938  15.301  16.972
  640   H2''   DC  23          H2''       DC  23  -3.461  16.492  18.162
  641    H1'   DC  23           H1'       DC  23  -1.351  16.834  17.263
  642    H41   DC  23           H41       DC  23  -3.748  17.780  11.162
  643    H42   DC  23           H42       DC  23  -2.709  19.141  11.606
  644    H5    DC  23           H5        DC  23  -4.130  15.919  12.695
  645    H6    DC  23           H6        DC  23  -3.494  15.024  14.926
  646    H5'   DG  24           H5'       DG  24  -1.406  17.559  20.327
  647   H5''   DG  24          H5''       DG  24  -2.112  18.023  21.881
  648    H4'   DG  24           H4'       DG  24  -2.103  19.952  20.496
  649    H3'   DG  24           H3'       DG  24  -4.872  18.757  20.711
  650   HO3'   DG  24          H3T        DG  24  -4.103  19.935  22.552
  651    H2'   DG  24           H2'       DG  24  -5.640  19.998  19.006
  652   H2''   DG  24          H2''       DG  24  -4.808  21.467  19.572
  653    H1'   DG  24           H1'       DG  24  -2.948  21.091  18.305
  654    H8    DG  24           H8        DG  24  -5.183  18.157  17.232
  655    H1    DG  24           H1        DG  24  -3.946  22.647  12.753
  656    H21   DG  24           H21       DG  24  -2.186  24.093  15.349
  657    H22   DG  24           H22       DG  24  -2.755  24.255  13.689
  Start of MODEL   19
    1    H    ALA  79           H1       ALA  79  -1.797   6.246   9.068
    2    HA   ALA  79           HA       ALA  79   1.105   5.758   9.442
    3    HB1  ALA  79           HB1      ALA  79  -1.088   4.302   7.894
    4    HB2  ALA  79           HB2      ALA  79   0.651   3.898   7.813
    5    HB3  ALA  79           HB3      ALA  79  -0.243   3.697   9.334
    6    H    ARG  80           H        ARG  80   2.397   5.950   7.587
    7    HA   ARG  80           HA       ARG  80   1.925   8.223   5.869
    8    HB2  ARG  80           HB2      ARG  80   4.066   6.073   5.889
    9    HB3  ARG  80           HB3      ARG  80   4.112   7.470   4.814
   10    HG2  ARG  80           HG2      ARG  80   3.793   7.839   7.802
   11    HG3  ARG  80           HG3      ARG  80   5.393   7.608   7.091
   12    HD2  ARG  80           HD2      ARG  80   5.302   9.651   5.921
   13    HD3  ARG  80           HD3      ARG  80   3.549   9.727   5.994
   14    HE   ARG  80           HE       ARG  80   5.467  10.413   8.165
   15   HH11  ARG  80          HH12      ARG  80   2.080  10.409   7.149
   16   HH12  ARG  80          HH11      ARG  80   1.659  11.497   8.431
   17   HH21  ARG  80          HH22      ARG  80   4.716  11.986   9.610
   18   HH22  ARG  80          HH21      ARG  80   2.990  12.234   9.769
   19    H    LYS  81           H        LYS  81  -0.263   7.157   5.282
   20    HA   LYS  81           HA       LYS  81  -0.698   5.222   3.322
   21    HB2  LYS  81           HB2      LYS  81  -2.129   7.804   4.090
   22    HB3  LYS  81           HB3      LYS  81  -2.773   6.702   2.889
   23    HG2  LYS  81           HG2      LYS  81  -3.347   5.084   4.404
   24    HG3  LYS  81           HG3      LYS  81  -2.067   5.512   5.566
   25    HD2  LYS  81           HD2      LYS  81  -3.254   7.478   6.287
   26    HD3  LYS  81           HD3      LYS  81  -4.506   7.260   5.045
   27    HE2  LYS  81           HE2      LYS  81  -5.315   5.237   6.060
   28    HE3  LYS  81           HE3      LYS  81  -3.920   5.128   7.144
   29    HZ1  LYS  81           HZ1      LYS  81  -4.686   7.083   8.320
   30    HZ2  LYS  81           HZ2      LYS  81  -5.928   7.324   7.279
   31    HZ3  LYS  81           HZ3      LYS  81  -5.928   6.014   8.264
   32    H    VAL  82           H        VAL  82  -0.488   5.109   1.350
   33    HA   VAL  82           HA       VAL  82   0.753   7.093  -0.400
   34    HB   VAL  82           HB       VAL  82  -0.538   4.398  -0.985
   35   HG11  VAL  82          HG11      VAL  82  -0.609   5.560  -3.042
   36   HG12  VAL  82          HG12      VAL  82   1.016   6.265  -2.818
   37   HG13  VAL  82          HG13      VAL  82   0.813   4.527  -3.129
   38   HG21  VAL  82          HG21      VAL  82   1.460   4.288   0.463
   39   HG22  VAL  82          HG22      VAL  82   1.700   3.525  -1.116
   40   HG23  VAL  82          HG23      VAL  82   2.398   5.127  -0.811
   41    H    LYS  83           H        LYS  83  -0.213   8.533  -1.713
   42    HA   LYS  83           HA       LYS  83  -3.081   8.182  -2.404
   43    HB2  LYS  83           HB2      LYS  83  -1.417  10.638  -1.933
   44    HB3  LYS  83           HB3      LYS  83  -2.556  10.666  -3.303
   45    HG2  LYS  83           HG2      LYS  83  -4.424  10.094  -1.899
   46    HG3  LYS  83           HG3      LYS  83  -3.379   9.966  -0.465
   47    HD2  LYS  83           HD2      LYS  83  -2.871  12.317  -0.517
   48    HD3  LYS  83           HD3      LYS  83  -3.506  12.490  -2.159
   49    HE2  LYS  83           HE2      LYS  83  -5.160  13.461  -0.798
   50    HE3  LYS  83           HE3      LYS  83  -5.798  11.906  -1.343
   51    HZ1  LYS  83           HZ1      LYS  83  -6.224  12.175   1.025
   52    HZ2  LYS  83           HZ2      LYS  83  -5.065  11.011   0.901
   53    HZ3  LYS  83           HZ3      LYS  83  -4.662  12.510   1.359
   54    H    GLN  84           H        GLN  84  -3.479   7.642  -4.420
   55    HA   GLN  84           HA       GLN  84  -1.302   7.639  -6.416
   56    HB2  GLN  84           HB2      GLN  84  -2.272   5.650  -6.900
   57    HB3  GLN  84           HB3      GLN  84  -3.771   6.031  -6.042
   58    HG2  GLN  84           HG2      GLN  84  -4.553   7.294  -7.964
   59    HG3  GLN  84           HG3      GLN  84  -3.039   6.938  -8.849
   60   HE21  GLN  84          HE21      GLN  84  -2.564   4.479  -9.152
   61   HE22  GLN  84          HE22      GLN  84  -3.974   3.468  -9.412
   62    H    TYR  85           H        TYR  85  -1.544   8.973  -8.153
   63    HA   TYR  85           HA       TYR  85  -3.859  10.867  -8.223
   64    HB2  TYR  85           HB2      TYR  85  -0.961  11.621  -8.766
   65    HB3  TYR  85           HB3      TYR  85  -2.361  12.682  -8.839
   66    HD1  TYR  85           HD1      TYR  85  -3.493  13.452  -6.832
   67    HD2  TYR  85           HD2      TYR  85   0.113  11.112  -6.624
   68    HE1  TYR  85           HE1      TYR  85  -3.117  14.264  -4.499
   69    HE2  TYR  85           HE2      TYR  85   0.502  11.897  -4.305
   70    HH   TYR  85           HH       TYR  85  -0.227  13.334  -2.617
   71    H    LYS  86           H        LYS  86  -4.634  11.230 -10.321
   72    HA   LYS  86           HA       LYS  86  -3.165  10.031 -12.641
   73    HB2  LYS  86           HB2      LYS  86  -4.836   8.415 -11.947
   74    HB3  LYS  86           HB3      LYS  86  -6.090   9.658 -11.855
   75    HG2  LYS  86           HG2      LYS  86  -6.122   9.955 -14.245
   76    HG3  LYS  86           HG3      LYS  86  -4.654   8.991 -14.460
   77    HD2  LYS  86           HD2      LYS  86  -5.878   6.981 -13.569
   78    HD3  LYS  86           HD3      LYS  86  -7.352   7.971 -13.451
   79    HE2  LYS  86           HE2      LYS  86  -7.204   8.417 -15.920
   80    HE3  LYS  86           HE3      LYS  86  -5.761   7.389 -16.000
   81    HZ1  LYS  86           HZ1      LYS  86  -7.766   6.157 -16.624
   82    HZ2  LYS  86           HZ2      LYS  86  -7.152   5.510 -15.253
   83    HZ3  LYS  86           HZ3      LYS  86  -8.480   6.465 -15.193
   84    H    ASN  87           H        ASN  87  -3.206  11.246 -14.456
   85    HA   ASN  87           HA       ASN  87  -4.392  13.967 -14.174
   86    HB2  ASN  87           HB2      ASN  87  -2.021  13.705 -14.313
   87    HB3  ASN  87           HB3      ASN  87  -2.140  12.932 -15.888
   88   HD21  ASN  87          HD21      ASN  87  -0.694  15.364 -15.188
   89   HD22  ASN  87          HD22      ASN  87  -1.476  16.674 -16.076
   90    HA   PRO  88           HA       PRO  88  -7.503  12.704 -17.275
   91    HB2  PRO  88           HB2      PRO  88  -8.077  15.655 -16.950
   92    HB3  PRO  88           HB3      PRO  88  -9.232  14.290 -17.064
   93    HG2  PRO  88           HG2      PRO  88  -8.650  15.389 -14.654
   94    HG3  PRO  88           HG3      PRO  88  -8.739  13.605 -14.820
   95    HD2  PRO  88           HD2      PRO  88  -6.282  15.369 -14.786
   96    HD3  PRO  88           HD3      PRO  88  -6.587  13.816 -13.949
   97    H    HIS  89           H        HIS  89  -5.137  15.319 -17.564
   98    HA   HIS  89           HA       HIS  89  -5.782  15.879 -20.388
   99    HB2  HIS  89           HB2      HIS  89  -3.592  17.021 -18.604
  100    HB3  HIS  89           HB3      HIS  89  -4.134  17.658 -20.154
  101    HD1  HIS  89           HD1      HIS  89  -6.728  18.701 -20.155
  102    HD2  HIS  89           HD2      HIS  89  -4.910  17.790 -16.445
  103    HE1  HIS  89           HE1      HIS  89  -8.104  19.921 -18.356
  104    HE2  HIS  89           HE2      HIS  89  -7.002  19.370 -16.102
  105    H    THR  90           H        THR  90  -3.478  13.872 -18.694
  106    HA   THR  90           HA       THR  90  -1.917  13.452 -21.227
  107    HB   THR  90           HB       THR  90   0.051  13.145 -19.858
  108    HG1  THR  90           HG1      THR  90  -0.097  13.443 -17.623
  109   HG21  THR  90          HG21      THR  90  -1.398  15.607 -18.804
  110   HG22  THR  90          HG22      THR  90   0.361  15.341 -18.888
  111   HG23  THR  90          HG23      THR  90  -0.577  15.528 -20.387
  112    H    GLY  91           H        GLY  91  -3.677  11.790 -18.695
  113    HA2  GLY  91           HA2      GLY  91  -4.170   9.555 -18.440
  114    HA3  GLY  91           HA3      GLY  91  -3.278   9.173 -19.921
  115    H    GLU  92           H        GLU  92  -1.453  10.980 -17.556
  116    HA   GLU  92           HA       GLU  92   0.301   8.759 -16.890
  117    HB2  GLU  92           HB2      GLU  92   0.159  11.681 -16.071
  118    HB3  GLU  92           HB3      GLU  92   1.402  10.541 -15.521
  119    HG2  GLU  92           HG2      GLU  92   2.281  10.279 -17.718
  120    HG3  GLU  92           HG3      GLU  92   1.014  11.286 -18.430
  121    H    VAL  93           H        VAL  93   0.431   7.938 -14.894
  122    HA   VAL  93           HA       VAL  93  -1.298   8.847 -12.658
  123    HB   VAL  93           HB       VAL  93  -0.559   6.011 -13.311
  124   HG11  VAL  93          HG11      VAL  93  -2.400   5.404 -11.687
  125   HG12  VAL  93          HG12      VAL  93  -1.082   6.239 -10.891
  126   HG13  VAL  93          HG13      VAL  93  -2.578   7.113 -11.280
  127   HG21  VAL  93          HG21      VAL  93  -2.125   6.783 -15.035
  128   HG22  VAL  93          HG22      VAL  93  -2.986   5.694 -13.945
  129   HG23  VAL  93          HG23      VAL  93  -3.192   7.458 -13.793
  130    H    ILE  94           H        ILE  94  -0.431   8.424 -10.629
  131    HA   ILE  94           HA       ILE  94   2.383   7.655 -10.245
  132    HB   ILE  94           HB       ILE  94   1.852   9.919  -8.543
  133   HG12  ILE  94          HG12      ILE  94   1.856  10.794 -11.455
  134   HG13  ILE  94          HG13      ILE  94   0.444  10.825 -10.385
  135   HG21  ILE  94          HG21      ILE  94   4.041  10.592  -9.141
  136   HG22  ILE  94          HG22      ILE  94   4.058   8.844  -9.132
  137   HG23  ILE  94          HG23      ILE  94   3.976   9.713 -10.696
  138   HD11  ILE  94          HD11      ILE  94   3.003  12.404 -10.025
  139   HD12  ILE  94          HD12      ILE  94   1.373  13.020 -10.358
  140   HD13  ILE  94          HD13      ILE  94   1.732  12.262  -8.787
  141    H    GLU  95           H        GLU  95   2.863   7.567  -7.944
  142    HA   GLU  95           HA       GLU  95   0.692   7.321  -5.968
  143    HB2  GLU  95           HB2      GLU  95   2.514   5.107  -6.914
  144    HB3  GLU  95           HB3      GLU  95   1.918   5.131  -5.235
  145    HG2  GLU  95           HG2      GLU  95  -0.371   5.044  -5.949
  146    HG3  GLU  95           HG3      GLU  95   0.090   5.195  -7.652
  147    H    THR  96           H        THR  96   1.396   8.519  -4.278
  148    HA   THR  96           HA       THR  96   4.219   8.303  -3.371
