*HEADER    TRANSFERASE                             01-JUN-12   2LTU              
*TITLE     SOLUTION STRUCTURE OF AUTOINHIBITORY DOMAIN OF HUMAN AMP-ACTIVATED    
*TITLE    2 PROTEIN KINASE CATALYTIC SUBUNIT                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2; 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: AMPK SUBUNIT ALPHA-2;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX                                      
*KEYWDS    AMPK, AID, TRANSFERASE                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.XIA, J.HU                                                           
*REVDAT   1   12-JUN-13 2LTU    0                                                


# 943 atoms read from pdb file aid_new.pdb.
# 8 ALA PHI:  (7 ASP C)-(8 ALA N)-(8 ALA CA)-(8 ALA C) -104.0 -44.0
 &rst     iat =   100,   102,   104,   110,
   r1 = -105.0, r2 = -104.0, r3 = -44.0, r4 = -43.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 8 ALA PSI:  (8 ALA N)-(8 ALA CA)-(8 ALA C)-(9 ASN N) -59.0   1.0
 &rst     iat =   102,   104,   110,   112,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end

# 11 ILE PHI:  (10 VAL C)-(11 ILE N)-(11 ILE CA)-(11 ILE C) -147.0 -67.0
 &rst     iat =   140,   142,   144,   159,
   r1 = -148.0, r2 = -147.0, r3 = -67.0, r4 = -66.0,
 &end

# 11 ILE PSI:  (11 ILE N)-(11 ILE CA)-(11 ILE C)-(12 ASP N)  97.0 177.0
 &rst     iat =   142,   144,   159,   161,
   r1 =  96.0, r2 =  97.0, r3 = 177.0, r4 = 178.0,
 &end

# 12 ASP PHI:  (11 ILE C)-(12 ASP N)-(12 ASP CA)-(12 ASP C) -146.0 -86.0
 &rst     iat =   159,   161,   163,   171,
   r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
 &end

# 12 ASP PSI:  (12 ASP N)-(12 ASP CA)-(12 ASP C)-(13 ASP N)  93.0 153.0
 &rst     iat =   161,   163,   171,   173,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end

# 13 ASP PHI:  (12 ASP C)-(13 ASP N)-(13 ASP CA)-(13 ASP C) -87.8 -27.8
 &rst     iat =   171,   173,   175,   183,
   r1 = -88.8, r2 = -87.8, r3 = -27.8, r4 = -26.8,
 &end

# 13 ASP PSI:  (13 ASP N)-(13 ASP CA)-(13 ASP C)-(14 GLU N) -66.7  -6.7
 &rst     iat =   173,   175,   183,   185,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end

# 14 GLU PHI:  (13 ASP C)-(14 GLU N)-(14 GLU CA)-(14 GLU C) -88.0 -28.0
 &rst     iat =   183,   185,   187,   198,
   r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0,
 &end

# 14 GLU PSI:  (14 GLU N)-(14 GLU CA)-(14 GLU C)-(15 ALA N) -74.0 -14.0
 &rst     iat =   185,   187,   198,   200,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 15 ALA PHI:  (14 GLU C)-(15 ALA N)-(15 ALA CA)-(15 ALA C) -95.0 -35.0
 &rst     iat =   198,   200,   202,   208,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 15 ALA PSI:  (15 ALA N)-(15 ALA CA)-(15 ALA C)-(16 VAL N) -71.0 -11.0
 &rst     iat =   200,   202,   208,   210,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 16 VAL PHI:  (15 ALA C)-(16 VAL N)-(16 VAL CA)-(16 VAL C) -92.0 -32.0
 &rst     iat =   208,   210,   212,   224,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 16 VAL PSI:  (16 VAL N)-(16 VAL CA)-(16 VAL C)-(17 LYS N) -73.3 -13.3
 &rst     iat =   210,   212,   224,   226,
   r1 = -74.3, r2 = -73.3, r3 = -13.3, r4 = -12.3,
 &end

# 17 LYS PHI:  (16 VAL C)-(17 LYS N)-(17 LYS CA)-(17 LYS C) -91.2 -31.2
 &rst     iat =   224,   226,   228,   246,
   r1 = -92.2, r2 = -91.2, r3 = -31.2, r4 = -30.2,
 &end

# 17 LYS PSI:  (17 LYS N)-(17 LYS CA)-(17 LYS C)-(18 GLU N) -70.0 -10.0
 &rst     iat =   226,   228,   246,   248,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 18 GLU PHI:  (17 LYS C)-(18 GLU N)-(18 GLU CA)-(18 GLU C) -95.1 -35.1
 &rst     iat =   246,   248,   250,   261,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 18 GLU PSI:  (18 GLU N)-(18 GLU CA)-(18 GLU C)-(19 VAL N) -70.3 -10.3
 &rst     iat =   248,   250,   261,   263,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end

# 19 VAL PHI:  (18 GLU C)-(19 VAL N)-(19 VAL CA)-(19 VAL C) -95.7 -35.7
 &rst     iat =   261,   263,   265,   277,
   r1 = -96.7, r2 = -95.7, r3 = -35.7, r4 = -34.7,
 &end

# 19 VAL PSI:  (19 VAL N)-(19 VAL CA)-(19 VAL C)-(20 CYS N) -69.8  -9.8
 &rst     iat =   263,   265,   277,   279,
   r1 = -70.8, r2 = -69.8, r3 =  -9.8, r4 =  -8.8,
 &end

# 20 CYS PHI:  (19 VAL C)-(20 CYS N)-(20 CYS CA)-(20 CYS C) -95.1 -35.1
 &rst     iat =   277,   279,   281,   288,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 20 CYS PSI:  (20 CYS N)-(20 CYS CA)-(20 CYS C)-(21 GLU N) -69.3  -9.3
 &rst     iat =   279,   281,   288,   290,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 21 GLU PHI:  (20 CYS C)-(21 GLU N)-(21 GLU CA)-(21 GLU C) -93.0 -33.0
 &rst     iat =   288,   290,   292,   303,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 21 GLU PSI:  (21 GLU N)-(21 GLU CA)-(21 GLU C)-(22 LYS N) -72.0 -12.0
 &rst     iat =   290,   292,   303,   305,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 22 LYS PHI:  (21 GLU C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -94.6 -34.6
 &rst     iat =   303,   305,   307,   325,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end

# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 PHE N) -72.3 -12.4
 &rst     iat =   305,   307,   325,   327,
   r1 = -73.3, r2 = -72.3, r3 = -12.4, r4 = -11.4,
 &end

# 23 PHE PHI:  (22 LYS C)-(23 PHE N)-(23 PHE CA)-(23 PHE C) -108.9 -48.9
 &rst     iat =   325,   327,   329,   345,
   r1 = -109.9, r2 = -108.9, r3 = -48.9, r4 = -47.9,
 &end

# 23 PHE PSI:  (23 PHE N)-(23 PHE CA)-(23 PHE C)-(24 GLU N) -50.6   9.4
 &rst     iat =   327,   329,   345,   347,
   r1 = -51.6, r2 = -50.6, r3 =   9.4, r4 =  10.4,
 &end

# 25 CYS PHI:  (24 GLU C)-(25 CYS N)-(25 CYS CA)-(25 CYS C) -163.5 -103.5
 &rst     iat =   360,   362,   364,   371,
   r1 = -164.5, r2 = -163.5, r3 = -103.5, r4 = -102.5,
 &end

# 25 CYS PSI:  (25 CYS N)-(25 CYS CA)-(25 CYS C)-(26 THR N) 133.2 213.2
 &rst     iat =   362,   364,   371,   373,
   r1 = 132.2, r2 = 133.2, r3 = 213.2, r4 = 214.2,
 &end

# 26 THR PHI:  (25 CYS C)-(26 THR N)-(26 THR CA)-(26 THR C) -148.0 -68.0
 &rst     iat =   371,   373,   375,   385,
   r1 = -149.0, r2 = -148.0, r3 = -68.0, r4 = -67.0,
 &end

# 26 THR PSI:  (26 THR N)-(26 THR CA)-(26 THR C)-(27 GLU N) 131.0 191.0
 &rst     iat =   373,   375,   385,   387,
   r1 = 130.0, r2 = 131.0, r3 = 191.0, r4 = 192.0,
 &end

# 27 GLU PHI:  (26 THR C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) -91.0 -31.0
 &rst     iat =   385,   387,   389,   400,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end

# 27 GLU PSI:  (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 SER N) -74.0 -14.0
 &rst     iat =   387,   389,   400,   402,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 28 SER PHI:  (27 GLU C)-(28 SER N)-(28 SER CA)-(28 SER C) -92.9 -32.9
 &rst     iat =   400,   402,   404,   411,
   r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9,
 &end

# 28 SER PSI:  (28 SER N)-(28 SER CA)-(28 SER C)-(29 GLU N) -69.2  -9.2
 &rst     iat =   402,   404,   411,   413,
   r1 = -70.2, r2 = -69.2, r3 =  -9.2, r4 =  -8.2,
 &end

# 29 GLU PHI:  (28 SER C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) -95.5 -35.5
 &rst     iat =   411,   413,   415,   426,
   r1 = -96.5, r2 = -95.5, r3 = -35.5, r4 = -34.5,
 &end

# 29 GLU PSI:  (29 GLU N)-(29 GLU CA)-(29 GLU C)-(30 VAL N) -74.2 -14.2
 &rst     iat =   413,   415,   426,   428,
   r1 = -75.2, r2 = -74.2, r3 = -14.2, r4 = -13.2,
 &end

# 30 VAL PHI:  (29 GLU C)-(30 VAL N)-(30 VAL CA)-(30 VAL C) -92.2 -32.2
 &rst     iat =   426,   428,   430,   442,
   r1 = -93.2, r2 = -92.2, r3 = -32.2, r4 = -31.2,
 &end

# 30 VAL PSI:  (30 VAL N)-(30 VAL CA)-(30 VAL C)-(31 MET N) -71.1 -11.1
 &rst     iat =   428,   430,   442,   444,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end

# 31 MET PHI:  (30 VAL C)-(31 MET N)-(31 MET CA)-(31 MET C) -91.8 -31.9
 &rst     iat =   442,   444,   446,   459,
   r1 = -92.8, r2 = -91.8, r3 = -31.9, r4 = -30.9,
 &end

# 31 MET PSI:  (31 MET N)-(31 MET CA)-(31 MET C)-(32 ASN N) -73.7 -13.7
 &rst     iat =   444,   446,   459,   461,
   r1 = -74.7, r2 = -73.7, r3 = -13.7, r4 = -12.7,
 &end