  149    HB   THR  96           HB       THR  96   4.863  10.413  -3.698
  150    HG1  THR  96           HG1      THR  96   3.545  12.209  -3.433
  151   HG21  THR  96          HG21      THR  96   3.978  11.633  -5.634
  152   HG22  THR  96          HG22      THR  96   4.087   9.922  -6.039
  153   HG23  THR  96          HG23      THR  96   2.506  10.639  -5.623
  154    H    LYS  97           H        LYS  97   4.510   8.856  -1.131
  155    HA   LYS  97           HA       LYS  97   1.995   8.848   0.491
  156    HB2  LYS  97           HB2      LYS  97   4.869   8.685   1.361
  157    HB3  LYS  97           HB3      LYS  97   3.470   8.321   2.360
  158    HG2  LYS  97           HG2      LYS  97   2.970   6.321   1.100
  159    HG3  LYS  97           HG3      LYS  97   4.178   6.710  -0.127
  160    HD2  LYS  97           HD2      LYS  97   5.929   6.613   1.769
  161    HD3  LYS  97           HD3      LYS  97   4.665   5.867   2.739
  162    HE2  LYS  97           HE2      LYS  97   5.987   4.111   1.820
  163    HE3  LYS  97           HE3      LYS  97   4.453   4.085   0.946
  164    HZ1  LYS  97           HZ1      LYS  97   6.956   5.395  -0.073
  165    HZ2  LYS  97           HZ2      LYS  97   6.445   3.905  -0.530
  166    HZ3  LYS  97           HZ3      LYS  97   5.571   5.241  -0.904
  167    H    GLY  98           H        GLY  98   3.455  11.197  -1.021
  168    HA2  GLY  98           HA2      GLY  98   2.825  13.531  -0.312
  169    HA3  GLY  98           HA3      GLY  98   3.697  13.177   1.190
  170    H    GLY  99           H        GLY  99   4.831  15.099   0.564
  171    HA2  GLY  99           HA2      GLY  99   6.837  16.027   0.224
  172    HA3  GLY  99           HA3      GLY  99   7.436  14.456  -0.280
  173    H    ASN 100           H        ASN 100   8.509  16.654  -1.223
  174    HA   ASN 100           HA       ASN 100   7.870  17.569  -3.827
  175    HB2  ASN 100           HB2      ASN 100   9.549  18.662  -2.530
  176    HB3  ASN 100           HB3      ASN 100  10.331  17.156  -2.130
  177   HD21  ASN 100          HD22      ASN 100  12.162  18.597  -2.608
  178   HD22  ASN 100          HD21      ASN 100  12.859  18.253  -4.177
  179    H    HIS 101           H        HIS 101   7.162  16.100  -5.301
  180    HA   HIS 101           HA       HIS 101   9.040  13.959  -6.166
  181    HB2  HIS 101           HB2      HIS 101   7.107  13.065  -4.798
  182    HB3  HIS 101           HB3      HIS 101   6.010  13.652  -6.040
  183    HD1  HIS 101           HD1      HIS 101   8.905  11.036  -5.612
  184    HD2  HIS 101           HD2      HIS 101   5.695  12.091  -8.175
  185    HE1  HIS 101           HE1      HIS 101   8.681   9.145  -7.308
  186    HE2  HIS 101           HE2      HIS 101   6.754   9.777  -8.886
  187    H    LYS 102           H        LYS 102   9.464  13.929  -8.333
  188    HA   LYS 102           HA       LYS 102   9.284  16.253  -9.766
  189    HB2  LYS 102           HB2      LYS 102  10.900  14.611 -10.096
  190    HB3  LYS 102           HB3      LYS 102   9.747  13.528 -10.904
  191    HG2  LYS 102           HG2      LYS 102   9.632  14.874 -12.823
  192    HG3  LYS 102           HG3      LYS 102  10.052  16.355 -11.962
  193    HD2  LYS 102           HD2      LYS 102  11.835  15.492 -13.534
  194    HD3  LYS 102           HD3      LYS 102  12.354  15.815 -11.867
  195    HE2  LYS 102           HE2      LYS 102  12.073  13.447 -11.294
  196    HE3  LYS 102           HE3      LYS 102  11.618  13.079 -12.971
  197    HZ1  LYS 102           HZ1      LYS 102  14.244  14.163 -12.053
  198    HZ2  LYS 102           HZ2      LYS 102  13.993  12.637 -12.602
  199    HZ3  LYS 102           HZ3      LYS 102  13.865  13.898 -13.641
  200    H    THR 103           H        THR 103   7.386  13.443 -11.039
  201    HA   THR 103           HA       THR 103   5.940  14.980 -12.898
  202    HB   THR 103           HB       THR 103   4.929  12.456 -11.557
  203    HG1  THR 103           HG1      THR 103   6.026  11.445 -13.288
  204   HG21  THR 103          HG21      THR 103   4.290  13.921 -14.133
  205   HG22  THR 103          HG22      THR 103   3.913  12.185 -13.929
  206   HG23  THR 103          HG23      THR 103   3.176  13.386 -12.862
  207    H    LEU 104           H        LEU 104   5.049  14.221  -9.542
  208    HA   LEU 104           HA       LEU 104   2.432  15.333  -9.539
  209    HB2  LEU 104           HB2      LEU 104   3.421  13.803  -7.819
  210    HB3  LEU 104           HB3      LEU 104   4.490  15.100  -7.294
  211    HG   LEU 104           HG       LEU 104   2.585  16.412  -6.499
  212   HD11  LEU 104          HD11      LEU 104   0.901  14.012  -7.371
  213   HD12  LEU 104          HD12      LEU 104   0.331  15.364  -6.373
  214   HD13  LEU 104          HD13      LEU 104   0.815  15.654  -8.050
  215   HD21  LEU 104          HD21      LEU 104   2.502  13.537  -5.507
  216   HD22  LEU 104          HD22      LEU 104   3.675  14.783  -4.992
  217   HD23  LEU 104          HD23      LEU 104   1.959  14.970  -4.624
  218    H    LYS 105           H        LYS 105   5.631  16.880  -9.060
  219    HA   LYS 105           HA       LYS 105   4.535  19.488  -8.402
  220    HB2  LYS 105           HB2      LYS 105   6.802  18.818  -7.700
  221    HB3  LYS 105           HB3      LYS 105   7.293  18.621  -9.379
  222    HG2  LYS 105           HG2      LYS 105   8.194  20.685  -8.512
  223    HG3  LYS 105           HG3      LYS 105   7.064  21.005  -9.808
  224    HD2  LYS 105           HD2      LYS 105   6.676  22.665  -8.166
  225    HD3  LYS 105           HD3      LYS 105   5.304  21.565  -8.042
  226    HE2  LYS 105           HE2      LYS 105   6.487  20.425  -6.093
  227    HE3  LYS 105           HE3      LYS 105   7.796  21.600  -6.270
  228    HZ1  LYS 105           HZ1      LYS 105   6.328  22.395  -4.576
  229    HZ2  LYS 105           HZ2      LYS 105   6.020  23.368  -5.859
  230    HZ3  LYS 105           HZ3      LYS 105   4.988  22.133  -5.427
  231    H    GLU 106           H        GLU 106   5.357  17.901 -11.509
  232    HA   GLU 106           HA       GLU 106   5.227  20.348 -13.015
  233    HB2  GLU 106           HB2      GLU 106   4.530  17.592 -14.065
  234    HB3  GLU 106           HB3      GLU 106   5.086  19.018 -14.981
  235    HG2  GLU 106           HG2      GLU 106   7.221  18.808 -13.521
  236    HG3  GLU 106           HG3      GLU 106   6.543  17.221 -13.089
  237    H    TRP 107           H        TRP 107   2.914  17.796 -12.258
  238    HA   TRP 107           HA       TRP 107   0.682  18.937 -13.628
  239    HB2  TRP 107           HB2      TRP 107   0.650  17.298 -11.078
  240    HB3  TRP 107           HB3      TRP 107  -0.736  17.637 -12.110
  241    HD1  TRP 107           HD1      TRP 107   1.986  16.735 -14.430
  242    HE1  TRP 107           HE1      TRP 107   1.779  14.263 -15.126
  243    HE3  TRP 107           HE3      TRP 107  -1.492  15.176 -11.001
  244    HZ2  TRP 107           HZ2      TRP 107   0.739  11.865 -13.956
  245    HZ3  TRP 107           HZ3      TRP 107  -2.204  12.804 -10.979
  246    HH2  TRP 107           HH2      TRP 107  -1.031  11.118 -12.400
  247    H    LYS 108           H        LYS 108   1.844  19.630 -10.315
  248    HA   LYS 108           HA       LYS 108  -0.279  21.488  -9.647
  249    HB2  LYS 108           HB2      LYS 108   2.594  21.256  -8.636
  250    HB3  LYS 108           HB3      LYS 108   1.411  22.408  -8.009
  251    HG2  LYS 108           HG2      LYS 108  -0.117  20.487  -7.463
  252    HG3  LYS 108           HG3      LYS 108   1.178  19.374  -7.924
  253    HD2  LYS 108           HD2      LYS 108   2.678  20.547  -6.252
  254    HD3  LYS 108           HD3      LYS 108   1.274  21.498  -5.735
  255    HE2  LYS 108           HE2      LYS 108   0.074  19.269  -5.264
  256    HE3  LYS 108           HE3      LYS 108   1.590  18.457  -5.654
  257    HZ1  LYS 108           HZ1      LYS 108   1.068  20.245  -3.353
  258    HZ2  LYS 108           HZ2      LYS 108   1.644  18.698  -3.361
  259    HZ3  LYS 108           HZ3      LYS 108   2.597  19.975  -3.861
  260    H    ALA 109           H        ALA 109   2.813  21.877 -11.431
  261    HA   ALA 109           HA       ALA 109   2.724  24.728 -11.526
  262    HB1  ALA 109           HB1      ALA 109   4.747  23.275 -11.974
  263    HB2  ALA 109           HB2      ALA 109   4.000  22.783 -13.511
  264    HB3  ALA 109           HB3      ALA 109   4.427  24.475 -13.260
  265    H    LYS 110           H        LYS 110   1.827  22.180 -13.820
  266    HA   LYS 110           HA       LYS 110   1.046  23.844 -15.837
  267    HB2  LYS 110           HB2      LYS 110   0.793  20.901 -15.316
  268    HB3  LYS 110           HB3      LYS 110   0.127  21.588 -16.809
  269    HG2  LYS 110           HG2      LYS 110   2.346  22.531 -17.379
  270    HG3  LYS 110           HG3      LYS 110   3.024  21.866 -15.889
  271    HD2  LYS 110           HD2      LYS 110   3.669  20.338 -17.579
  272    HD3  LYS 110           HD3      LYS 110   2.346  19.563 -16.714
  273    HE2  LYS 110           HE2      LYS 110   1.849  19.160 -18.983
  274    HE3  LYS 110           HE3      LYS 110   0.783  20.499 -18.543
  275    HZ1  LYS 110           HZ1      LYS 110   1.907  20.888 -20.685
  276    HZ2  LYS 110           HZ2      LYS 110   2.375  22.030 -19.622
  277    HZ3  LYS 110           HZ3      LYS 110   3.379  20.793 -19.989
  278    H    TRP 111           H        TRP 111  -0.961  22.246 -13.412
  279    HA   TRP 111           HA       TRP 111  -3.403  23.639 -14.486
  280    HB2  TRP 111           HB2      TRP 111  -3.269  20.804 -13.416
  281    HB3  TRP 111           HB3      TRP 111  -4.715  21.645 -13.957
  282    HD1  TRP 111           HD1      TRP 111  -4.897  22.172 -16.626
  283    HE1  TRP 111           HE1      TRP 111  -3.928  20.955 -18.672
  284    HE3  TRP 111           HE3      TRP 111  -1.347  19.388 -14.276
  285    HZ2  TRP 111           HZ2      TRP 111  -1.802  19.062 -19.220
  286    HZ3  TRP 111           HZ3      TRP 111   0.245  17.976 -15.597
  287    HH2  TRP 111           HH2      TRP 111  -0.009  17.756 -18.036
  288    H    GLY 112           H        GLY 112  -2.082  22.082 -11.502
  289    HA2  GLY 112           HA2      GLY 112  -1.936  23.988  -9.759
  290    HA3  GLY 112           HA3      GLY 112  -3.684  24.040  -9.863
  291    HA   PRO 113           HA       PRO 113  -2.114  20.741  -6.734
  292    HB2  PRO 113           HB2      PRO 113  -2.480  22.137  -4.354
  293    HB3  PRO 113           HB3      PRO 113  -0.937  21.948  -5.224
  294    HG2  PRO 113           HG2      PRO 113  -2.858  24.265  -5.302
  295    HG3  PRO 113           HG3      PRO 113  -1.062  24.291  -5.214
  296    HD2  PRO 113           HD2      PRO 113  -2.398  24.722  -7.542
  297    HD3  PRO 113           HD3      PRO 113  -0.851  23.829  -7.500
  298    H    GLU 114           H        GLU 114  -4.829  23.096  -6.601
  299    HA   GLU 114           HA       GLU 114  -6.643  21.556  -5.045
  300    HB2  GLU 114           HB2      GLU 114  -7.392  23.286  -7.408
  301    HB3  GLU 114           HB3      GLU 114  -8.324  22.924  -5.930
  302    HG2  GLU 114           HG2      GLU 114  -6.516  24.199  -4.653
  303    HG3  GLU 114           HG3      GLU 114  -5.860  24.660  -6.234
  304    H    ALA 115           H        ALA 115  -6.084  21.737  -8.479
  305    HA   ALA 115           HA       ALA 115  -8.001  19.863  -9.417
  306    HB1  ALA 115           HB1      ALA 115  -6.782  19.954 -11.473
  307    HB2  ALA 115           HB2      ALA 115  -6.597  21.570 -10.735
  308    HB3  ALA 115           HB3      ALA 115  -5.261  20.369 -10.669
  309    H    VAL 116           H        VAL 116  -4.517  19.535  -8.861
  310    HA   VAL 116           HA       VAL 116  -4.197  16.899  -9.402
  311    HB   VAL 116           HB       VAL 116  -2.691  18.851  -7.677
  312   HG11  VAL 116          HG11      VAL 116  -0.729  17.423  -7.673
  313   HG12  VAL 116          HG12      VAL 116  -2.028  16.689  -6.736
  314   HG13  VAL 116          HG13      VAL 116  -1.679  16.074  -8.370
  315   HG21  VAL 116          HG21      VAL 116  -2.847  19.117 -10.199