# 32 ASN PHI:  (31 MET C)-(32 ASN N)-(32 ASN CA)-(32 ASN C) -95.0 -35.0
 &rst     iat =   459,   461,   463,   473,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 32 ASN PSI:  (32 ASN N)-(32 ASN CA)-(32 ASN C)-(33 SER N) -72.0 -12.0
 &rst     iat =   461,   463,   473,   475,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 33 SER PHI:  (32 ASN C)-(33 SER N)-(33 SER CA)-(33 SER C) -95.5 -35.5
 &rst     iat =   473,   475,   477,   484,
   r1 = -96.5, r2 = -95.5, r3 = -35.5, r4 = -34.5,
 &end

# 33 SER PSI:  (33 SER N)-(33 SER CA)-(33 SER C)-(34 LEU N) -72.8 -12.8
 &rst     iat =   475,   477,   484,   486,
   r1 = -73.8, r2 = -72.8, r3 = -12.8, r4 = -11.8,
 &end

# 34 LEU PHI:  (33 SER C)-(34 LEU N)-(34 LEU CA)-(34 LEU C) -97.0 -37.0
 &rst     iat =   484,   486,   488,   503,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 34 LEU PSI:  (34 LEU N)-(34 LEU CA)-(34 LEU C)-(35 TYR N) -66.7  -6.7
 &rst     iat =   486,   488,   503,   505,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end

# 35 TYR PHI:  (34 LEU C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -110.8 -50.8
 &rst     iat =   503,   505,   507,   524,
   r1 = -111.8, r2 = -110.8, r3 = -50.8, r4 = -49.8,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 SER N) -55.6   4.4
 &rst     iat =   505,   507,   524,   526,
   r1 = -56.6, r2 = -55.6, r3 =   4.4, r4 =   5.4,
 &end

# 36 SER PHI:  (35 TYR C)-(36 SER N)-(36 SER CA)-(36 SER C) -148.2 -38.2
 &rst     iat =   524,   526,   528,   535,
   r1 = -149.2, r2 = -148.2, r3 = -38.2, r4 = -37.2,
 &end

# 36 SER PSI:  (36 SER N)-(36 SER CA)-(36 SER C)-(37 GLY N) -65.8  -5.8
 &rst     iat =   526,   528,   535,   537,
   r1 = -66.8, r2 = -65.8, r3 =  -5.8, r4 =  -4.8,
 &end

# 38 ASP PHI:  (37 GLY C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -146.0 -66.0
 &rst     iat =   542,   544,   546,   554,
   r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0,
 &end

# 38 ASP PSI:  (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 PRO N) 108.6 168.6
 &rst     iat =   544,   546,   554,   556,
   r1 = 107.6, r2 = 108.6, r3 = 168.6, r4 = 169.6,
 &end

# 41 ASP PHI:  (40 GLN C)-(41 ASP N)-(41 ASP CA)-(41 ASP C) -112.6 -52.6
 &rst     iat =   585,   587,   589,   597,
   r1 = -113.6, r2 = -112.6, r3 = -52.6, r4 = -51.6,
 &end

# 41 ASP PSI:  (41 ASP N)-(41 ASP CA)-(41 ASP C)-(42 GLN N)  95.6 155.6
 &rst     iat =   587,   589,   597,   599,
   r1 =  94.6, r2 =  95.6, r3 = 155.6, r4 = 156.6,
 &end

# 42 GLN PHI:  (41 ASP C)-(42 GLN N)-(42 GLN CA)-(42 GLN C) -87.0 -27.0
 &rst     iat =   597,   599,   601,   614,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 42 GLN PSI:  (42 GLN N)-(42 GLN CA)-(42 GLN C)-(43 LEU N) -77.0 -17.0
 &rst     iat =   599,   601,   614,   616,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 43 LEU PHI:  (42 GLN C)-(43 LEU N)-(43 LEU CA)-(43 LEU C) -90.2 -30.2
 &rst     iat =   614,   616,   618,   633,
   r1 = -91.2, r2 = -90.2, r3 = -30.2, r4 = -29.2,
 &end

# 43 LEU PSI:  (43 LEU N)-(43 LEU CA)-(43 LEU C)-(44 ALA N) -73.8 -13.8
 &rst     iat =   616,   618,   633,   635,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end

# 44 ALA PHI:  (43 LEU C)-(44 ALA N)-(44 ALA CA)-(44 ALA C) -95.3 -35.3
 &rst     iat =   633,   635,   637,   643,
   r1 = -96.3, r2 = -95.3, r3 = -35.3, r4 = -34.3,
 &end

# 44 ALA PSI:  (44 ALA N)-(44 ALA CA)-(44 ALA C)-(45 VAL N) -70.9 -10.9
 &rst     iat =   635,   637,   643,   645,
   r1 = -71.9, r2 = -70.9, r3 = -10.9, r4 =  -9.9,
 &end

# 45 VAL PHI:  (44 ALA C)-(45 VAL N)-(45 VAL CA)-(45 VAL C) -92.8 -32.8
 &rst     iat =   643,   645,   647,   659,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 45 VAL PSI:  (45 VAL N)-(45 VAL CA)-(45 VAL C)-(46 ALA N) -75.3 -15.4
 &rst     iat =   645,   647,   659,   661,
   r1 = -76.3, r2 = -75.3, r3 = -15.4, r4 = -14.4,
 &end

# 46 ALA PHI:  (45 VAL C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -93.5 -33.5
 &rst     iat =   659,   661,   663,   669,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 TYR N) -70.0 -10.0
 &rst     iat =   661,   663,   669,   671,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 47 TYR PHI:  (46 ALA C)-(47 TYR N)-(47 TYR CA)-(47 TYR C) -93.8 -33.8
 &rst     iat =   669,   671,   673,   690,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
 &end

# 47 TYR PSI:  (47 TYR N)-(47 TYR CA)-(47 TYR C)-(48 HIS N) -74.3 -14.3
 &rst     iat =   671,   673,   690,   692,
   r1 = -75.3, r2 = -74.3, r3 = -14.3, r4 = -13.3,
 &end

# 48 HIS PHI:  (47 TYR C)-(48 HIS N)-(48 HIS CA)-(48 HIS C) -92.7 -32.7
 &rst     iat =   690,   692,   694,   707,
   r1 = -93.7, r2 = -92.7, r3 = -32.7, r4 = -31.7,
 &end

# 48 HIS PSI:  (48 HIS N)-(48 HIS CA)-(48 HIS C)-(49 LEU N) -73.3 -13.4
 &rst     iat =   692,   694,   707,   709,
   r1 = -74.3, r2 = -73.3, r3 = -13.4, r4 = -12.4,
 &end

# 49 LEU PHI:  (48 HIS C)-(49 LEU N)-(49 LEU CA)-(49 LEU C) -96.0 -36.0
 &rst     iat =   707,   709,   711,   726,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 49 LEU PSI:  (49 LEU N)-(49 LEU CA)-(49 LEU C)-(50 ILE N) -76.0 -16.0
 &rst     iat =   709,   711,   726,   728,
   r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
 &end

# 50 ILE PHI:  (49 LEU C)-(50 ILE N)-(50 ILE CA)-(50 ILE C) -93.0 -33.0
 &rst     iat =   726,   728,   730,   745,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 50 ILE PSI:  (50 ILE N)-(50 ILE CA)-(50 ILE C)-(51 ILE N) -74.0 -14.0
 &rst     iat =   728,   730,   745,   747,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 51 ILE PHI:  (50 ILE C)-(51 ILE N)-(51 ILE CA)-(51 ILE C) -95.8 -35.8
 &rst     iat =   745,   747,   749,   764,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end

# 51 ILE PSI:  (51 ILE N)-(51 ILE CA)-(51 ILE C)-(52 ASP N) -71.0 -11.0
 &rst     iat =   747,   749,   764,   766,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 52 ASP PHI:  (51 ILE C)-(52 ASP N)-(52 ASP CA)-(52 ASP C) -92.0 -32.0
 &rst     iat =   764,   766,   768,   776,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 52 ASP PSI:  (52 ASP N)-(52 ASP CA)-(52 ASP C)-(53 ASN N) -71.0 -11.0
 &rst     iat =   766,   768,   776,   778,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 53 ASN PHI:  (52 ASP C)-(53 ASN N)-(53 ASN CA)-(53 ASN C) -94.2 -34.2
 &rst     iat =   776,   778,   780,   790,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 53 ASN PSI:  (53 ASN N)-(53 ASN CA)-(53 ASN C)-(54 ARG N) -69.3  -9.3
 &rst     iat =   778,   780,   790,   792,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 54 ARG PHI:  (53 ASN C)-(54 ARG N)-(54 ARG CA)-(54 ARG C) -95.0 -35.0
 &rst     iat =   790,   792,   794,   814,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 54 ARG PSI:  (54 ARG N)-(54 ARG CA)-(54 ARG C)-(55 ARG N) -69.1  -9.1
 &rst     iat =   792,   794,   814,   816,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 55 ARG PHI:  (54 ARG C)-(55 ARG N)-(55 ARG CA)-(55 ARG C) -100.1 -40.1
 &rst     iat =   814,   816,   818,   838,
   r1 = -101.1, r2 = -100.1, r3 = -40.1, r4 = -39.1,
 &end

# 55 ARG PSI:  (55 ARG N)-(55 ARG CA)-(55 ARG C)-(56 ILE N) -73.1 -13.1
 &rst     iat =   816,   818,   838,   840,
   r1 = -74.1, r2 = -73.1, r3 = -13.1, r4 = -12.1,
 &end