  316   HG22  VAL 116          HG22      VAL 116  -1.187  18.899  -9.594
  317   HG23  VAL 116          HG23      VAL 116  -2.069  17.544 -10.349
  318    H    GLU 117           H        GLU 117  -4.827  18.310  -6.151
  319    HA   GLU 117           HA       GLU 117  -4.841  15.767  -4.754
  320    HB2  GLU 117           HB2      GLU 117  -6.049  18.491  -4.089
  321    HB3  GLU 117           HB3      GLU 117  -6.084  17.095  -3.011
  322    HG2  GLU 117           HG2      GLU 117  -3.617  17.024  -2.977
  323    HG3  GLU 117           HG3      GLU 117  -3.541  18.438  -4.036
  324    H    SER 118           H        SER 118  -7.355  17.629  -6.491
  325    HA   SER 118           HA       SER 118  -9.604  16.121  -5.477
  326    HB2  SER 118           HB2      SER 118  -9.795  18.375  -6.507
  327    HB3  SER 118           HB3      SER 118  -9.379  17.672  -8.084
  328    HG   SER 118           HG       SER 118 -11.678  17.866  -7.708
  329    H    TRP 119           H        TRP 119  -7.403  15.669  -8.219
  330    HA   TRP 119           HA       TRP 119  -8.798  13.414  -9.381
  331    HB2  TRP 119           HB2      TRP 119  -5.850  14.064  -9.605
  332    HB3  TRP 119           HB3      TRP 119  -6.835  13.098 -10.683
  333    HD1  TRP 119           HD1      TRP 119  -9.177  15.492 -10.850
  334    HE1  TRP 119           HE1      TRP 119  -8.715  17.447 -12.440
  335    HE3  TRP 119           HE3      TRP 119  -4.110  14.935 -11.369
  336    HZ2  TRP 119           HZ2      TRP 119  -6.431  18.650 -13.731
  337    HZ3  TRP 119           HZ3      TRP 119  -2.820  16.477 -12.834
  338    HH2  TRP 119           HH2      TRP 119  -3.962  18.334 -14.009
  339    H    ALA 120           H        ALA 120  -7.040  13.554  -6.395
  340    HA   ALA 120           HA       ALA 120  -5.564  11.177  -6.687
  341    HB1  ALA 120           HB1      ALA 120  -5.151  13.109  -5.059
  342    HB2  ALA 120           HB2      ALA 120  -6.379  12.347  -4.022
  343    HB3  ALA 120           HB3      ALA 120  -4.901  11.451  -4.456
  344    H    THR 121           H        THR 121  -5.605   9.558  -5.220
  345    HA   THR 121           HA       THR 121  -8.141   8.102  -4.450
  346    HB   THR 121           HB       THR 121  -5.803   7.056  -6.071
  347    HG1  THR 121           HG1      THR 121  -7.388   6.828  -7.734
  348   HG21  THR 121          HG21      THR 121  -8.394   5.848  -5.045
  349   HG22  THR 121          HG22      THR 121  -7.431   5.068  -6.334
  350   HG23  THR 121          HG23      THR 121  -6.738   5.268  -4.720
  351    H    LEU 122           H        LEU 122  -7.863   6.866  -2.641
  352    HA   LEU 122           HA       LEU 122  -5.290   7.198  -1.153
  353    HB2  LEU 122           HB2      LEU 122  -7.194   8.113  -0.031
  354    HB3  LEU 122           HB3      LEU 122  -8.173   6.691  -0.364
  355    HG   LEU 122           HG       LEU 122  -6.811   5.331   1.159
  356   HD11  LEU 122          HD11      LEU 122  -4.617   6.473   1.030
  357   HD12  LEU 122          HD12      LEU 122  -5.309   7.879   1.869
  358   HD13  LEU 122          HD13      LEU 122  -5.173   6.303   2.689
  359   HD21  LEU 122          HD21      LEU 122  -7.758   7.918   2.450
  360   HD22  LEU 122          HD22      LEU 122  -8.781   6.526   2.020
  361   HD23  LEU 122          HD23      LEU 122  -7.533   6.351   3.260
  362    H    LEU 123           H        LEU 123  -3.993   5.547  -0.935
  363    HA   LEU 123           HA       LEU 123  -4.934   2.743  -1.339
  364    HB2  LEU 123           HB2      LEU 123  -2.337   4.098  -2.191
  365    HB3  LEU 123           HB3      LEU 123  -2.708   2.381  -2.381
  366    HG   LEU 123           HG       LEU 123  -4.172   4.723  -3.704
  367   HD11  LEU 123          HD11      LEU 123  -1.943   4.365  -4.570
  368   HD12  LEU 123          HD12      LEU 123  -2.236   2.622  -4.758
  369   HD13  LEU 123          HD13      LEU 123  -3.128   3.774  -5.766
  370   HD21  LEU 123          HD21      LEU 123  -4.502   1.706  -4.105
  371   HD22  LEU 123          HD22      LEU 123  -5.712   2.779  -3.384
  372   HD23  LEU 123          HD23      LEU 123  -5.279   2.984  -5.083
  373    H    GLY 124           H        GLY 124  -4.726   1.515   0.285
  374    HA2  GLY 124           HA2      GLY 124  -3.530   2.300   2.772
  375    HA3  GLY 124           HA3      GLY 124  -4.218   0.716   2.396
  376    H    HIS 125           H        HIS 125  -2.137   0.546   0.103
  377    HA   HIS 125           HA       HIS 125   0.444   0.305   1.456
  378    HB2  HIS 125           HB2      HIS 125   0.689  -2.110   0.899
  379    HB3  HIS 125           HB3      HIS 125  -0.466  -1.778   2.181
  380    HD1  HIS 125           HD1      HIS 125  -1.375  -1.614  -1.554
  381    HD2  HIS 125           HD2      HIS 125  -1.953  -3.951   1.913
  382    HE1  HIS 125           HE1      HIS 125  -3.171  -3.404  -2.160
  383    HE2  HIS 125           HE2      HIS 125  -3.510  -4.815  -0.029
  384    H5'   DC   1           H5'       DC   1  -4.930  28.970   7.739
  385   H5''   DC   1          H5''       DC   1  -3.561  29.795   6.997
  386    H4'   DC   1           H4'       DC   1  -3.228  29.742   9.359
  387    H3'   DC   1           H3'       DC   1  -1.385  28.655   7.553
  388    H2'   DC   1           H2'       DC   1  -1.466  26.488   8.134
  389   H2''   DC   1          H2''       DC   1  -0.471  26.922   9.514
  390    H1'   DC   1           H1'       DC   1  -2.211  27.076  10.998
  391    H41   DC   1           H41       DC   1  -4.975  21.369   9.091
  392    H42   DC   1           H42       DC   1  -4.844  21.375  10.854
  393    H5    DC   1           H5        DC   1  -4.220  23.284   7.731
  394    H6    DC   1           H6        DC   1  -3.277  25.510   7.871
  395   HO5'   DC   1          H5T        DC   1  -4.193  27.876   5.813
  396    H5'   DG   2           H5'       DG   2   0.033  29.005  12.098
  397   H5''   DG   2          H5''       DG   2   1.607  29.806  12.108
  398    H4'   DG   2           H4'       DG   2   1.677  28.263  13.865
  399    H3'   DG   2           H3'       DG   2   3.515  27.959  11.758
  400    H2'   DG   2           H2'       DG   2   2.511  26.042  10.897
  401   H2''   DG   2          H2''       DG   2   3.595  25.242  12.047
  402    H1'   DG   2           H1'       DG   2   1.919  25.130  13.739
  403    H8    DG   2           H8        DG   2   0.630  25.191  10.136
  404    H1    DG   2           H1        DG   2  -1.234  20.090  13.600
  405    H21   DG   2           H21       DG   2   0.604  21.620  16.070
  406    H22   DG   2           H22       DG   2  -0.362  20.222  15.588
  407    H5'   DC   3           H5'       DC   3   4.006  25.486  15.749
  408   H5''   DC   3          H5''       DC   3   5.704  25.474  16.237
  409    H4'   DC   3           H4'       DC   3   4.655  23.429  16.924
  410    H3'   DC   3           H3'       DC   3   6.889  23.404  15.061
  411    H2'   DC   3           H2'       DC   3   6.100  21.876  13.614
  412   H2''   DC   3          H2''       DC   3   6.082  20.670  14.906
  413    H1'   DC   3           H1'       DC   3   3.877  20.917  15.372
  414    H41   DC   3           H41       DC   3   1.723  21.419   9.132
  415    H42   DC   3           H42       DC   3   1.112  19.938   9.877
  416    H5    DC   3           H5        DC   3   3.325  22.871  10.329
  417    H6    DC   3           H6        DC   3   4.410  23.200  12.541
  418    H5'   DA   4           H5'       DA   4   6.138  19.630  17.428
  419   H5''   DA   4          H5''       DA   4   7.584  18.960  18.185
  420    H4'   DA   4           H4'       DA   4   6.349  17.150  17.336
  421    H3'   DA   4           H3'       DA   4   8.955  17.666  16.221
  422    H2'   DA   4           H2'       DA   4   8.164  17.983  14.093
  423   H2''   DA   4          H2''       DA   4   8.210  16.222  13.991
  424    H1'   DA   4           H1'       DA   4   5.907  16.002  14.662
  425    H8    DA   4           H8        DA   4   6.793  19.342  13.028
  426    H61   DA   4           H61       DA   4   2.636  17.640   8.683
  427    H62   DA   4           H62       DA   4   3.664  18.960   9.220
  428    H2    DA   4           H2        DA   4   3.008  14.364  11.517
  429    H5'   DT   5           H5'       DT   5   7.139  13.481  15.437
  430   H5''   DT   5          H5''       DT   5   8.322  12.239  15.850
  431    H4'   DT   5           H4'       DT   5   7.130  11.463  13.966
  432    H3'   DT   5           H3'       DT   5   9.950  11.903  13.750
  433    H2'   DT   5           H2'       DT   5   9.792  13.507  12.117
  434   H2''   DT   5          H2''       DT   5   9.638  12.126  11.017
  435    H1'   DT   5           H1'       DT   5   7.266  12.139  11.094
  436    H3    DT   5           H3        DT   5   5.657  15.302   8.298
  437    H71   DT   5           H71       DT   5   9.503  17.591  11.437
  438    H72   DT   5           H72       DT   5   9.431  17.990   9.708
  439    H73   DT   5           H73       DT   5   8.179  18.601  10.793
  440    H6    DT   5           H6        DT   5   8.958  15.413  11.830
  441    H5'   DA   6           H5'       DA   6   7.423   9.108  10.983
  442   H5''   DA   6          H5''       DA   6   8.313   7.596  10.781
  443    H4'   DA   6           H4'       DA   6   6.925   7.857   8.902
  444    H3'   DA   6           H3'       DA   6   9.683   7.548   8.558
  445    H2'   DA   6           H2'       DA   6  10.164   9.703   7.970
  446   H2''   DA   6          H2''       DA   6   9.744   9.165   6.356
  447    H1'   DA   6           H1'       DA   6   7.571  10.017   6.440
  448    H8    DA   6           H8        DA   6  10.058  11.629   8.885
  449    H61   DA   6           H61       DA   6   8.322  16.925   6.028
  450    H62   DA   6           H62       DA   6   9.490  16.264   7.171
  451    H2    DA   6           H2        DA   6   5.907  13.710   4.435
  452    H5'   DT   7           H5'       DT   7   6.855   7.833   5.137
  453   H5''   DT   7          H5''       DT   7   7.055   6.668   3.833
  454    H4'   DT   7           H4'       DT   7   6.260   8.811   3.001
  455    H3'   DT   7           H3'       DT   7   8.553   7.512   1.933
  456    H2'   DT   7           H2'       DT   7  10.015   9.199   2.625
  457   H2''   DT   7          H2''       DT   7   9.510   9.953   1.094
  458    H1'   DT   7           H1'       DT   7   7.679  11.117   2.144
  459    H3    DT   7           H3        DT   7   9.827  14.908   3.304
  460    H71   DT   7           H71       DT   7  13.153  12.124   5.420
  461    H72   DT   7           H72       DT   7  12.052  12.377   6.773
  462    H73   DT   7           H73       DT   7  12.156  10.776   6.007
  463    H6    DT   7           H6        DT   7  10.411  10.285   4.518
  464    H5'   DA   8           H5'       DA   8   7.357  10.727  -1.398
  465   H5''   DA   8          H5''       DA   8   7.493   9.833  -2.914
  466    H4'   DA   8           H4'       DA   8   8.712  11.798  -3.257
  467    H3'   DA   8           H3'       DA   8  10.440   9.410  -2.901
  468    H2'   DA   8           H2'       DA   8  11.915  10.474  -1.586
  469   H2''   DA   8          H2''       DA   8  12.348  11.466  -3.004
  470    H1'   DA   8           H1'       DA   8  10.885  13.192  -2.448
  471    H8    DA   8           H8        DA   8  11.585  11.028   0.767
  472    H61   DA   8           H61       DA   8  13.407  16.640   2.960
  473    H62   DA   8           H62       DA   8  13.177  14.981   3.507
  474    H2    DA   8           H2        DA   8  12.191  17.162  -1.049
  475    H5'   DT   9           H5'       DT   9  10.802  12.842  -5.876
  476   H5''   DT   9          H5''       DT   9  11.375  12.220  -7.430
  477    H4'   DT   9           H4'       DT   9  11.913  14.550  -7.303
  478    H3'   DT   9           H3'       DT   9  13.921  12.592  -7.654
  479    H2'   DT   9           H2'       DT   9  15.029  12.908  -5.714
  480   H2''   DT   9          H2''       DT   9  15.756  14.304  -6.496
  481    H1'   DT   9           H1'       DT   9  14.259  15.843  -5.590