#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=20,14,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,11,15,16, &end
#
#  chirality for residue 2 atoms:  CG N HD2 HD3
 &rst iat=14,10,12,13, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,22,21,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=26,31,29,30, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=24,39,27,28, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=43,48,46,47, &end
#
#  chirality for residue 4 atoms:  CB SD HG2 HG3
 &rst iat=45,51,49,50, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,56,44,45, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=60,65,63,64, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=58,67,61,62, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=71,76,74,75, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=69,88,72,73, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=92,97,95,96, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=90,100,93,94, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=102,110,105,106, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=114,119,117,118, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=112,124,115,116, &end
#
#  chirality for residue 10 atoms:  CA CG1 CG2 HB
 &rst iat=128,132,136,131, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=126,140,129,130, &end
#
#  chirality for residue 11 atoms:  CA CG2 CG1 HB
 &rst iat=144,148,152,147, &end
#
#  chirality for residue 11 atoms:  CB CD1 HG12 HG13
 &rst iat=146,155,153,154, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=142,159,145,146, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=163,168,166,167, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=161,171,164,165, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=173,183,176,177, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=189,195,193,194, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=185,198,188,189, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=200,208,203,204, &end
#
#  chirality for residue 16 atoms:  CA CG1 CG2 HB
 &rst iat=212,216,220,215, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=210,224,213,214, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=230,236,234,235, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=236,242,240,241, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=233,239,237,238, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=226,246,229,230, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=250,255,253,254, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=252,258,256,257, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=248,261,251,252, &end
#
#  chirality for residue 19 atoms:  CA CG1 CG2 HB
 &rst iat=265,269,273,268, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=263,277,266,267, &end
#
#  chirality for residue 20 atoms:  CA SG HB2 HB3
 &rst iat=281,286,284,285, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=279,288,282,283, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=292,297,295,296, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=294,300,298,299, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=290,303,293,294, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=309,315,313,314, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=315,321,319,320, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=312,318,316,317, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=305,325,308,309, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=327,345,330,331, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=349,354,352,353, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=351,357,355,356, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=347,360,350,351, &end
#
#  chirality for residue 25 atoms:  CA SG HB2 HB3
 &rst iat=364,369,367,368, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=362,371,365,366, &end
#
#  chirality for residue 26 atoms:  CA CG2 OG1 HB
 &rst iat=375,379,383,378, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=373,385,376,377, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=389,394,392,393, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=391,397,395,396, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=387,400,390,391, &end
#
#  chirality for residue 28 atoms:  CA OG HB2 HB3
 &rst iat=404,409,407,408, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=402,411,405,406, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=415,420,418,419, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=417,423,421,422, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=413,426,416,417, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=430,434,438,433, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=428,442,431,432, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=446,451,449,450, &end
#
#  chirality for residue 31 atoms:  CB SD HG2 HG3
 &rst iat=448,454,452,453, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=444,459,447,448, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=461,473,464,465, &end
#
#  chirality for residue 33 atoms:  CA OG HB2 HB3
 &rst iat=477,482,480,481, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=475,484,478,479, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 34 atoms:  CB CD1 CD2 HG
 &rst iat=490,495,499,494, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=486,503,489,490, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=507,512,510,511, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=505,524,508,509, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=528,533,531,532, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=526,535,529,530, &end
#
#  chirality for residue 37 atoms:  N C HA2 HA3
 &rst iat=537,542,540,541, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=546,551,549,550, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=544,554,547,548, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=566,560,564,565, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=563,557,561,562, &end
#
#  chirality for residue 39 atoms:  CG N HD2 HD3
 &rst iat=560,556,558,559, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=556,568,567,563, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=572,577,575,576, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=574,580,578,579, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=570,585,573,574, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=589,594,592,593, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=587,597,590,591, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=601,606,604,605, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=603,609,607,608, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=599,614,602,603, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=618,623,621,622, &end
#
#  chirality for residue 43 atoms:  CB CD1 CD2 HG
 &rst iat=620,625,629,624, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=616,633,619,620, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=635,643,638,639, &end
#
#  chirality for residue 45 atoms:  CA CG1 CG2 HB
 &rst iat=647,651,655,650, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=645,659,648,649, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=661,669,664,665, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=673,678,676,677, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=671,690,674,675, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=694,699,697,698, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=692,707,695,696, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=711,716,714,715, &end
#
#  chirality for residue 49 atoms:  CB CD1 CD2 HG
 &rst iat=713,718,722,717, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=709,726,712,713, &end
#
#  chirality for residue 50 atoms:  CA CG2 CG1 HB
 &rst iat=730,734,738,733, &end
#
#  chirality for residue 50 atoms:  CB CD1 HG12 HG13
 &rst iat=732,741,739,740, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=728,745,731,732, &end
#
#  chirality for residue 51 atoms:  CA CG2 CG1 HB
 &rst iat=749,753,757,752, &end
#
#  chirality for residue 51 atoms:  CB CD1 HG12 HG13
 &rst iat=751,760,758,759, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=747,764,750,751, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=768,773,771,772, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=766,776,769,770, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=780,785,783,784, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=778,790,781,782, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=794,799,797,798, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=796,802,800,801, &end
#
#  chirality for residue 54 atoms:  CG NE HD2 HD3
 &rst iat=799,805,803,804, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=792,814,795,796, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=818,823,821,822, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=820,826,824,825, &end
#
#  chirality for residue 55 atoms:  CG NE HD2 HD3
 &rst iat=823,829,827,828, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=816,838,819,820, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=842,846,850,845, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=844,853,851,852, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=840,857,843,844, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=861,866,864,865, &end
#
#  chirality for residue 57 atoms:  CB SD HG2 HG3
 &rst iat=863,869,867,868, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=859,874,862,863, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=878,883,881,882, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=876,888,879,880, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=892,897,895,896, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=894,900,898,899, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=890,905,893,894, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=907,915,910,911, &end
#
#  chirality for residue 61 atoms:  CA OG HB2 HB3
 &rst iat=919,924,922,923, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=917,926,920,921, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=930,935,933,934, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=932,938,936,937, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=928,941,931,932, &end
#
#  trans-omega constraint for residue 2
 &rst iat=20,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=26,24,22,20, &end
#
#  trans-omega constraint for residue 4
 &rst iat=43,41,39,26, &end
#
#  trans-omega constraint for residue 5
 &rst iat=60,58,56,43, &end
#
#  trans-omega constraint for residue 6
 &rst iat=71,69,67,60, &end
#
#  trans-omega constraint for residue 7
 &rst iat=92,90,88,71, &end
#
#  trans-omega constraint for residue 8
 &rst iat=104,102,100,92, &end
#
#  trans-omega constraint for residue 9
 &rst iat=114,112,110,104, &end
#
#  trans-omega constraint for residue 10
 &rst iat=128,126,124,114, &end
#
#  trans-omega constraint for residue 11
 &rst iat=144,142,140,128, &end
#
#  trans-omega constraint for residue 12
 &rst iat=163,161,159,144, &end
#
#  trans-omega constraint for residue 13
 &rst iat=175,173,171,163, &end
#
#  trans-omega constraint for residue 14
 &rst iat=187,185,183,175, &end
#
#  trans-omega constraint for residue 15
 &rst iat=202,200,198,187, &end
#
#  trans-omega constraint for residue 16
 &rst iat=212,210,208,202, &end
#
#  trans-omega constraint for residue 17
 &rst iat=228,226,224,212, &end
#
#  trans-omega constraint for residue 18
 &rst iat=250,248,246,228, &end
#
#  trans-omega constraint for residue 19
 &rst iat=265,263,261,250, &end
#
#  trans-omega constraint for residue 20
 &rst iat=281,279,277,265, &end
#
#  trans-omega constraint for residue 21
 &rst iat=292,290,288,281, &end
#
#  trans-omega constraint for residue 22
 &rst iat=307,305,303,292, &end
#
#  trans-omega constraint for residue 23
 &rst iat=329,327,325,307, &end
#
#  trans-omega constraint for residue 24
 &rst iat=349,347,345,329, &end
#
#  trans-omega constraint for residue 25
 &rst iat=364,362,360,349, &end
#
#  trans-omega constraint for residue 26
 &rst iat=375,373,371,364, &end
#
#  trans-omega constraint for residue 27
 &rst iat=389,387,385,375, &end
#
#  trans-omega constraint for residue 28
 &rst iat=404,402,400,389, &end
#
#  trans-omega constraint for residue 29
 &rst iat=415,413,411,404, &end
#
#  trans-omega constraint for residue 30
 &rst iat=430,428,426,415, &end
#
#  trans-omega constraint for residue 31
 &rst iat=446,444,442,430, &end
#
#  trans-omega constraint for residue 32
 &rst iat=463,461,459,446, &end
#
#  trans-omega constraint for residue 33
 &rst iat=477,475,473,463, &end
#
#  trans-omega constraint for residue 34
 &rst iat=488,486,484,477, &end
#
#  trans-omega constraint for residue 35
 &rst iat=507,505,503,488, &end