  482    H3    DT   9           H3        DT   9  15.333  16.461  -1.236
  483    H71   DT   9           H71       DT   9  14.321  11.806  -0.469
  484    H72   DT   9           H72       DT   9  14.636  11.109  -2.078
  485    H73   DT   9           H73       DT   9  15.978  11.670  -1.062
  486    H6    DT   9           H6        DT   9  14.174  12.554  -3.831
  487    H5'   DG  10           H5'       DG  10  14.568  17.163  -8.165
  488   H5''   DG  10          H5''       DG  10  15.345  17.444  -9.723
  489    H4'   DG  10           H4'       DG  10  15.935  19.241  -8.306
  490    H3'   DG  10           H3'       DG  10  17.901  17.696  -9.522
  491    H2'   DG  10           H2'       DG  10  18.494  16.513  -7.603
  492   H2''   DG  10          H2''       DG  10  19.632  17.851  -7.406
  493    H1'   DG  10           H1'       DG  10  18.184  19.050  -5.954
  494    H8    DG  10           H8        DG  10  17.627  15.269  -6.040
  495    H1    DG  10           H1        DG  10  19.058  17.666  -0.236
  496    H21   DG  10           H21       DG  10  19.292  20.623  -1.959
  497    H22   DG  10           H22       DG  10  19.511  19.762  -0.434
  498    H5'   DC  11           H5'       DC  11  19.144  21.658  -7.201
  499   H5''   DC  11          H5''       DC  11  20.144  22.585  -8.314
  500    H4'   DC  11           H4'       DC  11  20.729  23.190  -6.101
  501    H3'   DC  11           H3'       DC  11  22.643  22.291  -7.921
  502    H2'   DC  11           H2'       DC  11  23.057  20.238  -6.979
  503   H2''   DC  11          H2''       DC  11  24.165  21.125  -5.933
  504    H1'   DC  11           H1'       DC  11  22.652  21.332  -4.191
  505    H41   DC  11           H41       DC  11  21.047  14.917  -3.982
  506    H42   DC  11           H42       DC  11  21.414  15.487  -2.350
  507    H5    DC  11           H5        DC  11  21.224  16.387  -5.905
  508    H6    DC  11           H6        DC  11  21.648  18.743  -6.572
  509    H5'   DG  12           H5'       DG  12  24.690  23.628  -3.995
  510   H5''   DG  12          H5''       DG  12  26.233  24.453  -4.249
  511    H4'   DG  12           H4'       DG  12  26.552  22.767  -2.591
  512    H3'   DG  12           H3'       DG  12  27.764  22.041  -5.254
  513   HO3'   DG  12          H3T        DG  12  28.926  23.548  -3.945
  514    H2'   DG  12           H2'       DG  12  27.967  19.876  -4.715
  515   H2''   DG  12          H2''       DG  12  28.606  20.245  -3.091
  516    H1'   DG  12           H1'       DG  12  26.551  20.140  -2.092
  517    H8    DG  12           H8        DG  12  25.707  19.207  -5.721
  518    H1    DG  12           H1        DG  12  24.689  14.634  -1.286
  519    H21   DG  12           H21       DG  12  26.040  16.999   0.824
  520    H22   DG  12           H22       DG  12  25.495  15.332   0.639
  521    H5'   DC  13           H5'       DC  13  25.568   7.749   3.369
  522   H5''   DC  13          H5''       DC  13  25.009   7.737   5.038
  523    H4'   DC  13           H4'       DC  13  26.320   9.710   4.641
  524    H3'   DC  13           H3'       DC  13  23.743   9.770   5.680
  525    H2'   DC  13           H2'       DC  13  22.695  10.700   3.823
  526   H2''   DC  13          H2''       DC  13  23.206  12.231   4.573
  527    H1'   DC  13           H1'       DC  13  25.189  12.351   3.337
  528    H41   DC  13           H41       DC  13  22.188  11.949  -2.541
  529    H42   DC  13           H42       DC  13  23.340  13.291  -2.578
  530    H5    DC  13           H5        DC  13  21.842  10.594  -0.523
  531    H6    DC  13           H6        DC  13  22.658  10.227   1.741
  532   HO5'   DC  13          H5T        DC  13  23.338   7.095   3.515
  533    H5'   DG  14           H5'       DG  14  26.248  14.061   5.953
  534   H5''   DG  14          H5''       DG  14  26.057  14.401   7.670
  535    H4'   DG  14           H4'       DG  14  26.242  16.488   6.679
  536    H3'   DG  14           H3'       DG  14  23.898  15.909   8.061
  537    H2'   DG  14           H2'       DG  14  22.528  15.602   6.194
  538   H2''   DG  14          H2''       DG  14  22.303  17.329   6.331
  539    H1'   DG  14           H1'       DG  14  23.874  17.844   4.700
  540    H8    DG  14           H8        DG  14  22.512  14.281   4.520
  541    H1    DG  14           H1        DG  14  22.247  17.586  -1.004
  542    H21   DG  14           H21       DG  14  23.747  20.044   0.864
  543    H22   DG  14           H22       DG  14  23.062  19.560  -0.691
  544    H5'   DC  15           H5'       DC  15  24.171  20.092   6.244
  545   H5''   DC  15          H5''       DC  15  23.479  21.426   7.170
  546    H4'   DC  15           H4'       DC  15  22.889  21.584   4.816
  547    H3'   DC  15           H3'       DC  15  20.673  21.116   6.771
  548    H2'   DC  15           H2'       DC  15  19.297  20.230   5.235
  549   H2''   DC  15          H2''       DC  15  19.563  21.584   4.111
  550    H1'   DC  15           H1'       DC  15  21.240  20.576   2.978
  551    H41   DC  15           H41       DC  15  18.696  14.510   2.583
  552    H42   DC  15           H42       DC  15  18.575  15.322   1.015
  553    H5    DC  15           H5        DC  15  19.440  15.733   4.584
  554    H6    DC  15           H6        DC  15  20.412  17.892   5.331
  555    H5'   DA  16           H5'       DA  16  20.555  23.791   3.259
  556   H5''   DA  16          H5''       DA  16  19.951  25.417   3.562
  557    H4'   DA  16           H4'       DA  16  19.326  24.819   1.369
  558    H3'   DA  16           H3'       DA  16  17.337  25.469   3.281
  559    H2'   DA  16           H2'       DA  16  16.533  23.309   3.447
  560   H2''   DA  16          H2''       DA  16  15.492  23.829   2.122
  561    H1'   DA  16           H1'       DA  16  16.970  22.948   0.446
  562    H8    DA  16           H8        DA  16  17.269  21.295   3.873
  563    H61   DA  16           H61       DA  16  15.680  16.062   0.832
  564    H62   DA  16           H62       DA  16  16.239  16.676   2.379
  565    H2    DA  16           H2        DA  16  15.340  19.356  -1.954
  566    H5'   DT  17           H5'       DT  17  15.811  24.945  -1.030
  567   H5''   DT  17          H5''       DT  17  14.734  26.259  -1.516
  568    H4'   DT  17           H4'       DT  17  13.910  24.224  -2.441
  569    H3'   DT  17           H3'       DT  17  12.279  25.755  -0.644
  570    H2'   DT  17           H2'       DT  17  12.047  24.077   0.899
  571   H2''   DT  17          H2''       DT  17  10.795  23.455  -0.190
  572    H1'   DT  17           H1'       DT  17  12.323  22.057  -1.372
  573    H3    DT  17           H3        DT  17  12.845  18.251   1.027
  574    H71   DT  17           H71       DT  17  12.861  21.077   4.950
  575    H72   DT  17           H72       DT  17  14.594  20.937   4.614
  576    H73   DT  17           H73       DT  17  13.750  22.483   4.325
  577    H6    DT  17           H6        DT  17  13.314  22.905   2.132
  578    H5'   DA  18           H5'       DA  18  10.353  22.443  -2.917
  579   H5''   DA  18          H5''       DA  18   9.011  23.024  -3.900
  580    H4'   DA  18           H4'       DA  18   8.318  20.929  -3.230
  581    H3'   DA  18           H3'       DA  18   6.901  23.086  -1.842
  582    H2'   DA  18           H2'       DA  18   7.380  22.287   0.219
  583   H2''   DA  18          H2''       DA  18   6.087  21.115  -0.120
  584    H1'   DA  18           H1'       DA  18   7.601  19.484  -0.886
  585    H8    DA  18           H8        DA  18   8.962  21.902   1.773
  586    H61   DA  18           H61       DA  18  10.913  16.510   4.415
  587    H62   DA  18           H62       DA  18  10.817  18.238   4.756
  588    H2    DA  18           H2        DA  18   9.429  15.615   0.537
  589    H5'   DT  19           H5'       DT  19   5.646  18.806  -2.346
  590   H5''   DT  19          H5''       DT  19   4.091  18.752  -3.180
  591    H4'   DT  19           H4'       DT  19   3.867  16.971  -1.682
  592    H3'   DT  19           H3'       DT  19   2.293  19.273  -0.998
  593    H2'   DT  19           H2'       DT  19   3.624  19.852   0.788
  594   H2''   DT  19          H2''       DT  19   2.489  18.756   1.635
  595    H1'   DT  19           H1'       DT  19   3.900  16.827   1.192
  596    H3    DT  19           H3        DT  19   6.910  16.447   4.481
  597    H71   DT  19           H71       DT  19   6.415  21.723   3.182
  598    H72   DT  19           H72       DT  19   6.037  21.268   4.868
  599    H73   DT  19           H73       DT  19   7.697  21.175   4.284
  600    H6    DT  19           H6        DT  19   5.333  20.145   1.842
  601    H5'   DA  20           H5'       DA  20  -1.386  15.417  -0.001
  602   H5''   DA  20          H5''       DA  20  -0.079  16.187   0.872
  603    H4'   DA  20           H4'       DA  20   0.036  13.251   0.122
  604    H3'   DA  20           H3'       DA  20  -1.903  14.391   1.746
  605    H2'   DA  20           H2'       DA  20  -0.472  15.433   3.214
  606   H2''   DA  20          H2''       DA  20  -0.594  13.896   4.085
  607    H1'   DA  20           H1'       DA  20   1.430  13.065   3.222
  608    H8    DA  20           H8        DA  20   1.637  16.844   2.382
  609    H61   DA  20           H61       DA  20   5.254  17.308   7.416
  610    H62   DA  20           H62       DA  20   4.483  18.225   6.122
  611    H2    DA  20           H2        DA  20   3.968  13.175   7.128
  612    H5'   DT  21           H5'       DT  21  -0.190  11.076   4.169
  613   H5''   DT  21          H5''       DT  21  -1.456   9.849   4.184
  614    H4'   DT  21           H4'       DT  21  -0.510   9.614   6.277
  615    H3'   DT  21           H3'       DT  21  -3.126  10.508   6.265
  616    H2'   DT  21           H2'       DT  21  -2.725  12.731   6.771
  617   H2''   DT  21          H2''       DT  21  -2.783  12.113   8.443
  618    H1'   DT  21           H1'       DT  21  -0.504  11.883   8.633
  619    H3    DT  21           H3        DT  21   1.995  15.623   8.952
  620    H71   DT  21           H71       DT  21  -1.324  17.735   6.176
  621    H72   DT  21           H72       DT  21  -0.174  17.227   4.932
  622    H73   DT  21           H73       DT  21  -1.764  16.421   5.063
  623    H6    DT  21           H6        DT  21  -1.605  14.325   5.987
  624    H5'   DG  22           H5'       DG  22  -1.108   9.648  10.356
  625   H5''   DG  22          H5''       DG  22  -2.211   8.804  11.462
  626    H4'   DG  22           H4'       DG  22  -0.984  10.352  12.751
  627    H3'   DG  22           H3'       DG  22  -3.825  10.674  12.554
  628    H2'   DG  22           H2'       DG  22  -3.651  12.737  11.494
  629   H2''   DG  22          H2''       DG  22  -3.529  13.332  13.170
  630    H1'   DG  22           H1'       DG  22  -1.123  13.179  13.131
  631    H8    DG  22           H8        DG  22  -2.808  13.986   9.777
  632    H1    DG  22           H1        DG  22   1.198  18.485  12.094
  633    H21   DG  22           H21       DG  22   1.510  16.231  14.684
  634    H22   DG  22           H22       DG  22   1.919  17.831  14.050
  635    H5'   DC  23           H5'       DC  23  -1.125  12.371  16.066
  636   H5''   DC  23          H5''       DC  23  -1.933  11.841  17.540
  637    H4'   DC  23           H4'       DC  23  -0.627  13.715  18.109
  638    H3'   DC  23           H3'       DC  23  -3.382  13.710  18.558
  639    H2'   DC  23           H2'       DC  23  -3.994  15.246  16.957
  640   H2''   DC  23          H2''       DC  23  -3.560  16.446  18.154
  641    H1'   DC  23           H1'       DC  23  -1.430  16.811  17.316
  642    H41   DC  23           H41       DC  23  -3.685  17.742  11.156
  643    H42   DC  23           H42       DC  23  -2.688  19.120  11.632
  644    H5    DC  23           H5        DC  23  -4.092  15.876  12.682
  645    H6    DC  23           H6        DC  23  -3.492  14.984  14.921
  646    H5'   DG  24           H5'       DG  24  -1.600  17.539  20.443
  647   H5''   DG  24          H5''       DG  24  -2.404  17.982  21.952
  648    H4'   DG  24           H4'       DG  24  -2.334  19.912  20.561
  649    H3'   DG  24           H3'       DG  24  -5.085  18.695  20.690
  650   HO3'   DG  24          H3T        DG  24  -5.421  20.572  21.999
  651    H2'   DG  24           H2'       DG  24  -5.815  19.930  18.957
  652   H2''   DG  24          H2''       DG  24  -5.019  21.411  19.546
  653    H1'   DG  24           H1'       DG  24  -3.109  21.044  18.344
  654    H8    DG  24           H8        DG  24  -5.283  18.093  17.200
  655    H1    DG  24           H1        DG  24  -4.004  22.615  12.769
  656    H21   DG  24           H21       DG  24  -2.299  24.056  15.402
  657    H22   DG  24           H22       DG  24  -2.841  24.223  13.731
  Start of MODEL   20
    1    H    ALA  79           H1       ALA  79  -1.662   7.010   9.090
    2    HA   ALA  79           HA       ALA  79   1.171   6.161   9.332
    3    HB1  ALA  79           HB1      ALA  79  -1.278   4.933   7.993
    4    HB2  ALA  79           HB2      ALA  79   0.397   4.309   7.846
    5    HB3  ALA  79           HB3      ALA  79  -0.434   4.288   9.418
    6    H    ARG  80           H        ARG  80   2.384   6.126   7.428
    7    HA   ARG  80           HA       ARG  80   2.015   8.269   5.548
    8    HB2  ARG  80           HB2      ARG  80   4.022   6.010   5.801
    9    HB3  ARG  80           HB3      ARG  80   4.113   7.228   4.524
   10    HG2  ARG  80           HG2      ARG  80   3.962   7.916   7.481
   11    HG3  ARG  80           HG3      ARG  80   5.475   7.767   6.579
   12    HD2  ARG  80           HD2      ARG  80   5.263   9.940   6.023
   13    HD3  ARG  80           HD3      ARG  80   3.895   9.473   5.018
   14    HE   ARG  80           HE       ARG  80   2.411  10.384   6.559
   15   HH11  ARG  80          HH11      ARG  80   5.617  10.417   8.065
   16   HH12  ARG  80          HH12      ARG  80   5.095  11.687   9.147
   17   HH21  ARG  80          HH21      ARG  80   1.875  11.835   8.232
   18   HH22  ARG  80          HH22      ARG  80   3.125  12.308   9.326
   19    H    LYS  81           H        LYS  81  -0.248   7.282   5.123
   20    HA   LYS  81           HA       LYS  81  -0.824   5.268   3.233
   21    HB2  LYS  81           HB2      LYS  81  -2.104   7.974   3.857
   22    HB3  LYS  81           HB3      LYS  81  -2.849   6.775   2.808
   23    HG2  LYS  81           HG2      LYS  81  -3.283   5.276   4.566
   24    HG3  LYS  81           HG3      LYS  81  -2.119   6.038   5.668
   25    HD2  LYS  81           HD2      LYS  81  -3.487   8.017   5.896
   26    HD3  LYS  81           HD3      LYS  81  -4.625   7.452   4.667
   27    HE2  LYS  81           HE2      LYS  81  -5.195   5.488   6.119
   28    HE3  LYS  81           HE3      LYS  81  -4.069   6.096   7.344
   29    HZ1  LYS  81           HZ1      LYS  81  -5.433   8.152   7.452
   30    HZ2  LYS  81           HZ2      LYS  81  -6.532   7.494   6.423
   31    HZ3  LYS  81           HZ3      LYS  81  -6.287   6.824   7.897
   32    H    VAL  82           H        VAL  82  -0.506   5.080   1.291
   33    HA   VAL  82           HA       VAL  82   0.798   7.018  -0.471
   34    HB   VAL  82           HB       VAL  82  -0.505   4.329  -1.042
   35   HG11  VAL  82          HG11      VAL  82   1.088   6.179  -2.871
   36   HG12  VAL  82          HG12      VAL  82   0.886   4.436  -3.172
   37   HG13  VAL  82          HG13      VAL  82  -0.531   5.472  -3.116
   38   HG21  VAL  82          HG21      VAL  82   1.716   3.435  -1.099
   39   HG22  VAL  82          HG22      VAL  82   2.422   5.034  -0.811
   40   HG23  VAL  82          HG23      VAL  82   1.447   4.231   0.462
   41    H    LYS  83           H        LYS  83  -0.111   8.417  -1.824
   42    HA   LYS  83           HA       LYS  83  -3.017   8.217  -2.451
   43    HB2  LYS  83           HB2      LYS  83  -1.222  10.599  -2.085
   44    HB3  LYS  83           HB3      LYS  83  -2.387  10.635  -3.426
   45    HG2  LYS  83           HG2      LYS  83  -4.254  10.237  -1.984
   46    HG3  LYS  83           HG3      LYS  83  -3.199  10.084  -0.559
   47    HD2  LYS  83           HD2      LYS  83  -2.468  12.374  -0.743
   48    HD3  LYS  83           HD3      LYS  83  -3.254  12.572  -2.319
   49    HE2  LYS  83           HE2      LYS  83  -5.380  12.671  -1.482
   50    HE3  LYS  83           HE3      LYS  83  -4.953  11.871   0.055
   51    HZ1  LYS  83           HZ1      LYS  83  -5.283  14.331   0.227
   52    HZ2  LYS  83           HZ2      LYS  83  -3.849  13.802   0.780
   53    HZ3  LYS  83           HZ3      LYS  83  -3.957  14.566  -0.707
   54    H    GLN  84           H        GLN  84  -3.445   7.604  -4.442
   55    HA   GLN  84           HA       GLN  84  -1.272   7.531  -6.444
   56    HB2  GLN  84           HB2      GLN  84  -2.219   5.532  -6.898
   57    HB3  GLN  84           HB3      GLN  84  -3.732   5.909  -6.050
   58    HG2  GLN  84           HG2      GLN  84  -4.535   7.111  -7.983
   59    HG3  GLN  84           HG3      GLN  84  -2.996   6.833  -8.852
   60   HE21  GLN  84          HE21      GLN  84  -2.378   4.421  -9.174
   61   HE22  GLN  84          HE22      GLN  84  -3.724   3.325  -9.450
   62    H    TYR  85           H        TYR  85  -1.524   8.866  -8.187
   63    HA   TYR  85           HA       TYR  85  -3.829  10.784  -8.216
   64    HB2  TYR  85           HB2      TYR  85  -0.914  11.470  -8.785
   65    HB3  TYR  85           HB3      TYR  85  -2.286  12.564  -8.877
   66    HD1  TYR  85           HD1      TYR  85  -3.429  13.342  -6.852
   67    HD2  TYR  85           HD2      TYR  85   0.158  10.977  -6.651
   68    HE1  TYR  85           HE1      TYR  85  -3.023  14.190  -4.544
   69    HE2  TYR  85           HE2      TYR  85   0.587  11.822  -4.346
   70    HH   TYR  85           HH       TYR  85  -1.556  14.255  -2.801
   71    H    LYS  86           H        LYS  86  -4.678  11.084 -10.271
   72    HA   LYS  86           HA       LYS  86  -3.218   9.963 -12.633
   73    HB2  LYS  86           HB2      LYS  86  -4.861   8.311 -11.949
   74    HB3  LYS  86           HB3      LYS  86  -6.126   9.529 -11.818
   75    HG2  LYS  86           HG2      LYS  86  -6.185   9.880 -14.207
   76    HG3  LYS  86           HG3      LYS  86  -4.709   8.940 -14.455
   77    HD2  LYS  86           HD2      LYS  86  -5.905   6.905 -13.585
   78    HD3  LYS  86           HD3      LYS  86  -7.392   7.874 -13.462
   79    HE2  LYS  86           HE2      LYS  86  -7.228   8.357 -15.928
   80    HE3  LYS  86           HE3      LYS  86  -5.779   7.346 -16.006
   81    HZ1  LYS  86           HZ1      LYS  86  -8.496   6.384 -15.223
   82    HZ2  LYS  86           HZ2      LYS  86  -7.779   6.107 -16.665
   83    HZ3  LYS  86           HZ3      LYS  86  -7.163   5.440 -15.307
   84    H    ASN  87           H        ASN  87  -3.285  11.219 -14.407
   85    HA   ASN  87           HA       ASN  87  -4.520  13.911 -14.056
   86    HB2  ASN  87           HB2      ASN  87  -2.141  13.675 -14.284
   87    HB3  ASN  87           HB3      ASN  87  -2.313  12.944 -15.877
   88   HD21  ASN  87          HD22      ASN  87  -0.893  15.408 -15.094
   89   HD22  ASN  87          HD21      ASN  87  -1.719  16.707 -15.956
   90    HA   PRO  88           HA       PRO  88  -7.707  12.657 -17.097
   91    HB2  PRO  88           HB2      PRO  88  -8.281  15.606 -16.736
   92    HB3  PRO  88           HB3      PRO  88  -9.434  14.238 -16.833
   93    HG2  PRO  88           HG2      PRO  88  -8.801  15.322 -14.427
   94    HG3  PRO  88           HG3      PRO  88  -8.899  13.542 -14.605
   95    HD2  PRO  88           HD2      PRO  88  -6.436  15.292 -14.577
   96    HD3  PRO  88           HD3      PRO  88  -6.731  13.720 -13.788
   97    H    HIS  89           H        HIS  89  -5.366  15.302 -17.410
   98    HA   HIS  89           HA       HIS  89  -6.054  15.894 -20.211
   99    HB2  HIS  89           HB2      HIS  89  -3.833  17.009 -18.457
  100    HB3  HIS  89           HB3      HIS  89  -4.404  17.665 -19.985
  101    HD1  HIS  89           HD1      HIS  89  -6.997  18.697 -19.932
  102    HD2  HIS  89           HD2      HIS  89  -5.132  17.728 -16.269
  103    HE1  HIS  89           HE1      HIS  89  -8.370  19.867 -18.095
  104    HE2  HIS  89           HE2      HIS  89  -7.230  19.284 -15.867
  105    H    THR  90           H        THR  90  -3.760  13.815 -18.620
  106    HA   THR  90           HA       THR  90  -2.274  13.415 -21.204
  107    HB   THR  90           HB       THR  90  -0.276  13.018 -19.911
  108    HG1  THR  90           HG1      THR  90  -0.365  13.246 -17.642
  109   HG21  THR  90          HG21      THR  90  -1.616  15.475 -18.703
  110   HG22  THR  90          HG22      THR  90   0.129  15.168 -18.857
  111   HG23  THR  90          HG23      THR  90  -0.848  15.444 -20.317
  112    H    GLY  91           H        GLY  91  -3.945  11.788 -18.572
  113    HA2  GLY  91           HA2      GLY  91  -4.540   9.573 -18.344
  114    HA3  GLY  91           HA3      GLY  91  -3.701   9.169 -19.846
  115    H    GLU  92           H        GLU  92  -1.659  10.899 -17.606
  116    HA   GLU  92           HA       GLU  92  -0.123   8.510 -16.991
  117    HB2  GLU  92           HB2      GLU  92   0.276  11.470 -16.548
  118    HB3  GLU  92           HB3      GLU  92   1.238  10.297 -15.660
  119    HG2  GLU  92           HG2      GLU  92   1.032  10.110 -18.650
  120    HG3  GLU  92           HG3      GLU  92   2.160  11.238 -17.860
  121    H    VAL  93           H        VAL  93   0.351   7.951 -14.956
  122    HA   VAL  93           HA       VAL  93  -1.340   8.808 -12.677
  123    HB   VAL  93           HB       VAL  93  -0.567   5.989 -13.368
  124   HG11  VAL  93          HG11      VAL  93  -2.353   5.327 -11.702
  125   HG12  VAL  93          HG12      VAL  93  -1.026   6.176 -10.930
  126   HG13  VAL  93          HG13      VAL  93  -2.544   7.030 -11.264
  127   HG21  VAL  93          HG21      VAL  93  -2.180   6.711 -15.039
  128   HG22  VAL  93          HG22      VAL  93  -3.028   5.648 -13.909
  129   HG23  VAL  93          HG23      VAL  93  -3.217   7.417 -13.789
  130    H    ILE  94           H        ILE  94  -0.429   8.387 -10.670
  131    HA   ILE  94           HA       ILE  94   2.397   7.637 -10.326
  132    HB   ILE  94           HB       ILE  94   1.858   9.893  -8.602
  133   HG12  ILE  94          HG12      ILE  94   1.876  10.787 -11.509
  134   HG13  ILE  94          HG13      ILE  94   0.435  10.772 -10.471
  135   HG21  ILE  94          HG21      ILE  94   4.030  10.595  -9.218
  136   HG22  ILE  94          HG22      ILE  94   4.068   8.838  -9.194
  137   HG23  ILE  94          HG23      ILE  94   3.975   9.696 -10.762
  138   HD11  ILE  94          HD11      ILE  94   2.949  12.405 -10.008
  139   HD12  ILE  94          HD12      ILE  94   1.326  12.990 -10.415
  140   HD13  ILE  94          HD13      ILE  94   1.625  12.231  -8.829
  141    H    GLU  95           H        GLU  95   2.898   7.545  -8.018
  142    HA   GLU  95           HA       GLU  95   0.747   7.277  -6.027
  143    HB2  GLU  95           HB2      GLU  95   2.586   5.079  -6.977
  144    HB3  GLU  95           HB3      GLU  95   1.992   5.101  -5.293
  145    HG2  GLU  95           HG2      GLU  95  -0.292   4.986  -5.993
  146    HG3  GLU  95           HG3      GLU  95   0.147   5.155  -7.703
  147    H    THR  96           H        THR  96   1.465   8.447  -4.329
  148    HA   THR  96           HA       THR  96   4.293   8.251  -3.432
  149    HB   THR  96           HB       THR  96   4.939  10.361  -3.767
  150    HG1  THR  96           HG1      THR  96   3.640  12.164  -3.491
  151   HG21  THR  96          HG21      THR  96   2.574  10.568  -5.688
  152   HG22  THR  96          HG22      THR  96   4.029  11.593  -5.699
  153   HG23  THR  96          HG23      THR  96   4.168   9.885  -6.098
  154    H    LYS  97           H        LYS  97   4.589   8.926  -1.199
  155    HA   LYS  97           HA       LYS  97   2.061   8.874   0.412
  156    HB2  LYS  97           HB2      LYS  97   4.933   8.694   1.295
  157    HB3  LYS  97           HB3      LYS  97   3.522   8.346   2.287