#
#  trans-omega constraint for residue 36
 &rst iat=528,526,524,507, &end
#
#  trans-omega constraint for residue 37
 &rst iat=539,537,535,528, &end
#
#  trans-omega constraint for residue 38
 &rst iat=546,544,542,539, &end
#
#  trans-omega constraint for residue 39
 &rst iat=566,556,554,546, &end
#
#  trans-omega constraint for residue 40
 &rst iat=572,570,568,566, &end
#
#  trans-omega constraint for residue 41
 &rst iat=589,587,585,572, &end
#
#  trans-omega constraint for residue 42
 &rst iat=601,599,597,589, &end
#
#  trans-omega constraint for residue 43
 &rst iat=618,616,614,601, &end
#
#  trans-omega constraint for residue 44
 &rst iat=637,635,633,618, &end
#
#  trans-omega constraint for residue 45
 &rst iat=647,645,643,637, &end
#
#  trans-omega constraint for residue 46
 &rst iat=663,661,659,647, &end
#
#  trans-omega constraint for residue 47
 &rst iat=673,671,669,663, &end
#
#  trans-omega constraint for residue 48
 &rst iat=694,692,690,673, &end
#
#  trans-omega constraint for residue 49
 &rst iat=711,709,707,694, &end
#
#  trans-omega constraint for residue 50
 &rst iat=730,728,726,711, &end
#
#  trans-omega constraint for residue 51
 &rst iat=749,747,745,730, &end
#
#  trans-omega constraint for residue 52
 &rst iat=768,766,764,749, &end
#
#  trans-omega constraint for residue 53
 &rst iat=780,778,776,768, &end
#
#  trans-omega constraint for residue 54
 &rst iat=794,792,790,780, &end
#
#  trans-omega constraint for residue 55
 &rst iat=818,816,814,794, &end
#
#  trans-omega constraint for residue 56
 &rst iat=842,840,838,818, &end
#
#  trans-omega constraint for residue 57
 &rst iat=861,859,857,842, &end
#
#  trans-omega constraint for residue 58
 &rst iat=878,876,874,861, &end
#
#  trans-omega constraint for residue 59
 &rst iat=892,890,888,878, &end
#
#  trans-omega constraint for residue 60
 &rst iat=909,907,905,892, &end
#
#  trans-omega constraint for residue 61
 &rst iat=919,917,915,909, &end
#
#  trans-omega constraint for residue 62
 &rst iat=930,928,926,919, &end
#
# 12 ASP O 16 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 211, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=1,
 &end
#
# 13 ASP O 17 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 227, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 15 ALA O 19 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 264, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 18 GLU O 22 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 306, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 27 GLU O 31 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 445, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 28 SER O 32 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 462, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 MET O 34 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 487, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 32 ASN O 35 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 506, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 41 ASP O 45 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 646, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 45 VAL O 49 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 710, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 46 ALA O 50 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 729, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 48 HIS O 52 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 767, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 52 ASP O 56 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 841, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 53 ASN O 57 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 860, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#    0 AMB  15-2:0       12 ASP  HN          4.50    (#      0:15  Single Ambig)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 205, 206, 207, 153, 154,
 &end
#
#   11 ILE  HA           12 ASP  HN          2.80    (#      2:15  Unique         2.14, 2.16 A)
 &rst
  ixpk= 2, nxpk= 15, iat= 145, 162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 ASP  HB+          12 ASP  HN          3.50    (#      3:15  Unique         2.41, 2.61 A)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 166, 167,
 &end
#
#   12 ASP  HB-          12 ASP  HN          3.50    (#      4:15  Unique         2.41, 2.61 A)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 166, 167,
 &end
#
#   11 ILE  HB           12 ASP  HN          5.50    (#      5:15  Unique         3.93, 4.11 A)
 &rst
  ixpk= 5, nxpk= 15, iat= 147, 162, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 VAL  MGY          12 ASP  HN          5.50    (#      6:15  Unique         3.43, 5.51 A)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#    0 AMB  15-2:7       12 ASP  HN          7.00    (#      7:15  Single Ambig)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 217, 218, 219, 221, 222, 223, 133, 134, 135, 137,
       138, 139,
 &end
#
#   11 ILE  QG2          12 ASP  HN          3.50    (#      8:15  Unique         2.35, 3.50 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 149, 150, 151,
 &end
#
#   51 ILE  QD1          12 ASP  HN          5.50    (#      9:15  Unique         4.48, 5.14 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 761, 762, 763,
 &end
#
#   13 ASP  HA           13 ASP  HN          3.50    (#     14:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 14, nxpk= 15, iat= 176, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:15      13 ASP  HN          2.80    (#     15:15  Single Ambig)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 178, 179, 178, 179,
 &end
#
#   12 ASP  HB-          13 ASP  HN          5.50    (#     16:15  Unique         4.22, 4.42 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 166, 167,
 &end
#
#   11 ILE  QG2          13 ASP  HN          5.50    (#     17:15  Unique         3.76, 5.20 A)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 149, 150, 151,
 &end
#
#   61 SER  HA           62 GLU  HN          4.50    (#     18:15  Unique         2.14, 2.18 A)
 &rst
  ixpk= 18, nxpk= 15, iat= 920, 929, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 ILE  HA           11 ILE  HN          4.50    (#     21:15  Unique         2.85, 2.92 A)
 &rst
  ixpk= 21, nxpk= 15, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 VAL  HA           11 ILE  HN          2.80    (#     22:15  Unique         2.17, 2.29 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 129, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   10 VAL  HB           11 ILE  HN          4.50    (#     23:15  Unique         2.22, 3.30 A)
 &rst
  ixpk= 23, nxpk= 15, iat= 131, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 ILE  HB           11 ILE  HN          2.80    (#     24:15  Unique         2.50, 2.63 A)
 &rst
  ixpk= 24, nxpk= 15, iat= 147, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 ILE  HG1-         11 ILE  HN          5.50    (#     25:15  Unique         2.04, 2.98 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 153, 154,
 &end
#
#   11 ILE  HG1+         11 ILE  HN          4.50    (#     26:15  Unique         2.04, 2.98 A)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 153, 154,
 &end
#
#   10 VAL  MGY          11 ILE  HN          4.50    (#     27:15  Unique         1.98, 4.15 A)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 133, 134, 135, 137, 138, 139,
 &end
#
#   11 ILE  QG2          11 ILE  HN          4.50    (#     28:15  Unique         4.38, 4.60 A)
 &rst
  ixpk= 28, nxpk= 15, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 149, 150, 151,
 &end
#
#   59 GLN  HA           60 ALA  HN          4.50    (#     32:15  Unique         3.46, 3.52 A)
 &rst
  ixpk= 32, nxpk= 15, iat= 893, 908, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ALA  MB           60 ALA  HN          5.50    (#     33:15  Unique         2.08, 3.03 A)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 912, 913, 914,
 &end
#
#    7 ASP  HA            8 ALA  HN          3.50    (#     36:15  Unique         2.14, 2.43 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  93, 103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 ALA  HA            8 ALA  HN          4.50    (#     37:15  Unique         2.85, 2.91 A)
 &rst
  ixpk= 37, nxpk= 15, iat= 105, 103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ALA  MB            8 ALA  HN          3.50    (#     38:15  Unique         2.11, 2.98 A)
 &rst
  ixpk= 38, nxpk= 15, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 107, 108, 109,
 &end
#
#    9 ASN  HA            8 ALA  HN          5.50    (#     39:15  Unique         4.68, 4.87 A)
 &rst
  ixpk= 39, nxpk= 15, iat= 115, 103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 ASP  HB+           8 ALA  HN          5.50    (#     40:15  Unique         2.21, 3.99 A)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  95,  96,
 &end
#
#    7 ASP  HB-           8 ALA  HN          5.50    (#     41:15  Unique         2.21, 3.99 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 103, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  95,  96,
 &end
#
#   41 ASP  HA           42 GLN  HN          2.80    (#     42:15  Unique         2.24, 2.30 A)
 &rst
  ixpk= 42, nxpk= 15, iat= 590, 600, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 GLN  HA           42 GLN  HN          3.50    (#     43:15  Unique         2.75, 2.75 A)
 &rst
  ixpk= 43, nxpk= 15, iat= 602, 600, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:44      42 GLN  HN          5.50    (#     44:15  Single Ambig)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 600, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 592, 593, 592, 593,
 &end
#
#   42 GLN  HG+          42 GLN  HN          4.50    (#     45:15  Unique         2.31, 3.20 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1, 600, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 607, 608,
 &end
#
#   42 GLN  HG-          42 GLN  HN          5.50    (#     46:15  Unique         2.31, 3.20 A)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1, 600, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 607, 608,
 &end
#
#    0 AMB  15-2:47      42 GLN  HN          2.80    (#     47:15  Single Ambig)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1, 600, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 604, 605, 604, 605,
 &end
#
#   15 ALA  HA           15 ALA  HN          4.50    (#     49:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 49, nxpk= 15, iat= 203, 201, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 GLU  HA           15 ALA  HN          5.50    (#     50:15  Unique         3.48, 3.54 A)
 &rst
  ixpk= 50, nxpk= 15, iat= 188, 201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 GLU  HG+          15 ALA  HN          5.50    (#     52:15  Unique         4.17, 4.53 A)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 193, 194,
 &end
#
#   14 GLU  HB-          15 ALA  HN          3.50    (#     53:15  Unique         2.40, 3.09 A)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 190, 191,
 &end
#
#   15 ALA  MB           15 ALA  HN          2.80    (#     54:15  Unique         2.09, 2.91 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 205, 206, 207,
 &end
#
#   16 VAL  MGY          15 ALA  HN          5.50    (#     55:15  Unique         4.10, 5.87 A)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#    0 AMB  15-2:56      15 ALA  HN          5.50    (#     56:15  Single Ambig)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 754, 755, 756, 735, 736, 737,
 &end
#
#   33 SER  HA           34 LEU  HN          5.50    (#     60:15  Unique         3.40, 3.40 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 478, 487, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:61      34 LEU  HN          2.80    (#     61:15  Single Ambig)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 489, 447,
 &end
#
#   33 SER  HB+          34 LEU  HN          4.50    (#     62:15  Unique         3.21, 3.55 A)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480, 481,
 &end
#
#   34 LEU  HB+          34 LEU  HN          2.80    (#     63:15  Unique         2.64, 3.13 A)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 491, 492,
 &end
#
#   34 LEU  HG           34 LEU  HN          2.80    (#     64:15  Unique         2.02, 2.07 A)
 &rst
  ixpk= 64, nxpk= 15, iat= 494, 487, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 LEU  HB-          34 LEU  HN          4.50    (#     66:15  Unique         2.64, 3.13 A)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 491, 492,
 &end
#
#    0 AMB  15-2:67      34 LEU  HN          5.50    (#     67:15  Single Ambig)
 &rst
  ixpk= 67, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
       631, 632,
 &end