  158    HG2  LYS  97           HG2      LYS  97   3.001   6.359   1.005
  159    HG3  LYS  97           HG3      LYS  97   4.213   6.741  -0.216
  160    HD2  LYS  97           HD2      LYS  97   5.954   6.587   1.702
  161    HD3  LYS  97           HD3      LYS  97   4.666   5.813   2.625
  162    HE2  LYS  97           HE2      LYS  97   5.990   4.085   1.658
  163    HE3  LYS  97           HE3      LYS  97   4.458   4.100   0.783
  164    HZ1  LYS  97           HZ1      LYS  97   6.436   3.944  -0.702
  165    HZ2  LYS  97           HZ2      LYS  97   5.599   5.317  -1.025
  166    HZ3  LYS  97           HZ3      LYS  97   6.986   5.403  -0.193
  167    H    GLY  98           H        GLY  98   3.415  11.243  -1.091
  168    HA2  GLY  98           HA2      GLY  98   2.809  13.571  -0.417
  169    HA3  GLY  98           HA3      GLY  98   3.647  13.244   1.110
  170    H    GLY  99           H        GLY  99   4.797  15.170   0.463
  171    HA2  GLY  99           HA2      GLY  99   6.829  16.073   0.155
  172    HA3  GLY  99           HA3      GLY  99   7.417  14.494  -0.332
  173    H    ASN 100           H        ASN 100   8.529  16.679  -1.265
  174    HA   ASN 100           HA       ASN 100   7.937  17.585  -3.886
  175    HB2  ASN 100           HB2      ASN 100   9.584  18.702  -2.574
  176    HB3  ASN 100           HB3      ASN 100  10.362  17.207  -2.130
  177   HD21  ASN 100          HD22      ASN 100  12.216  18.598  -2.567
  178   HD22  ASN 100          HD21      ASN 100  12.952  18.225  -4.112
  179    H    HIS 101           H        HIS 101   7.223  16.066  -5.315
  180    HA   HIS 101           HA       HIS 101   9.125  13.937  -6.179
  181    HB2  HIS 101           HB2      HIS 101   7.210  13.043  -4.794
  182    HB3  HIS 101           HB3      HIS 101   6.095  13.630  -6.016
  183    HD1  HIS 101           HD1      HIS 101   9.049  11.061  -5.677
  184    HD2  HIS 101           HD2      HIS 101   5.703  12.028  -8.098
  185    HE1  HIS 101           HE1      HIS 101   8.786   9.155  -7.361
  186    HE2  HIS 101           HE2      HIS 101   6.774   9.735  -8.848
  187    H    LYS 102           H        LYS 102   9.551  13.957  -8.367
  188    HA   LYS 102           HA       LYS 102   9.246  16.278  -9.784
  189    HB2  LYS 102           HB2      LYS 102  10.856  14.346 -10.195
  190    HB3  LYS 102           HB3      LYS 102   9.587  13.596 -11.156
  191    HG2  LYS 102           HG2      LYS 102  10.907  14.765 -12.730
  192    HG3  LYS 102           HG3      LYS 102   9.487  15.774 -12.502
  193    HD2  LYS 102           HD2      LYS 102  11.452  17.177 -12.625
  194    HD3  LYS 102           HD3      LYS 102  10.734  17.303 -11.038
  195    HE2  LYS 102           HE2      LYS 102  13.113  17.241 -10.764
  196    HE3  LYS 102           HE3      LYS 102  12.471  15.732 -10.126
  197    HZ1  LYS 102           HZ1      LYS 102  14.414  15.319 -11.483
  198    HZ2  LYS 102           HZ2      LYS 102  13.145  14.659 -12.257
  199    HZ3  LYS 102           HZ3      LYS 102  13.773  16.079 -12.789
  200    H    THR 103           H        THR 103   7.350  13.446 -10.997
  201    HA   THR 103           HA       THR 103   5.871  14.981 -12.829
  202    HB   THR 103           HB       THR 103   4.868  12.461 -11.469
  203    HG1  THR 103           HG1      THR 103   5.942  11.448 -13.220
  204   HG21  THR 103          HG21      THR 103   3.115  13.441 -12.774
  205   HG22  THR 103          HG22      THR 103   4.228  13.904 -14.070
  206   HG23  THR 103          HG23      THR 103   3.797  12.182 -13.809
  207    H    LEU 104           H        LEU 104   5.044  14.233  -9.465
  208    HA   LEU 104           HA       LEU 104   2.430  15.353  -9.413
  209    HB2  LEU 104           HB2      LEU 104   3.428  13.794  -7.743
  210    HB3  LEU 104           HB3      LEU 104   4.535  15.064  -7.220
  211    HG   LEU 104           HG       LEU 104   2.656  16.388  -6.360
  212   HD11  LEU 104          HD11      LEU 104   0.402  15.345  -6.195
  213   HD12  LEU 104          HD12      LEU 104   0.853  15.635  -7.883
  214   HD13  LEU 104          HD13      LEU 104   0.945  13.996  -7.200
  215   HD21  LEU 104          HD21      LEU 104   3.789  14.744  -4.903
  216   HD22  LEU 104          HD22      LEU 104   2.082  14.930  -4.476
  217   HD23  LEU 104          HD23      LEU 104   2.601  13.503  -5.389
  218    H    LYS 105           H        LYS 105   5.645  16.872  -8.956
  219    HA   LYS 105           HA       LYS 105   4.582  19.514  -8.317
  220    HB2  LYS 105           HB2      LYS 105   7.320  18.488  -9.176
  221    HB3  LYS 105           HB3      LYS 105   7.010  20.192  -8.952
  222    HG2  LYS 105           HG2      LYS 105   6.712  18.046  -6.799
  223    HG3  LYS 105           HG3      LYS 105   8.072  19.146  -6.983
  224    HD2  LYS 105           HD2      LYS 105   5.231  19.857  -6.156
  225    HD3  LYS 105           HD3      LYS 105   6.694  19.946  -5.185
  226    HE2  LYS 105           HE2      LYS 105   7.596  21.697  -6.785
  227    HE3  LYS 105           HE3      LYS 105   6.036  21.677  -7.617
  228    HZ1  LYS 105           HZ1      LYS 105   5.995  23.451  -6.013
  229    HZ2  LYS 105           HZ2      LYS 105   5.015  22.268  -5.396
  230    HZ3  LYS 105           HZ3      LYS 105   6.497  22.474  -4.787
  231    H    GLU 106           H        GLU 106   5.326  17.895 -11.412
  232    HA   GLU 106           HA       GLU 106   5.186  20.343 -12.927
  233    HB2  GLU 106           HB2      GLU 106   4.452  17.590 -13.954
  234    HB3  GLU 106           HB3      GLU 106   5.000  19.002 -14.886
  235    HG2  GLU 106           HG2      GLU 106   7.178  18.765 -13.469
  236    HG3  GLU 106           HG3      GLU 106   6.483  17.186 -13.035
  237    H    TRP 107           H        TRP 107   2.884  17.775 -12.141
  238    HA   TRP 107           HA       TRP 107   0.645  18.914 -13.496
  239    HB2  TRP 107           HB2      TRP 107   0.644  17.220 -10.979
  240    HB3  TRP 107           HB3      TRP 107  -0.763  17.578 -11.977
  241    HD1  TRP 107           HD1      TRP 107   1.993  16.830 -14.321
  242    HE1  TRP 107           HE1      TRP 107   1.899  14.400 -15.099
  243    HE3  TRP 107           HE3      TRP 107  -1.445  15.011 -10.970
  244    HZ2  TRP 107           HZ2      TRP 107   0.739  11.947 -14.233
  245    HZ3  TRP 107           HZ3      TRP 107  -2.084  12.617 -11.060
  246    HH2  TRP 107           HH2      TRP 107  -0.961  11.066 -12.641
  247    H    LYS 108           H        LYS 108   1.840  19.647 -10.217
  248    HA   LYS 108           HA       LYS 108  -0.283  21.503  -9.525
  249    HB2  LYS 108           HB2      LYS 108   2.630  21.340  -8.623
  250    HB3  LYS 108           HB3      LYS 108   1.452  22.496  -7.983
  251    HG2  LYS 108           HG2      LYS 108  -0.047  20.588  -7.370
  252    HG3  LYS 108           HG3      LYS 108   1.219  19.458  -7.856
  253    HD2  LYS 108           HD2      LYS 108   2.787  20.581  -6.242
  254    HD3  LYS 108           HD3      LYS 108   1.451  21.625  -5.717
  255    HE2  LYS 108           HE2      LYS 108   0.136  19.465  -5.207
  256    HE3  LYS 108           HE3      LYS 108   1.617  18.581  -5.549
  257    HZ1  LYS 108           HZ1      LYS 108   1.142  20.474  -3.329
  258    HZ2  LYS 108           HZ2      LYS 108   1.688  18.913  -3.299
  259    HZ3  LYS 108           HZ3      LYS 108   2.670  20.147  -3.824
  260    H    ALA 109           H        ALA 109   2.777  21.912 -11.377
  261    HA   ALA 109           HA       ALA 109   2.659  24.761 -11.547
  262    HB1  ALA 109           HB1      ALA 109   4.337  24.472 -13.292
  263    HB2  ALA 109           HB2      ALA 109   4.683  23.288 -12.001
  264    HB3  ALA 109           HB3      ALA 109   3.902  22.783 -13.523
  265    H    LYS 110           H        LYS 110   1.730  22.139 -13.742
  266    HA   LYS 110           HA       LYS 110   0.883  23.751 -15.783
  267    HB2  LYS 110           HB2      LYS 110   0.678  20.814 -15.178
  268    HB3  LYS 110           HB3      LYS 110  -0.021  21.460 -16.677
  269    HG2  LYS 110           HG2      LYS 110   2.186  22.400 -17.305
  270    HG3  LYS 110           HG3      LYS 110   2.891  21.781 -15.810
  271    HD2  LYS 110           HD2      LYS 110   3.526  20.207 -17.451
  272    HD3  LYS 110           HD3      LYS 110   2.214  19.447 -16.557
  273    HE2  LYS 110           HE2      LYS 110   1.705  18.982 -18.810
  274    HE3  LYS 110           HE3      LYS 110   0.629  20.325 -18.398
  275    HZ1  LYS 110           HZ1      LYS 110   3.215  20.584 -19.877
  276    HZ2  LYS 110           HZ2      LYS 110   1.736  20.656 -20.555
  277    HZ3  LYS 110           HZ3      LYS 110   2.210  21.830 -19.531
  278    H    TRP 111           H        TRP 111  -1.031  22.213 -13.243
  279    HA   TRP 111           HA       TRP 111  -3.516  23.552 -14.269
  280    HB2  TRP 111           HB2      TRP 111  -3.332  20.733 -13.181
  281    HB3  TRP 111           HB3      TRP 111  -4.804  21.572 -13.658
  282    HD1  TRP 111           HD1      TRP 111  -5.117  22.064 -16.319
  283    HE1  TRP 111           HE1      TRP 111  -4.212  20.867 -18.406
  284    HE3  TRP 111           HE3      TRP 111  -1.405  19.355 -14.129
  285    HZ2  TRP 111           HZ2      TRP 111  -2.094  18.997 -19.043
  286    HZ3  TRP 111           HZ3      TRP 111   0.141  17.957 -15.512
  287    HH2  TRP 111           HH2      TRP 111  -0.235  17.716 -17.946
  288    H    GLY 112           H        GLY 112  -2.172  21.967 -11.285
  289    HA2  GLY 112           HA2      GLY 112  -1.979  23.922  -9.566
  290    HA3  GLY 112           HA3      GLY 112  -3.730  23.942  -9.629
  291    HA   PRO 113           HA       PRO 113  -1.981  20.695  -6.533
  292    HB2  PRO 113           HB2      PRO 113  -2.266  22.090  -4.141
  293    HB3  PRO 113           HB3      PRO 113  -0.761  21.950  -5.093
  294    HG2  PRO 113           HG2      PRO 113  -2.769  24.202  -5.086
  295    HG3  PRO 113           HG3      PRO 113  -0.974  24.295  -5.063
  296    HD2  PRO 113           HD2      PRO 113  -2.403  24.665  -7.333
  297    HD3  PRO 113           HD3      PRO 113  -0.829  23.808  -7.353
  298    H    GLU 114           H        GLU 114  -4.731  22.968  -6.294
  299    HA   GLU 114           HA       GLU 114  -6.447  21.380  -4.663
  300    HB2  GLU 114           HB2      GLU 114  -7.327  23.154  -6.960
  301    HB3  GLU 114           HB3      GLU 114  -8.186  22.734  -5.453
  302    HG2  GLU 114           HG2      GLU 114  -6.356  24.002  -4.207
  303    HG3  GLU 114           HG3      GLU 114  -5.754  24.503  -5.800
  304    H    ALA 115           H        ALA 115  -6.067  21.662  -8.135
  305    HA   ALA 115           HA       ALA 115  -7.987  19.801  -9.049
  306    HB1  ALA 115           HB1      ALA 115  -6.845  19.964 -11.146
  307    HB2  ALA 115           HB2      ALA 115  -6.622  21.551 -10.360
  308    HB3  ALA 115           HB3      ALA 115  -5.295  20.339 -10.387
  309    H    VAL 116           H        VAL 116  -4.497  19.478  -8.595
  310    HA   VAL 116           HA       VAL 116  -4.150  16.862  -9.214
  311    HB   VAL 116           HB       VAL 116  -2.653  18.818  -7.484
  312   HG11  VAL 116          HG11      VAL 116  -0.671  17.424  -7.497
  313   HG12  VAL 116          HG12      VAL 116  -1.948  16.659  -6.561
  314   HG13  VAL 116          HG13      VAL 116  -1.597  16.066  -8.200
  315   HG21  VAL 116          HG21      VAL 116  -2.867  19.066 -10.014
  316   HG22  VAL 116          HG22      VAL 116  -1.197  18.921  -9.425
  317   HG23  VAL 116          HG23      VAL 116  -2.026  17.517 -10.153
  318    H    GLU 117           H        GLU 117  -4.742  18.187  -5.923
  319    HA   GLU 117           HA       GLU 117  -4.792  15.612  -4.581
  320    HB2  GLU 117           HB2      GLU 117  -5.861  18.396  -3.947
  321    HB3  GLU 117           HB3      GLU 117  -6.169  17.036  -2.875
  322    HG2  GLU 117           HG2      GLU 117  -3.323  17.671  -3.710
  323    HG3  GLU 117           HG3      GLU 117  -4.132  18.605  -2.453
  324    H    SER 118           H        SER 118  -7.273  17.543  -6.260