#
#   34 LEU  MDY          34 LEU  HN          4.50    (#     68:15  Unique         2.90, 4.10 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#   34 LEU  MDX          34 LEU  HN          4.50    (#     69:15  Unique         2.90, 4.10 A)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  15-2:70      41 ASP  HN          2.80    (#     70:15  Single Ambig)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 590, 573,
 &end
#
#    0 AMB  15-2:72      41 ASP  HN          2.80    (#     72:15  Single Ambig)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 592, 593, 592, 593,
 &end
#
#    0 AMB  15-2:73      41 ASP  HN          5.50    (#     73:15  Single Ambig)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579, 575, 576,
 &end
#
#   40 GLN  HB-          41 ASP  HN          4.50    (#     74:15  Unique         3.50, 4.32 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 575, 576,
 &end
#
#   44 ALA  MB           41 ASP  HN          5.50    (#     75:15  Unique         1.96, 3.03 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 640, 641, 642,
 &end
#
#   45 VAL  MGY          41 ASP  HN          5.50    (#     76:15  Unique         3.49, 5.66 A)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#    0 AMB  15-2:79       0 AMB  15-1:79     5.50    (#     79:15  Double Ambig)
 &rst
  ixpk= 79, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  61, 464,
 igr2=  91, 487,
 &end
#
#    6 TYR  HB-           7 ASP  HN          5.50    (#     80:15  Unique         3.29, 4.38 A)
 &rst
  ixpk= 80, nxpk= 15, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  74,  75,
 &end
#
#    7 ASP  HB+           7 ASP  HN          4.50    (#     81:15  Unique         2.23, 3.11 A)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  95,  96,
 &end
#
#    0 AMB  15-2:83       7 ASP  HN          2.80    (#     83:15  Single Ambig)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  72,  93,
 &end
#
#    6 TYR  HB+           7 ASP  HN          5.50    (#     84:15  Unique         3.29, 4.38 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  74,  75,
 &end
#
#    7 ASP  HB-           7 ASP  HN          4.50    (#     85:15  Unique         2.23, 3.11 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1,  91, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  95,  96,
 &end
#
#   26 THR  HA           27 GLU  HN          2.80    (#     87:15  Unique         2.25, 2.30 A)
 &rst
  ixpk= 87, nxpk= 15, iat= 376, 388, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 THR  HB           27 GLU  HN          2.80    (#     88:15  Unique         2.54, 2.68 A)
 &rst
  ixpk= 88, nxpk= 15, iat= 378, 388, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 GLU  HA           27 GLU  HN          3.50    (#     89:15  Unique         2.76, 2.78 A)
 &rst
  ixpk= 89, nxpk= 15, iat= 390, 388, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 GLU  HG+          27 GLU  HN          4.50    (#     90:15  Unique         1.97, 2.63 A)
 &rst
  ixpk= 90, nxpk= 15, iat=  -1, 388, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 395, 396,
 &end
#
#   27 GLU  HB+          27 GLU  HN          2.80    (#     91:15  Unique         2.51, 3.08 A)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1, 388, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 392, 393,
 &end
#
#   26 THR  MG2          27 GLU  HN          4.50    (#     92:15  Unique         3.66, 4.70 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 388, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 380, 381, 382,
 &end
#
#   16 VAL  MGX          27 GLU  HN          5.50    (#     93:15  Unique         4.52, 6.75 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1, 388, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#    5 SER  HB-           6 TYR  HN          5.50    (#     95:15  Unique         2.29, 3.90 A)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  63,  64,
 &end
#
#    6 TYR  HB+           6 TYR  HN          5.50    (#     96:15  Unique         2.30, 3.09 A)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  74,  75,
 &end
#
#    6 TYR  HA            6 TYR  HN          5.50    (#    100:15  Unique         2.27, 2.86 A)
 &rst
  ixpk= 100, nxpk= 15, iat=  72,  70, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:101      0 AMB  15-1:101    3.50    (#    101:15  Double Ambig)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  61, 862,
 igr2=  70, 860,
 &end
#
#    6 TYR  HB-           6 TYR  HN          5.50    (#    102:15  Unique         2.30, 3.09 A)
 &rst
  ixpk= 102, nxpk= 15, iat=  -1,  70, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  74,  75,
 &end
#
#   54 ARG  HA           57 MET  HN          7.00    (#    104:15  Unique         4.02, 4.16 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 795, 860, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   56 ILE  HA           57 MET  HN          3.50    (#    105:15  Unique         3.46, 3.48 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 843, 860, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ASP  HB-          57 MET  HN          5.50    (#    106:15  Unique         6.85, 8.01 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 771, 772,
 &end
#
#   57 MET  HB-          57 MET  HN          3.50    (#    107:15  Unique         2.19, 2.70 A)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 860, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 864, 865,
 &end
#
#    0 AMB  15-2:108      0 AMB  15-1:108    4.50    (#    108:15  Double Ambig)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 845,  46,  47,
 igr2= 860,  70,
 &end
#
#    0 AMB  15-2:109      0 AMB  15-1:109    5.50    (#    109:15  Double Ambig)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.21, r4= 9.96,
 igr1= 133, 134, 135, 137, 138, 139, 847, 848, 849, 824,
       825,
 igr2=  70, 860,
 &end
#
#   51 ILE  HG1-         52 ASP  HN          4.50    (#    111:15  Unique         3.82, 4.31 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 758, 759,
 &end
#
#    0 AMB  15-2:112     52 ASP  HN          5.50    (#    112:15  Single Ambig)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 758, 759, 824, 825,
 &end
#
#   29 GLU  HA           29 GLU  HN          3.50    (#    113:15  Unique         2.77, 2.81 A)
 &rst
  ixpk= 113, nxpk= 15, iat= 416, 414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:114     29 GLU  HN          4.50    (#    114:15  Single Ambig)
 &rst
  ixpk= 114, nxpk= 15, iat=  -1, 414, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 407, 408, 407, 408,
 &end
#
#   27 GLU  HA           29 GLU  HN          5.50    (#    115:15  Unique         3.90, 4.37 A)
 &rst
  ixpk= 115, nxpk= 15, iat= 390, 414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:116     29 GLU  HN          2.80    (#    116:15  Single Ambig)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1, 414, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 418, 419, 421, 422, 421, 422,
 &end
#
#    0 AMB  15-2:117     29 GLU  HN          5.50    (#    117:15  Single Ambig)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1, 414, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 392, 393, 449, 450,
 &end
#
#   29 GLU  HB-          29 GLU  HN          4.50    (#    118:15  Unique         2.27, 2.99 A)
 &rst
  ixpk= 118, nxpk= 15, iat=  -1, 414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 418, 419,
 &end
#
#   26 THR  MG2          29 GLU  HN          5.50    (#    119:15  Unique         4.50, 5.09 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1, 414, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 380, 381, 382,
 &end
#
#   30 VAL  MGY          29 GLU  HN          5.50    (#    120:15  Unique         3.93, 6.15 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1, 414, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   33 SER  HB-          44 ALA  HN          7.00    (#    121:15  Unique         3.07, 3.65 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 480, 481,
 &end
#
#   44 ALA  HA           44 ALA  HN          3.50    (#    122:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 638, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 SER  HB+          44 ALA  HN          4.50    (#    123:15  Unique         3.07, 3.65 A)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480, 481,
 &end
#
#   43 LEU  HA           44 ALA  HN          5.50    (#    124:15  Unique         3.51, 3.53 A)
 &rst
  ixpk= 124, nxpk= 15, iat= 619, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 LEU  HB+          44 ALA  HN          3.50    (#    126:15  Unique         2.51, 3.12 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 621, 622,
 &end
#
#   46 ALA  MB           44 ALA  HN          7.00    (#    127:15  Unique         5.55, 6.36 A)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 666, 667, 668,
 &end
#
#   43 LEU  HG           44 ALA  HN          5.50    (#    128:15  Unique         4.23, 4.45 A)
 &rst
  ixpk= 128, nxpk= 15, iat= 624, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 ALA  MB           44 ALA  HN          2.80    (#    129:15  Unique         2.29, 2.89 A)
 &rst
  ixpk= 129, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 640, 641, 642,
 &end
#
#   43 LEU  HB-          44 ALA  HN          4.50    (#    130:15  Unique         2.51, 3.12 A)
 &rst
  ixpk= 130, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#    0 AMB  15-2:131     44 ALA  HN          5.50    (#    131:15  Single Ambig)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 652, 653, 654, 656, 657, 658, 435, 436, 437, 439,
       440, 441, 626, 627, 628, 630, 631, 632,
 &end
#
#   52 ASP  HA           52 ASP  HN          3.50    (#    135:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 769, 767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 LEU  HA           52 ASP  HN          4.50    (#    136:15  Unique         3.66, 3.70 A)
 &rst
  ixpk= 136, nxpk= 15, iat= 712, 767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 ILE  HA           52 ASP  HN          5.50    (#    137:15  Unique         3.49, 3.49 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 750, 767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 ASP  HB+          52 ASP  HN          2.80    (#    138:15  Unique         2.32, 2.58 A)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 771, 772,
 &end
#
#   52 ASP  HB-          52 ASP  HN          3.50    (#    139:15  Unique         2.32, 2.58 A)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 771, 772,
 &end
#
#   51 ILE  HB           52 ASP  HN          3.50    (#    140:15  Unique         2.79, 2.85 A)
 &rst
  ixpk= 140, nxpk= 15, iat= 752, 767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:141     52 ASP  HN          4.50    (#    141:15  Single Ambig)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755, 756, 735, 736, 737,
 &end
#
#    0 AMB  15-2:146     19 VAL  HN          4.50    (#    146:15  Single Ambig)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 251, 203,
 &end
#
#   19 VAL  HA           19 VAL  HN          4.50    (#    147:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 147, nxpk= 15, iat= 266, 264, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 VAL  HA           19 VAL  HN          5.50    (#    148:15  Unique         3.53, 3.60 A)
 &rst
  ixpk= 148, nxpk= 15, iat= 213, 264, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:149     19 VAL  HN          2.80    (#    149:15  Single Ambig)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 268, 256, 257,
 &end
#
#   18 GLU  HB-          19 VAL  HN          3.50    (#    150:15  Unique         2.41, 3.13 A)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 253, 254,
 &end
#
#   15 ALA  MB           19 VAL  HN          7.00    (#    151:15  Unique         4.94, 5.59 A)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 205, 206, 207,
 &end
#
#   19 VAL  MGY          19 VAL  HN          4.50    (#    152:15  Unique         1.95, 3.04 A)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   19 VAL  MGX          19 VAL  HN          4.50    (#    153:15  Unique         1.95, 3.04 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   50 ILE  QD1          19 VAL  HN          4.50    (#    154:15  Unique         2.86, 3.33 A)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 742, 743, 744,
 &end
#
#    0 AMB  15-2:155     19 VAL  HN          5.50    (#    155:15  Single Ambig)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 735, 736, 737, 435, 436, 437, 439, 440, 441,
 &end
#
#   45 VAL  HA           49 LEU  HN          5.50    (#    156:15  Unique         4.16, 4.18 A)
 &rst
  ixpk= 156, nxpk= 15, iat= 648, 710, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HA           46 ALA  HN          3.50    (#    160:15  Unique         2.74, 2.75 A)
 &rst