  325    HA   SER 118           HA       SER 118  -9.537  16.012  -5.283
  326    HB2  SER 118           HB2      SER 118  -9.331  17.717  -7.795
  327    HB3  SER 118           HB3      SER 118 -10.819  17.054  -7.097
  328    HG   SER 118           HG       SER 118  -9.053  18.973  -5.988
  329    H    TRP 119           H        TRP 119  -7.363  15.619  -8.047
  330    HA   TRP 119           HA       TRP 119  -8.820  13.413  -9.247
  331    HB2  TRP 119           HB2      TRP 119  -5.866  14.026  -9.482
  332    HB3  TRP 119           HB3      TRP 119  -6.882  13.095 -10.579
  333    HD1  TRP 119           HD1      TRP 119  -9.174  15.533 -10.679
  334    HE1  TRP 119           HE1      TRP 119  -8.681  17.520 -12.227
  335    HE3  TRP 119           HE3      TRP 119  -4.135  14.859 -11.271
  336    HZ2  TRP 119           HZ2      TRP 119  -6.381  18.687 -13.533
  337    HZ3  TRP 119           HZ3      TRP 119  -2.821  16.399 -12.725
  338    HH2  TRP 119           HH2      TRP 119  -3.921  18.316 -13.839
  339    H    ALA 120           H        ALA 120  -7.002  13.469  -6.278
  340    HA   ALA 120           HA       ALA 120  -5.555  11.083  -6.668
  341    HB1  ALA 120           HB1      ALA 120  -4.836  11.311  -4.433
  342    HB2  ALA 120           HB2      ALA 120  -5.056  12.974  -5.022
  343    HB3  ALA 120           HB3      ALA 120  -6.287  12.245  -3.970
  344    H    THR 121           H        THR 121  -5.571   9.446  -5.224
  345    HA   THR 121           HA       THR 121  -8.100   7.989  -4.426
  346    HB   THR 121           HB       THR 121  -5.752   6.949  -6.038
  347    HG1  THR 121           HG1      THR 121  -8.449   7.379  -6.878
  348   HG21  THR 121          HG21      THR 121  -7.385   4.961  -6.322
  349   HG22  THR 121          HG22      THR 121  -6.688   5.161  -4.707
  350   HG23  THR 121          HG23      THR 121  -8.345   5.735  -5.022
  351    H    LEU 122           H        LEU 122  -7.778   6.708  -2.623
  352    HA   LEU 122           HA       LEU 122  -5.178   7.103  -1.185
  353    HB2  LEU 122           HB2      LEU 122  -7.450   8.025  -0.372
  354    HB3  LEU 122           HB3      LEU 122  -7.823   6.368   0.083
  355    HG   LEU 122           HG       LEU 122  -5.420   8.004   1.028
  356   HD11  LEU 122          HD11      LEU 122  -6.603   8.130   3.179
  357   HD12  LEU 122          HD12      LEU 122  -7.608   8.812   1.893
  358   HD13  LEU 122          HD13      LEU 122  -7.957   7.184   2.513
  359   HD21  LEU 122          HD21      LEU 122  -5.301   6.176   2.829
  360   HD22  LEU 122          HD22      LEU 122  -6.314   5.199   1.754
  361   HD23  LEU 122          HD23      LEU 122  -4.708   5.778   1.224
  362    H    LEU 123           H        LEU 123  -3.907   5.491  -0.999
  363    HA   LEU 123           HA       LEU 123  -4.841   2.671  -1.330
  364    HB2  LEU 123           HB2      LEU 123  -2.263   4.032  -2.231
  365    HB3  LEU 123           HB3      LEU 123  -2.628   2.309  -2.400
  366    HG   LEU 123           HG       LEU 123  -4.076   4.649  -3.738
  367   HD11  LEU 123          HD11      LEU 123  -1.868   4.187  -4.640
  368   HD12  LEU 123          HD12      LEU 123  -2.227   2.454  -4.779
  369   HD13  LEU 123          HD13      LEU 123  -3.097   3.614  -5.795
  370   HD21  LEU 123          HD21      LEU 123  -5.690   2.800  -3.357
  371   HD22  LEU 123          HD22      LEU 123  -5.247   2.878  -5.068
  372   HD23  LEU 123          HD23      LEU 123  -4.530   1.632  -4.011
  373    H    GLY 124           H        GLY 124  -4.581   1.437   0.297
  374    HA2  GLY 124           HA2      GLY 124  -3.342   2.267   2.753
  375    HA3  GLY 124           HA3      GLY 124  -4.040   0.681   2.412
  376    H    HIS 125           H        HIS 125  -1.990   0.492   0.084
  377    HA   HIS 125           HA       HIS 125   0.606   0.252   1.402
  378    HB2  HIS 125           HB2      HIS 125   0.846  -2.164   0.855
  379    HB3  HIS 125           HB3      HIS 125  -0.296  -1.826   2.147
  380    HD1  HIS 125           HD1      HIS 125  -1.263  -1.680  -1.573
  381    HD2  HIS 125           HD2      HIS 125  -1.784  -3.987   1.916
  382    HE1  HIS 125           HE1      HIS 125  -3.076  -3.471  -2.139
  383    HE2  HIS 125           HE2      HIS 125  -3.374  -4.865   0.013
  384    H5'   DC   1           H5'       DC   1  -4.392  29.599   7.213
  385   H5''   DC   1          H5''       DC   1  -2.939  30.358   6.568
  386    H4'   DC   1           H4'       DC   1  -2.765  30.289   8.951
  387    H3'   DC   1           H3'       DC   1  -0.865  29.096   7.281
  388    H2'   DC   1           H2'       DC   1  -1.123  26.938   7.843
  389   H2''   DC   1          H2''       DC   1  -0.194  27.305   9.284
  390    H1'   DC   1           H1'       DC   1  -2.021  27.580  10.654
  391    H41   DC   1           H41       DC   1  -4.948  22.013   8.574
  392    H42   DC   1           H42       DC   1  -4.919  22.015  10.343
  393    H5    DC   1           H5        DC   1  -4.000  23.883   7.259
  394    H6    DC   1           H6        DC   1  -2.970  26.066   7.466
  395   HO5'   DC   1          H5T        DC   1  -3.574  28.476   5.337
  396    H5'   DG   2           H5'       DG   2   0.237  29.314  11.934
  397   H5''   DG   2          H5''       DG   2   1.827  30.067  12.041
  398    H4'   DG   2           H4'       DG   2   1.771  28.547  13.795
  399    H3'   DG   2           H3'       DG   2   3.691  28.161  11.784
  400    H2'   DG   2           H2'       DG   2   2.655  26.285  10.872
  401   H2''   DG   2          H2''       DG   2   3.659  25.443  12.065
  402    H1'   DG   2           H1'       DG   2   1.910  25.373  13.681
  403    H8    DG   2           H8        DG   2   0.775  25.544  10.030
  404    H1    DG   2           H1        DG   2  -1.527  20.521  13.349
  405    H21   DG   2           H21       DG   2   0.296  21.907  15.912
  406    H22   DG   2           H22       DG   2  -0.753  20.589  15.374
  407    H5'   DC   3           H5'       DC   3   3.992  25.632  15.773
  408   H5''   DC   3          H5''       DC   3   5.672  25.564  16.308
  409    H4'   DC   3           H4'       DC   3   4.568  23.517  16.901
  410    H3'   DC   3           H3'       DC   3   6.830  23.493  15.059
  411    H2'   DC   3           H2'       DC   3   6.023  22.010  13.566
  412   H2''   DC   3          H2''       DC   3   5.944  20.780  14.837
  413    H1'   DC   3           H1'       DC   3   3.744  21.092  15.285
  414    H41   DC   3           H41       DC   3   1.666  21.768   9.035
  415    H42   DC   3           H42       DC   3   0.958  20.317   9.757
  416    H5    DC   3           H5        DC   3   3.332  23.109  10.253
  417    H6    DC   3           H6        DC   3   4.424  23.361  12.471
  418    H5'   DA   4           H5'       DA   4   5.989  19.703  17.362
  419   H5''   DA   4          H5''       DA   4   7.416  18.958  18.089
  420    H4'   DA   4           H4'       DA   4   6.089  17.225  17.210
  421    H3'   DA   4           H3'       DA   4   8.715  17.654  16.089
  422    H2'   DA   4           H2'       DA   4   7.950  17.977  13.964
  423   H2''   DA   4          H2''       DA   4   7.887  16.215  13.884
  424    H1'   DA   4           H1'       DA   4   5.584  16.136  14.543
  425    H8    DA   4           H8        DA   4   6.674  19.407  12.886
  426    H61   DA   4           H61       DA   4   2.291  17.991   8.624
  427    H62   DA   4           H62       DA   4   3.431  19.235   9.110
  428    H2    DA   4           H2        DA   4   2.469  14.745  11.504
  429    H5'   DT   5           H5'       DT   5   6.889  13.364  15.567
  430   H5''   DT   5          H5''       DT   5   8.122  12.116  15.782
  431    H4'   DT   5           H4'       DT   5   6.697  11.519  13.931
  432    H3'   DT   5           H3'       DT   5   9.535  11.963  13.507
  433    H2'   DT   5           H2'       DT   5   9.291  13.388  11.768
  434   H2''   DT   5          H2''       DT   5   8.802  11.987  10.806
  435    H1'   DT   5           H1'       DT   5   6.502  12.279  11.237
  436    H3    DT   5           H3        DT   5   5.040  15.494   8.415
  437    H71   DT   5           H71       DT   5   8.071  18.578  10.636
  438    H72   DT   5           H72       DT   5   9.338  17.435  11.158
  439    H73   DT   5           H73       DT   5   9.128  17.827   9.439
  440    H6    DT   5           H6        DT   5   8.571  15.361  11.705
  441    H5'   DA   6           H5'       DA   6   7.177   8.893  10.678
  442   H5''   DA   6          H5''       DA   6   8.235   7.486  10.570
  443    H4'   DA   6           H4'       DA   6   7.020   7.653   8.551
  444    H3'   DA   6           H3'       DA   6   9.816   7.567   8.488
  445    H2'   DA   6           H2'       DA   6  10.207   9.739   7.890
  446   H2''   DA   6          H2''       DA   6   9.912   9.172   6.260
  447    H1'   DA   6           H1'       DA   6   7.727   9.939   6.178
  448    H8    DA   6           H8        DA   6   9.953  11.616   8.827
  449    H61   DA   6           H61       DA   6   8.007  16.906   6.119
  450    H62   DA   6           H62       DA   6   9.170  16.247   7.262
  451    H2    DA   6           H2        DA   6   5.733  13.629   4.398
  452    H5'   DT   7           H5'       DT   7   7.097   7.651   5.014
  453   H5''   DT   7          H5''       DT   7   7.404   6.536   3.683
  454    H4'   DT   7           H4'       DT   7   6.368   8.608   2.924
  455    H3'   DT   7           H3'       DT   7   8.720   7.521   1.778
  456    H2'   DT   7           H2'       DT   7  10.080   9.289   2.492
  457   H2''   DT   7          H2''       DT   7   9.503  10.035   0.985
  458    H1'   DT   7           H1'       DT   7   7.648  11.084   2.063
  459    H3    DT   7           H3        DT   7   9.636  14.928   3.346
  460    H71   DT   7           H71       DT   7  13.054  12.244   5.409
  461    H72   DT   7           H72       DT   7  11.925  12.366   6.762
  462    H73   DT   7           H73       DT   7  12.130  10.816   5.918
  463    H6    DT   7           H6        DT   7  10.397  10.302   4.424
  464    H5'   DA   8           H5'       DA   8   7.391  10.726  -1.435
  465   H5''   DA   8          H5''       DA   8   7.500   9.862  -2.969
  466    H4'   DA   8           H4'       DA   8   8.729  11.800  -3.339
  467    H3'   DA   8           H3'       DA   8  10.429   9.415  -2.984
  468    H2'   DA   8           H2'       DA   8  11.833  10.423  -1.525
  469   H2''   DA   8          H2''       DA   8  12.410  11.383  -2.914
  470    H1'   DA   8           H1'       DA   8  10.965  13.169  -2.478
  471    H8    DA   8           H8        DA   8  11.548  11.025   0.773
  472    H61   DA   8           H61       DA   8  13.256  16.644   3.038
  473    H62   DA   8           H62       DA   8  13.008  14.981   3.571
  474    H2    DA   8           H2        DA   8  12.170  17.167  -1.008
  475    H5'   DT   9           H5'       DT   9  11.010  12.884  -6.031
  476   H5''   DT   9          H5''       DT   9  11.718  12.223  -7.516
  477    H4'   DT   9           H4'       DT   9  12.297  14.541  -7.369
  478    H3'   DT   9           H3'       DT   9  14.270  12.531  -7.508
  479    H2'   DT   9           H2'       DT   9  15.227  12.850  -5.489
  480   H2''   DT   9          H2''       DT   9  16.043  14.228  -6.213
  481    H1'   DT   9           H1'       DT   9  14.510  15.796  -5.461
  482    H3    DT   9           H3        DT   9  15.328  16.449  -1.071
  483    H71   DT   9           H71       DT   9  14.277  11.803  -0.296
  484    H72   DT   9           H72       DT   9  14.632  11.092  -1.889
  485    H73   DT   9           H73       DT   9  15.948  11.657  -0.839
  486    H6    DT   9           H6        DT   9  14.232  12.527  -3.667
  487    H5'   DG  10           H5'       DG  10  15.131  17.047  -7.979
  488   H5''   DG  10          H5''       DG  10  16.029  17.284  -9.475
  489    H4'   DG  10           H4'       DG  10  16.590  19.077  -8.057
  490    H3'   DG  10           H3'       DG  10  18.583  17.412  -9.073