  ixpk= 160, nxpk= 15, iat= 664, 662, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:161     46 ALA  HN          5.50    (#    161:15  Single Ambig)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 602, 638,
 &end
#
#    0 AMB  15-2:162     46 ALA  HN          4.50    (#    162:15  Single Ambig)
 &rst
  ixpk= 162, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 619, 648,
 &end
#
#   45 VAL  HB           46 ALA  HN          3.50    (#    163:15  Unique         2.36, 2.38 A)
 &rst
  ixpk= 163, nxpk= 15, iat= 650, 662, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  MB           46 ALA  HN          2.80    (#    164:15  Unique         2.22, 2.89 A)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 666, 667, 668,
 &end
#
#   45 VAL  MGY          46 ALA  HN          4.50    (#    165:15  Unique         3.38, 4.35 A)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#    0 AMB  15-2:171     49 LEU  HN          2.80    (#    171:15  Single Ambig)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 710, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 712, 664,
 &end
#
#    0 AMB  15-2:172     49 LEU  HN          3.50    (#    172:15  Single Ambig)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1, 710, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 697, 698, 697, 698,
 &end
#
#   49 LEU  HB+          49 LEU  HN          2.80    (#    173:15  Unique         2.11, 2.56 A)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1, 710, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 714, 715,
 &end
#
#   49 LEU  HB-          49 LEU  HN          2.80    (#    174:15  Unique         2.11, 2.56 A)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1, 710, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 714, 715,
 &end
#
#    0 AMB  15-2:175     49 LEU  HN          4.50    (#    175:15  Single Ambig)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1, 710, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725,
 &end
#
#   49 LEU  HB+          46 ALA  HN          5.50    (#    177:15  Unique         3.86, 4.32 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 714, 715,
 &end
#
#   49 LEU  HB-          46 ALA  HN          5.50    (#    178:15  Unique         3.86, 4.32 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 714, 715,
 &end
#
#   58 ASN  HA           59 GLN  HN          5.50    (#    180:15  Unique         2.14, 2.46 A)
 &rst
  ixpk= 180, nxpk= 15, iat= 879, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 ASP  HA           38 ASP  HN          4.50    (#    181:15  Unique         2.93, 2.93 A)
 &rst
  ixpk= 181, nxpk= 15, iat= 547, 545, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 SER  HA           38 ASP  HN          7.00    (#    182:15  Unique         6.97, 6.99 A)
 &rst
  ixpk= 182, nxpk= 15, iat= 529, 545, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   33 SER  HB+          38 ASP  HN          4.50    (#    183:15  Unique         5.54, 6.66 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480, 481,
 &end
#
#   38 ASP  HB-          38 ASP  HN          3.50    (#    184:15  Unique         2.23, 2.79 A)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#    0 AMB  15-2:185     38 ASP  HN          5.50    (#    185:15  Single Ambig)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 592, 593, 592, 593,
 &end
#
#   38 ASP  HB+          38 ASP  HN          3.50    (#    186:15  Unique         2.23, 2.79 A)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#    0 AMB  15-2:190     18 GLU  HN          2.80    (#    190:15  Single Ambig)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 251, 203,
 &end
#
#   17 LYS  HA           18 GLU  HN          5.50    (#    191:15  Unique         3.47, 3.50 A)
 &rst
  ixpk= 191, nxpk= 15, iat= 229, 249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 GLU  HG-          18 GLU  HN          4.50    (#    192:15  Unique         2.25, 2.97 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 256, 257,
 &end
#
#   14 GLU  HG+          18 GLU  HN          7.00    (#    193:15  Unique         6.96, 7.62 A)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 193, 194,
 &end
#
#    0 AMB  15-2:194     18 GLU  HN          2.80    (#    194:15  Single Ambig)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 253, 254, 256, 257,
 &end
#
#    0 AMB  15-2:195     18 GLU  HN          3.50    (#    195:15  Single Ambig)
 &rst
  ixpk= 195, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 231, 232, 231, 232,
 &end
#
#   19 VAL  MGY          18 GLU  HN          7.00    (#    196:15  Unique         3.57, 5.04 A)
 &rst
  ixpk= 196, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#    0 AMB  15-2:197     18 GLU  HN          5.50    (#    197:15  Single Ambig)
 &rst
  ixpk= 197, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 742, 743, 744, 217, 218, 219, 221, 222, 223,
 &end
#
#   53 ASN  HA           59 GLN  HN          7.00    (#    200:15  Unique         7.22, 9.15 A)
 &rst
  ixpk= 200, nxpk= 15, iat= 781, 891, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   53 ASN  HA           54 ARG  HN          5.50    (#    205:15  Unique         3.42, 3.45 A)
 &rst
  ixpk= 205, nxpk= 15, iat= 781, 793, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 ILE  HA           54 ARG  HN          5.50    (#    206:15  Unique         3.67, 3.87 A)
 &rst
  ixpk= 206, nxpk= 15, iat= 750, 793, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 ASP  HB+          54 ARG  HN          5.50    (#    207:15  Unique         4.74, 5.12 A)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 771, 772,
 &end
#
#   54 ARG  HD+          54 ARG  HN          4.50    (#    208:15  Unique         1.95, 2.94 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 803, 804,
 &end
#
#    0 AMB  15-2:209     54 ARG  HN          7.00    (#    209:15  Single Ambig)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 754, 755, 756, 735, 736, 737,
 &end
#
#   54 ARG  HA           54 ARG  HN          4.50    (#    210:15  Unique         2.76, 2.78 A)
 &rst
  ixpk= 210, nxpk= 15, iat= 795, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 ASN  HB-          54 ARG  HN          5.50    (#    211:15  Unique         3.00, 3.51 A)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 783, 784,
 &end
#
#    0 AMB  15-2:212     54 ARG  HN          2.80    (#    212:15  Single Ambig)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 803, 804, 797, 798,
 &end
#
#   12 ASP  HA           14 GLU  HN          5.50    (#    214:15  Unique         3.54, 3.67 A)
 &rst
  ixpk= 214, nxpk= 15, iat= 164, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 ASP  HA           14 GLU  HN          4.50    (#    215:15  Unique         3.49, 3.52 A)
 &rst
  ixpk= 215, nxpk= 15, iat= 176, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 ALA  HA           14 GLU  HN          5.50    (#    216:15  Unique         5.28, 5.33 A)
 &rst
  ixpk= 216, nxpk= 15, iat= 203, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 GLU  HA           14 GLU  HN          3.50    (#    217:15  Unique         2.77, 2.80 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:218     14 GLU  HN          3.50    (#    218:15  Single Ambig)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 178, 179, 178, 179,
 &end
#
#   14 GLU  HG+          14 GLU  HN          4.50    (#    220:15  Unique         2.12, 2.71 A)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 193, 194,
 &end
#
#   14 GLU  HG-          14 GLU  HN          4.50    (#    221:15  Unique         2.12, 2.71 A)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 193, 194,
 &end
#
#   14 GLU  HB-          14 GLU  HN          2.80    (#    222:15  Unique         2.40, 3.05 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 190, 191,
 &end
#
#   11 ILE  HG1+         14 GLU  HN          7.00    (#    223:15  Unique         9.11, 9.51 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 153, 154,
 &end
#
#    0 AMB  15-2:226     50 ILE  HN          5.50    (#    226:15  Single Ambig)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 712, 664,
 &end
#
#   47 TYR  HA           50 ILE  HN          5.50    (#    227:15  Unique         4.43, 4.46 A)
 &rst
  ixpk= 227, nxpk= 15, iat= 674, 729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 ILE  HA           50 ILE  HN          4.50    (#    228:15  Unique         2.91, 2.91 A)
 &rst
  ixpk= 228, nxpk= 15, iat= 731, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:229     50 ILE  HN          2.80    (#    229:15  Single Ambig)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 733, 714, 715,
 &end
#
#    0 AMB  15-2:230     50 ILE  HN          2.80    (#    230:15  Single Ambig)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 739, 740, 714, 715,
 &end
#
#   50 ILE  HG1+         50 ILE  HN          4.50    (#    231:15  Unique         2.45, 3.26 A)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 739, 740,
 &end
#
#    0 AMB  15-2:232     50 ILE  HN          4.50    (#    232:15  Single Ambig)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 758, 759, 742, 743, 744,
 &end
#
#   50 ILE  QG2          50 ILE  HN          4.50    (#    233:15  Unique         4.42, 4.56 A)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 735, 736, 737,
 &end
#
#   51 ILE  HG1-         50 ILE  HN          5.50    (#    234:15  Unique         3.40, 4.08 A)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 758, 759,
 &end
#
#    0 AMB  15-2:239     17 LYS  HN          7.00    (#    239:15  Single Ambig)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 203, 251,
 &end
#
#    0 AMB  15-2:240     24 GLU  HN          3.50    (#    240:15  Single Ambig)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 352, 353, 352, 353,
 &end
#
#   22 LYS  HB+          24 GLU  HN          4.50    (#    241:15  Unique         4.09, 4.64 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 310, 311,
 &end
#
#    7 ASP  HA           10 VAL  HN          7.00    (#    242:15  Unique         3.29, 4.47 A)
 &rst
  ixpk= 242, nxpk= 15, iat=  93, 127, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   14 GLU  HA           17 LYS  HN          5.50    (#    246:15  Unique         3.65, 3.85 A)
 &rst
  ixpk= 246, nxpk= 15, iat= 188, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 LYS  HA           17 LYS  HN          4.50    (#    247:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 247, nxpk= 15, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 VAL  HB           17 LYS  HN          3.50    (#    248:15  Unique         2.77, 2.91 A)
 &rst
  ixpk= 248, nxpk= 15, iat= 215, 227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 GLU  HG+          17 LYS  HN          7.00    (#    249:15  Unique         4.07, 4.83 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 256, 257,
 &end
#
#    0 AMB  15-2:250     17 LYS  HN          2.80    (#    250:15  Single Ambig)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 231, 232, 231, 232,
 &end
#
#    0 AMB  15-2:251     17 LYS  HN          5.50    (#    251:15  Single Ambig)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
       222, 223,
 &end
#
#   16 VAL  MGX          17 LYS  HN          4.50    (#    252:15  Unique         4.01, 4.71 A)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#    0 AMB  15-2:254     17 LYS  HN          7.00    (#    254:15  Single Ambig)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 178, 179, 178, 179,
 &end
#
#   52 ASP  HA           55 ARG  HN          4.50    (#    255:15  Unique         3.51, 3.74 A)
 &rst
  ixpk= 255, nxpk= 15, iat= 769, 817, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 GLU  HA           30 VAL  HN          5.50    (#    256:15  Unique         3.45, 3.48 A)
 &rst
  ixpk= 256, nxpk= 15, iat= 416, 429, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 GLU  HA           30 VAL  HN          4.50    (#    257:15  Unique         3.35, 3.57 A)
 &rst
  ixpk= 257, nxpk= 15, iat= 390, 429, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 VAL  HA           30 VAL  HN          4.50    (#    258:15  Unique         2.80, 2.86 A)
 &rst
  ixpk= 258, nxpk= 15, iat= 431, 429, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 GLU  HB+          30 VAL  HN          3.50    (#    259:15  Unique         2.68, 3.36 A)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 418, 419,
 &end
#
#   30 VAL  HB           30 VAL  HN          2.80    (#    260:15  Unique         2.48, 2.49 A)
 &rst
  ixpk= 260, nxpk= 15, iat= 433, 429, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 GLU  HB-          30 VAL  HN          4.50    (#    261:15  Unique         2.68, 3.36 A)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 418, 419,
 &end
#
#   30 VAL  MGY          30 VAL  HN          2.80    (#    262:15  Unique         2.18, 3.84 A)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   16 VAL  MGX          30 VAL  HN          7.00    (#    263:15  Unique         4.61, 6.65 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   30 VAL  MGX          30 VAL  HN          4.50    (#    264:15  Unique         2.18, 3.84 A)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   13 ASP  HA           17 LYS  HN          5.50    (#    271:15  Unique         3.94, 4.14 A)
 &rst
  ixpk= 271, nxpk= 15, iat= 176, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 VAL  HA           17 LYS  HN          5.50    (#    272:15  Unique         3.45, 3.48 A)
 &rst
  ixpk= 272, nxpk= 15, iat= 213, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 LYS  HG+          17 LYS  HN          4.50    (#    273:15  Unique         2.45, 3.40 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 234, 235,
 &end
#
#   17 LYS  HG-          17 LYS  HN          5.50    (#    274:15  Unique         2.45, 3.40 A)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 234, 235,
 &end
#
#   27 GLU  HG-          17 LYS  HN          5.50    (#    275:15  Unique         4.61, 5.86 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 395, 396,
 &end
#
#   54 ARG  HD+          55 ARG  HN          4.50    (#    276:15  Unique         4.38, 5.14 A)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 803, 804,
 &end
#
#    0 AMB  15-2:277      0 AMB  15-1:277    2.80    (#    277:15  Double Ambig)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 129, 819,
 igr2= 127, 817,
 &end
#
#    9 ASN  HB-          10 VAL  HN          4.50    (#    278:15  Unique         2.01, 3.12 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 117, 118,
 &end
#
#    0 AMB  15-2:279      0 AMB  15-1:279    2.80    (#    279:15  Double Ambig)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 131, 821, 822, 821, 822,
 igr2= 127, 817,
 &end
#
#    0 AMB  15-2:285      0 AMB  15-1:285    5.50    (#    285:15  Double Ambig)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 602, 922, 923,
 igr2= 617, 877,
 &end
#
#   46 ALA  MB           43 LEU  HN          7.00    (#    286:15  Unique         5.32, 6.07 A)
 &rst
  ixpk= 286, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 666, 667, 668,
 &end
#
#    0 AMB  15-2:287      0 AMB  15-1:287    4.50    (#    287:15  Double Ambig)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 293, 664, 251,
 igr2= 306, 672,
 &end
#
#   22 LYS  HA           22 LYS  HN          3.50    (#    288:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 288, nxpk= 15, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:289      0 AMB  15-1:289    4.50    (#    289:15  Double Ambig)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 266, 648,
 igr2= 306, 672,
 &end
#
#   21 GLU  HG+          22 LYS  HN          3.50    (#    290:15  Unique         2.22, 2.87 A)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 298, 299,
 &end
#
#   22 LYS  HB+          22 LYS  HN          3.50    (#    291:15  Unique         2.13, 2.67 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   22 LYS  HG+          22 LYS  HN          5.50    (#    292:15  Unique         2.63, 4.13 A)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 313, 314,
 &end
#
#   22 LYS  HG-          22 LYS  HN          5.50    (#    293:15  Unique         2.63, 4.13 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 313, 314,
 &end
#
#   47 TYR  HD           47 TYR  HN          5.50    (#    294:15  Unique         4.61, 4.71 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 680, 689,
 &end
#
#   44 ALA  HA           47 TYR  HN          4.50    (#    295:15  Unique         4.03, 4.04 A)
 &rst
  ixpk= 295, nxpk= 15, iat= 638, 672, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HA           47 TYR  HN          3.50    (#    296:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 296, nxpk= 15, iat= 674, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 TYR  HB-          47 TYR  HN          3.50    (#    297:15  Unique         2.41, 2.53 A)
 &rst
  ixpk= 297, nxpk= 15, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 676, 677,
 &end
#
#    0 AMB  15-2:298      0 AMB  15-1:298    2.80    (#    298:15  Double Ambig)
 &rst
  ixpk= 298, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 310, 311, 666, 667, 668,
 igr2= 306, 672,
 &end
#
#   19 VAL  MGY          47 TYR  HN          4.50    (#    299:15  Unique         2.99, 4.79 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   20 CYS  HB+          22 LYS  HN          7.00    (#    300:15  Unique         4.74, 5.19 A)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 284, 285,
 &end
#
#   58 ASN  HA           55 ARG  HN          7.00    (#    304:15  Unique         5.29, 7.26 A)
 &rst
  ixpk= 304, nxpk= 15, iat= 879, 817, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:305     55 ARG  HN          3.50    (#    305:15  Single Ambig)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 824, 825, 824, 825,
 &end
#
#   57 MET  HA           58 ASN  HN          5.50    (#    310:15  Unique         3.46, 3.52 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 862, 877, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 ASN  HA           58 ASN  HN          5.50    (#    312:15  Unique         2.27, 2.76 A)
 &rst
  ixpk= 312, nxpk= 15, iat= 879, 877, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:313      0 AMB  15-1:313    7.00    (#    313:15  Double Ambig)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 590, 893,
 igr2= 617, 877,
 &end
#
#   43 LEU  HA           43 LEU  HN          4.50    (#    314:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 314, nxpk= 15, iat= 619, 617, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:315      0 AMB  15-1:315    4.50    (#    315:15  Double Ambig)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 864, 865, 604, 605, 604, 605,
 igr2= 877, 617,
 &end
#
#   43 LEU  HB+          43 LEU  HN          3.50    (#    316:15  Unique         2.35, 2.99 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 621, 622,
 &end
#
#   43 LEU  HG           43 LEU  HN          2.80    (#    317:15  Unique         2.44, 2.73 A)
 &rst
  ixpk= 317, nxpk= 15, iat= 624, 617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 LEU  HG           43 LEU  HN          7.00    (#    318:15  Unique         7.80, 7.93 A)
 &rst
  ixpk= 318, nxpk= 15, iat= 494, 617, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   43 LEU  HB-          43 LEU  HN          4.50    (#    319:15  Unique         2.35, 2.99 A)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#   43 LEU  MDX          43 LEU  HN          5.50    (#    320:15  Unique         3.51, 4.63 A)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   43 LEU  MDY          43 LEU  HN          4.50    (#    321:15  Unique         3.51, 4.63 A)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   47 TYR  HB+          47 TYR  HN          2.80    (#    322:15  Unique         2.41, 2.53 A)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 676, 677,
 &end
#
#    0 AMB  15-2:323     47 TYR  HN          5.50    (#    323:15  Single Ambig)
 &rst
  ixpk= 323, nxpk= 15, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
       440, 441,
 &end
#
#   42 GLN  HG+          43 LEU  HN          7.00    (#    330:15  Unique         1.95, 2.84 A)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 607, 608,
 &end
#
#    0 AMB  15-2:336     45 VAL  HN          4.50    (#    336:15  Single Ambig)
 &rst
  ixpk= 336, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 602,
 &end
#
#    0 AMB  15-2:337     45 VAL  HN          7.00    (#    337:15  Single Ambig)
 &rst
  ixpk= 337, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 480, 481, 674,
 &end
#
#    0 AMB  15-2:338     45 VAL  HN          3.50    (#    338:15  Single Ambig)
 &rst
  ixpk= 338, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 648, 619,
 &end
#
#   45 VAL  HB           45 VAL  HN          3.50    (#    339:15  Unique         2.49, 2.50 A)
 &rst
  ixpk= 339, nxpk= 15, iat= 650, 646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 ALA  MB           45 VAL  HN          3.50    (#    340:15  Unique         3.18, 3.82 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 640, 641, 642,
 &end
#
#   45 VAL  MGY          45 VAL  HN          2.80    (#    342:15  Unique         2.53, 3.95 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#   20 CYS  HA           21 GLU  HN          5.50    (#    350:15  Unique         3.46, 3.52 A)
 &rst
  ixpk= 350, nxpk= 15, iat= 282, 291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:351     21 GLU  HN          3.50    (#    351:15  Single Ambig)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1, 291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 293, 251,
 &end
#
#   20 CYS  HB+          21 GLU  HN          4.50    (#    352:15  Unique         2.65, 3.29 A)
 &rst
  ixpk= 352, nxpk= 15, iat=  -1, 291, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 285,
 &end
#
#   21 GLU  HG-          21 GLU  HN          4.50    (#    353:15  Unique         2.10, 2.65 A)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1, 291, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 298, 299,
 &end
#
#    0 AMB  15-2:354     21 GLU  HN          2.80    (#    354:15  Single Ambig)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1, 291, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 298, 299, 295, 296,
 &end
#
#   17 LYS  HA           21 GLU  HN          5.50    (#    355:15  Unique         4.70, 4.80 A)
 &rst
  ixpk= 355, nxpk= 15, iat= 229, 291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 CYS  HB-          21 GLU  HN          5.50    (#    356:15  Unique         2.65, 3.29 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1, 291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 284, 285,
 &end
#
#    0 AMB  15-2:357     51 ILE  HN          7.00    (#    357:15  Single Ambig)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 739, 740, 803, 804, 714, 715,
 &end
#
#   48 HIS  HA           51 ILE  HN          5.50    (#    359:15  Unique         2.89, 2.93 A)
 &rst
  ixpk= 359, nxpk= 15, iat= 695, 748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 ILE  HA           51 ILE  HN          4.50    (#    360:15  Unique         2.88, 2.88 A)
 &rst
  ixpk= 360, nxpk= 15, iat= 750, 748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 ILE  HB           51 ILE  HN          2.80    (#    361:15  Unique         2.73, 2.74 A)
 &rst
  ixpk= 361, nxpk= 15, iat= 752, 748, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 ILE  HG1-         51 ILE  HN          4.50    (#    362:15  Unique         1.92, 2.47 A)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 758, 759,
 &end
#
#   50 ILE  HG1+         51 ILE  HN          5.50    (#    363:15  Unique         4.32, 4.81 A)
 &rst
  ixpk= 363, nxpk= 15, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 739, 740,
 &end
#
#   51 ILE  HG1+         51 ILE  HN          3.50    (#    364:15  Unique         1.92, 2.47 A)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 758, 759,
 &end
#
#    0 AMB  15-2:365     51 ILE  HN          3.50    (#    365:15  Single Ambig)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 735, 736, 737, 754, 755, 756,
 &end
#
#   51 ILE  QD1          51 ILE  HN          5.50    (#    366:15  Unique         4.07, 4.37 A)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 761, 762, 763,
 &end
#
#   50 ILE  HA           51 ILE  HN          5.50    (#    367:15  Unique         3.48, 3.49 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 731, 748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HD           16 VAL  HN          5.50    (#    370:15  Unique         3.52, 5.83 A)
 &rst
  ixpk= 370, nxpk= 15, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 680, 689,
 &end
#
#   16 VAL  MGX          16 VAL  HN          4.50    (#    371:15  Unique         2.15, 3.68 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   13 ASP  HA           16 VAL  HN          4.50    (#    372:15  Unique         3.10, 3.35 A)
 &rst
  ixpk= 372, nxpk= 15, iat= 176, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 ALA  HA           16 VAL  HN          5.50    (#    373:15  Unique         3.48, 3.53 A)
 &rst
  ixpk= 373, nxpk= 15, iat= 203, 211, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 VAL  HA           16 VAL  HN          3.50    (#    374:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 374, nxpk= 15, iat= 213, 211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 VAL  HB           16 VAL  HN          2.80    (#    375:15  Unique         2.62, 2.66 A)
 &rst
  ixpk= 375, nxpk= 15, iat= 215, 211, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   15 ALA  MB           16 VAL  HN          3.50    (#    376:15  Unique         2.67, 3.47 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 205, 206, 207,
 &end