  491    H2'   DG  10           H2'       DG  10  18.975  16.278  -7.085
  492   H2''   DG  10          H2''       DG  10  20.137  17.585  -6.828
  493    H1'   DG  10           H1'       DG  10  18.620  18.870  -5.537
  494    H8    DG  10           H8        DG  10  17.942  15.109  -5.562
  495    H1    DG  10           H1        DG  10  19.042  17.641   0.260
  496    H21   DG  10           H21       DG  10  19.474  20.532  -1.538
  497    H22   DG  10           H22       DG  10  19.567  19.719   0.026
  498    H5'   DC  11           H5'       DC  11  19.813  21.390  -6.762
  499   H5''   DC  11          H5''       DC  11  20.924  22.234  -7.839
  500    H4'   DC  11           H4'       DC  11  21.411  22.892  -5.619
  501    H3'   DC  11           H3'       DC  11  23.382  21.811  -7.273
  502    H2'   DC  11           H2'       DC  11  23.625  19.778  -6.220
  503   H2''   DC  11          H2''       DC  11  24.701  20.656  -5.135
  504    H1'   DC  11           H1'       DC  11  23.090  21.003  -3.513
  505    H41   DC  11           H41       DC  11  21.169  14.686  -3.197
  506    H42   DC  11           H42       DC  11  21.456  15.290  -1.561
  507    H5    DC  11           H5        DC  11  21.547  16.068  -5.147
  508    H6    DC  11           H6        DC  11  22.110  18.383  -5.868
  509    H5'   DG  12           H5'       DG  12  25.259  23.231  -3.284
  510   H5''   DG  12          H5''       DG  12  26.868  23.939  -3.470
  511    H4'   DG  12           H4'       DG  12  26.950  22.328  -1.709
  512    H3'   DG  12           H3'       DG  12  28.320  21.436  -4.233
  513   HO3'   DG  12          H3T        DG  12  30.157  21.766  -2.860
  514    H2'   DG  12           H2'       DG  12  28.363  19.281  -3.599
  515   H2''   DG  12          H2''       DG  12  28.902  19.684  -1.948
  516    H1'   DG  12           H1'       DG  12  26.773  19.728  -1.102
  517    H8    DG  12           H8        DG  12  26.135  18.700  -4.748
  518    H1    DG  12           H1        DG  12  24.604  14.332  -0.249
  519    H21   DG  12           H21       DG  12  25.933  16.709   1.871
  520    H22   DG  12           H22       DG  12  25.316  15.066   1.709
  521    H5'   DC  13           H5'       DC  13  24.905   7.642   4.778
  522   H5''   DC  13          H5''       DC  13  24.215   7.733   6.393
  523    H4'   DC  13           H4'       DC  13  25.626   9.638   6.013
  524    H3'   DC  13           H3'       DC  13  22.977   9.826   6.839
  525    H2'   DC  13           H2'       DC  13  22.114  10.705   4.871
  526   H2''   DC  13          H2''       DC  13  22.613  12.251   5.591
  527    H1'   DC  13           H1'       DC  13  24.695  12.249   4.510
  528    H41   DC  13           H41       DC  13  22.095  11.703  -1.547
  529    H42   DC  13           H42       DC  13  23.304  12.992  -1.564
  530    H5    DC  13           H5        DC  13  21.569  10.441   0.485
  531    H6    DC  13           H6        DC  13  22.208  10.141   2.817
  532   HO5'   DC  13          H5T        DC  13  22.652   7.061   4.779
  533    H5'   DG  14           H5'       DG  14  25.610  14.027   7.142
  534   H5''   DG  14          H5''       DG  14  25.304  14.439   8.827
  535    H4'   DG  14           H4'       DG  14  25.649  16.475   7.784
  536    H3'   DG  14           H3'       DG  14  23.186  16.051   8.992
  537    H2'   DG  14           H2'       DG  14  21.960  15.705   7.034
  538   H2''   DG  14          H2''       DG  14  21.782  17.440   7.083
  539    H1'   DG  14           H1'       DG  14  23.487  17.836   5.554
  540    H8    DG  14           H8        DG  14  22.007  14.318   5.411
  541    H1    DG  14           H1        DG  14  22.312  17.398  -0.238
  542    H21   DG  14           H21       DG  14  23.780  19.860   1.644
  543    H22   DG  14           H22       DG  14  23.184  19.347   0.060
  544    H5'   DC  15           H5'       DC  15  23.741  20.137   7.016
  545   H5''   DC  15          H5''       DC  15  23.028  21.531   7.831
  546    H4'   DC  15           H4'       DC  15  22.621  21.601   5.439
  547    H3'   DC  15           H3'       DC  15  20.254  21.277   7.231
  548    H2'   DC  15           H2'       DC  15  18.976  20.352   5.637
  549   H2''   DC  15          H2''       DC  15  19.343  21.651   4.483
  550    H1'   DC  15           H1'       DC  15  21.085  20.568   3.515
  551    H41   DC  15           H41       DC  15  18.339  14.583   3.151
  552    H42   DC  15           H42       DC  15  18.397  15.336   1.549
  553    H5    DC  15           H5        DC  15  18.999  15.858   5.162
  554    H6    DC  15           H6        DC  15  19.992  18.006   5.894
  555    H5'   DA  16           H5'       DA  16  20.448  23.777   3.584
  556   H5''   DA  16          H5''       DA  16  19.877  25.432   3.769
  557    H4'   DA  16           H4'       DA  16  19.351  24.757   1.578
  558    H3'   DA  16           H3'       DA  16  17.267  25.511   3.354
  559    H2'   DA  16           H2'       DA  16  16.410  23.377   3.528
  560   H2''   DA  16          H2''       DA  16  15.461  23.878   2.129
  561    H1'   DA  16           H1'       DA  16  17.027  22.935   0.569
  562    H8    DA  16           H8        DA  16  17.082  21.347   4.036
  563    H61   DA  16           H61       DA  16  15.588  16.080   0.995
  564    H62   DA  16           H62       DA  16  16.100  16.701   2.557
  565    H2    DA  16           H2        DA  16  15.394  19.337  -1.839
  566    H5'   DT  17           H5'       DT  17  15.907  24.907  -1.002
  567   H5''   DT  17          H5''       DT  17  14.860  26.209  -1.565
  568    H4'   DT  17           H4'       DT  17  14.006  24.149  -2.392
  569    H3'   DT  17           H3'       DT  17  12.383  25.758  -0.628
  570    H2'   DT  17           H2'       DT  17  12.065  24.081   0.897
  571   H2''   DT  17          H2''       DT  17  10.856  23.454  -0.233
  572    H1'   DT  17           H1'       DT  17  12.433  22.053  -1.352
  573    H3    DT  17           H3        DT  17  12.785  18.253   1.084
  574    H71   DT  17           H71       DT  17  13.611  22.477   4.404
  575    H72   DT  17           H72       DT  17  12.656  21.094   4.993
  576    H73   DT  17           H73       DT  17  14.400  20.916   4.746
  577    H6    DT  17           H6        DT  17  13.268  22.906   2.199
  578    H5'   DA  18           H5'       DA  18  10.468  22.493  -2.952
  579   H5''   DA  18          H5''       DA  18   9.133  23.070  -3.951
  580    H4'   DA  18           H4'       DA  18   8.438  20.976  -3.276
  581    H3'   DA  18           H3'       DA  18   7.009  23.137  -1.898
  582    H2'   DA  18           H2'       DA  18   7.466  22.331   0.156
  583   H2''   DA  18          H2''       DA  18   6.176  21.162  -0.196
  584    H1'   DA  18           H1'       DA  18   7.696  19.529  -0.957
  585    H8    DA  18           H8        DA  18   9.032  21.936   1.727
  586    H61   DA  18           H61       DA  18  10.709  16.511   4.481
  587    H62   DA  18           H62       DA  18  10.612  18.241   4.817
  588    H2    DA  18           H2        DA  18   9.377  15.633   0.540
  589    H5'   DT  19           H5'       DT  19   5.717  18.841  -2.410
  590   H5''   DT  19          H5''       DT  19   4.179  18.842  -3.282
  591    H4'   DT  19           H4'       DT  19   3.861  17.053  -1.805
  592    H3'   DT  19           H3'       DT  19   2.353  19.403  -1.131
  593    H2'   DT  19           H2'       DT  19   3.693  19.941   0.658
  594   H2''   DT  19          H2''       DT  19   2.497  18.915   1.496
  595    H1'   DT  19           H1'       DT  19   3.823  16.907   1.084
  596    H3    DT  19           H3        DT  19   6.695  16.425   4.483
  597    H71   DT  19           H71       DT  19   6.480  21.709   3.109
  598    H72   DT  19           H72       DT  19   6.000  21.298   4.775
  599    H73   DT  19           H73       DT  19   7.681  21.119   4.281
  600    H6    DT  19           H6        DT  19   5.396  20.163   1.740
  601    H5'   DA  20           H5'       DA  20  -1.500  15.694  -0.204
  602   H5''   DA  20          H5''       DA  20  -0.170  16.413   0.692
  603    H4'   DA  20           H4'       DA  20  -0.145  13.482  -0.111
  604    H3'   DA  20           H3'       DA  20  -2.041  14.664   1.526
  605    H2'   DA  20           H2'       DA  20  -0.593  15.677   2.982
  606   H2''   DA  20          H2''       DA  20  -0.730  14.150   3.867
  607    H1'   DA  20           H1'       DA  20   1.280  13.281   3.019
  608    H8    DA  20           H8        DA  20   1.526  17.049   2.118
  609    H61   DA  20           H61       DA  20   4.921  17.578   7.295
  610    H62   DA  20           H62       DA  20   4.187  18.491   5.973
  611    H2    DA  20           H2        DA  20   3.698  13.447   6.978
  612    H5'   DT  21           H5'       DT  21  -0.384  11.368   3.977
  613   H5''   DT  21          H5''       DT  21  -1.671  10.168   4.060
  614    H4'   DT  21           H4'       DT  21  -0.611   9.961   6.105
  615    H3'   DT  21           H3'       DT  21  -3.244  10.812   6.152
  616    H2'   DT  21           H2'       DT  21  -2.868  13.033   6.660
  617   H2''   DT  21          H2''       DT  21  -2.880  12.419   8.328
  618    H1'   DT  21           H1'       DT  21  -0.584  12.222   8.465
  619    H3    DT  21           H3        DT  21   1.679  16.076   8.846
  620    H71   DT  21           H71       DT  21  -0.339  17.511   4.678
  621    H72   DT  21           H72       DT  21  -1.911  16.676   4.773
  622    H73   DT  21           H73       DT  21  -1.539  18.029   5.864
  623    H6    DT  21           H6        DT  21  -1.741  14.592   5.775
  624    H5'   DG  22           H5'       DG  22  -1.458  10.080  10.395
  625   H5''   DG  22          H5''       DG  22  -2.639   9.279  11.446
  626    H4'   DG  22           H4'       DG  22  -1.630  10.972  12.719
  627    H3'   DG  22           H3'       DG  22  -4.455  11.263  12.145
  628    H2'   DG  22           H2'       DG  22  -4.154  13.302  11.106
  629   H2''   DG  22          H2''       DG  22  -4.148  13.930  12.774
  630    H1'   DG  22           H1'       DG  22  -1.755  13.729  12.935
  631    H8    DG  22           H8        DG  22  -3.146  14.512   9.441
  632    H1    DG  22           H1        DG  22   0.883  18.887  11.956
  633    H21   DG  22           H21       DG  22   0.970  16.646  14.573
  634    H22   DG  22           H22       DG  22   1.503  18.202  13.932
  635    H5'   DC  23           H5'       DC  23  -2.091  12.828  15.908
  636   H5''   DC  23          H5''       DC  23  -3.069  12.374  17.303
  637    H4'   DC  23           H4'       DC  23  -1.675  14.161  17.960
  638    H3'   DC  23           H3'       DC  23  -4.449  14.346  18.193
  639    H2'   DC  23           H2'       DC  23  -4.830  15.899  16.537
  640   H2''   DC  23          H2''       DC  23  -4.413  17.080  17.759
  641    H1'   DC  23           H1'       DC  23  -2.209  17.303  17.084
  642    H41   DC  23           H41       DC  23  -3.990  18.324  10.790
  643    H42   DC  23           H42       DC  23  -2.937  19.644  11.317
  644    H5    DC  23           H5        DC  23  -4.574  16.482  12.271
  645    H6    DC  23           H6        DC  23  -4.183  15.566  14.550
  646    H5'   DG  24           H5'       DG  24  -2.520  18.042  20.115
  647   H5''   DG  24          H5''       DG  24  -3.333  18.574  21.594
  648    H4'   DG  24           H4'       DG  24  -3.065  20.481  20.203
  649    H3'   DG  24           H3'       DG  24  -5.914  19.469  20.163
  650   HO3'   DG  24          H3T        DG  24  -5.262  20.614  22.057
  651    H2'   DG  24           H2'       DG  24  -6.442  20.718  18.386
  652   H2''   DG  24          H2''       DG  24  -5.580  22.149  19.005
  653    H1'   DG  24           H1'       DG  24  -3.635  21.639  17.921
  654    H8    DG  24           H8        DG  24  -5.933  18.824  16.678
  655    H1    DG  24           H1        DG  24  -4.094  23.200  12.297
  656    H21   DG  24           H21       DG  24  -2.452  24.550  15.020
  657    H22   DG  24           H22       DG  24  -2.896  24.743  13.323