#
#   51 ILE  HG1-         16 VAL  HN          5.50    (#    377:15  Unique         5.71, 6.16 A)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 758, 759,
 &end
#
#   16 VAL  MGY          16 VAL  HN          2.80    (#    378:15  Unique         2.15, 3.68 A)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   32 ASN  HA           33 SER  HN          5.50    (#    379:15  Unique         3.51, 3.52 A)
 &rst
  ixpk= 379, nxpk= 15, iat= 464, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 ILE  QG2          16 VAL  HN          5.50    (#    380:15  Unique         4.21, 5.15 A)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 149, 150, 151,
 &end
#
#   33 SER  HA           33 SER  HN          3.50    (#    381:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 381, nxpk= 15, iat= 478, 476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 SER  HB-          33 SER  HN          2.80    (#    382:15  Unique         2.07, 2.77 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 480, 481,
 &end
#
#   33 SER  HB+          33 SER  HN          4.50    (#    383:15  Unique         2.07, 2.77 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480, 481,
 &end
#
#   30 VAL  HA           33 SER  HN          5.50    (#    384:15  Unique         3.48, 3.57 A)
 &rst
  ixpk= 384, nxpk= 15, iat= 431, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 ASN  HB-          33 SER  HN          4.50    (#    385:15  Unique         2.70, 3.36 A)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 466, 467,
 &end
#
#    0 AMB  15-2:386     33 SER  HN          5.50    (#    386:15  Single Ambig)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 &end
#
#   34 LEU  HG           33 SER  HN          7.00    (#    387:15  Unique         3.72, 3.75 A)
 &rst
  ixpk= 387, nxpk= 15, iat= 494, 476, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   19 VAL  MGY          20 CYS  HN          5.50    (#    388:15  Unique         2.29, 4.06 A)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   20 CYS  HA           20 CYS  HN          4.50    (#    389:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 389, nxpk= 15, iat= 282, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:390     20 CYS  HN          5.50    (#    390:15  Single Ambig)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 251, 293,
 &end
#
#   17 LYS  HA           20 CYS  HN          5.50    (#    391:15  Unique         3.32, 3.52 A)
 &rst
  ixpk= 391, nxpk= 15, iat= 229, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 VAL  HA           20 CYS  HN          5.50    (#    392:15  Unique         3.45, 3.46 A)
 &rst
  ixpk= 392, nxpk= 15, iat= 266, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 CYS  HB+          20 CYS  HN          3.50    (#    393:15  Unique         2.09, 2.64 A)
 &rst
  ixpk= 393, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 284, 285,
 &end
#
#   20 CYS  HB-          20 CYS  HN          4.50    (#    394:15  Unique         2.09, 2.64 A)
 &rst
  ixpk= 394, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 285,
 &end
#
#   19 VAL  HB           20 CYS  HN          4.50    (#    396:15  Unique         3.77, 3.89 A)
 &rst
  ixpk= 396, nxpk= 15, iat= 268, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 VAL  MGX          20 CYS  HN          4.50    (#    397:15  Unique         2.29, 4.06 A)
 &rst
  ixpk= 397, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   16 VAL  MGX          20 CYS  HN          5.50    (#    398:15  Unique         4.69, 6.52 A)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   27 GLU  HA           31 MET  HN          5.50    (#    399:15  Unique         3.97, 4.36 A)
 &rst
  ixpk= 399, nxpk= 15, iat= 390, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 VAL  HA           31 MET  HN          5.50    (#    400:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 400, nxpk= 15, iat= 431, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 MET  HG-          31 MET  HN          3.50    (#    401:15  Unique         1.95, 2.57 A)
 &rst
  ixpk= 401, nxpk= 15, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 452, 453,
 &end
#
#    0 AMB  15-2:402     31 MET  HN          5.50    (#    402:15  Single Ambig)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
       222, 223,
 &end
#
#    0 AMB  15-2:403      0 AMB  15-1:403    7.00    (#    403:15  Double Ambig)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 133, 134, 135, 137, 138, 139, 217, 218, 219, 221,
       222, 223,
 igr2=  59, 445,
 &end
#
#   30 VAL  MGX          31 MET  HN          4.50    (#    404:15  Unique         2.95, 4.13 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  15-2:406     20 CYS  HN          5.50    (#    406:15  Single Ambig)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 213, 390,
 &end
#
#   28 SER  HA           31 MET  HN          5.50    (#    407:15  Unique         3.65, 3.73 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 405, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 MET  HA           31 MET  HN          3.50    (#    408:15  Unique         2.76, 2.78 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 447, 445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 MET  HG+          31 MET  HN          4.50    (#    409:15  Unique         1.95, 2.57 A)
 &rst
  ixpk= 409, nxpk= 15, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 452, 453,
 &end
#
#    0 AMB  15-2:410     31 MET  HN          2.80    (#    410:15  Single Ambig)
 &rst
  ixpk= 410, nxpk= 15, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 433, 449, 450,
 &end
#
#    0 AMB  15-2:411      0 AMB  15-1:411    3.50    (#    411:15  Double Ambig)
 &rst
  ixpk= 411, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  46,  47, 449, 450,
 igr2=  59, 445,
 &end
#
#    0 AMB  15-2:412     31 MET  HN          5.50    (#    412:15  Single Ambig)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 421, 422, 421, 422,
 &end
#
#   49 LEU  HA           53 ASN  HN          5.50    (#    414:15  Unique         3.79, 4.03 A)
 &rst
  ixpk= 414, nxpk= 15, iat= 712, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   53 ASN  HA           53 ASN  HN          3.50    (#    415:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 415, nxpk= 15, iat= 781, 779, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ASP  HA           53 ASN  HN          5.50    (#    416:15  Unique         3.49, 3.50 A)
 &rst
  ixpk= 416, nxpk= 15, iat= 769, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 ILE  HA           53 ASN  HN          5.50    (#    417:15  Unique         3.53, 3.58 A)
 &rst
  ixpk= 417, nxpk= 15, iat= 731, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   53 ASN  HB-          53 ASN  HN          2.80    (#    418:15  Unique         2.19, 2.69 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 783, 784,
 &end
#
#   52 ASP  HB+          53 ASN  HN          2.80    (#    419:15  Unique         2.69, 3.27 A)
 &rst
  ixpk= 419, nxpk= 15, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 771, 772,
 &end
#
#   52 ASP  HB-          53 ASN  HN          4.50    (#    420:15  Unique         2.69, 3.27 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 771, 772,
 &end
#
#   54 ARG  HD-          53 ASN  HN          7.00    (#    421:15  Unique         3.69, 4.69 A)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 803, 804,
 &end
#
#   55 ARG  HA           56 ILE  HN          7.00    (#    426:15  Unique         3.46, 3.49 A)
 &rst
  ixpk= 426, nxpk= 15, iat= 819, 841, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:427      0 AMB  15-1:427    4.50    (#    427:15  Double Ambig)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 843, 416,
 igr2= 841, 462,
 &end
#
#   34 LEU  HG           35 TYR  HN          5.50    (#    429:15  Unique         3.99, 4.03 A)
 &rst
  ixpk= 429, nxpk= 15, iat= 494, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HA           48 HIS  HN          5.50    (#    430:15  Unique         3.56, 3.56 A)
 &rst
  ixpk= 430, nxpk= 15, iat= 674, 693, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 ASN  HA           32 ASN  HN          3.50    (#    431:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 431, nxpk= 15, iat= 464, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ASN  HB-          32 ASN  HN          3.50    (#    432:15  Unique         2.32, 2.54 A)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 466, 467,
 &end
#
#   35 TYR  HA           35 TYR  HN          4.50    (#    434:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 434, nxpk= 15, iat= 508, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 ASN  HA           35 TYR  HN          5.50    (#    435:15  Unique         3.42, 3.45 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 464, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 LEU  HA           35 TYR  HN          4.50    (#    436:15  Unique         3.50, 3.51 A)
 &rst
  ixpk= 436, nxpk= 15, iat= 489, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 TYR  HB+          35 TYR  HN          4.50    (#    437:15  Unique         2.52, 2.76 A)
 &rst
  ixpk= 437, nxpk= 15, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 510, 511,
 &end
#
#   35 TYR  HB-          35 TYR  HN          2.80    (#    438:15  Unique         2.52, 2.76 A)
 &rst
  ixpk= 438, nxpk= 15, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 510, 511,
 &end
#
#   34 LEU  HB+          35 TYR  HN          4.50    (#    439:15  Unique         2.68, 3.33 A)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 491, 492,
 &end
#
#   34 LEU  HB-          35 TYR  HN          4.50    (#    440:15  Unique         2.68, 3.33 A)
 &rst
  ixpk= 440, nxpk= 15, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 491, 492,
 &end
#
#   47 TYR  HD           48 HIS  HN          4.50    (#    441:15  Unique         2.98, 4.18 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 693, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 680, 689,
 &end
#
#   48 HIS  HA           48 HIS  HN          3.50    (#    442:15  Unique         2.92, 2.92 A)
 &rst
  ixpk= 442, nxpk= 15, iat= 695, 693, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 VAL  HA           48 HIS  HN          5.50    (#    443:15  Unique         3.67, 3.69 A)
 &rst
  ixpk= 443, nxpk= 15, iat= 648, 693, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:444     48 HIS  HN          2.80    (#    444:15  Single Ambig)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 693, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 697, 698, 697, 698,
 &end
#
#   47 TYR  HB+          48 HIS  HN          3.50    (#    445:15  Unique         2.45, 3.16 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 676, 677,
 &end
#
#   34 LEU  MDY           0 AMB  15-1:446    7.00    (#    446:15  Single Ambig)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 462, 693,
 &end
#
#    9 ASN  HA            9 ASN  HN          4.50    (#    450:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 450, nxpk= 15, iat= 115, 113, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ALA  HA            9 ASN  HN          4.50    (#    451:15  Unique         3.40, 3.48 A)
 &rst
  ixpk= 451, nxpk= 15, iat= 105, 113, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 ASN  HB-           9 ASN  HN          4.50    (#    452:15  Unique         2.23, 2.67 A)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1, 113, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 117, 118,
 &end
#
#    8 ALA  MB            9 ASN  HN          5.50    (#    453:15  Unique         2.84, 3.63 A)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1, 113, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 107, 108, 109,
 &end
#
#   60 ALA  HA           61 SER  HN          5.50    (#    456:15  Unique         2.14, 2.49 A)
 &rst
  ixpk= 456, nxpk= 15, iat= 910, 918, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 ASP  HA           40 GLN  HN          5.50    (#    458:15  Unique         3.96, 3.96 A)
 &rst
  ixpk= 458, nxpk= 15, iat= 547, 571, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 GLN  HA           40 GLN  HN          3.50    (#    459:15  Unique         2.90, 2.93 A)
 &rst
  ixpk= 459, nxpk= 15, iat= 573, 571, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 SER  HB-          40 GLN  HN          5.50    (#    460:15  Unique         7.06, 8.14 A)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 480, 481,
 &end
#
#    0 AMB  15-2:462     40 GLN  HN          3.50    (#    462:15  Single Ambig)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 578, 579, 575, 576,
 &end
#
#    0 AMB  15-2:463     40 GLN  HN          2.80    (#    463:15  Single Ambig)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 575, 576, 561, 562,
 &end
#
#   35 TYR  HA           36 SER  HN          4.50    (#    465:15  Unique         3.21, 3.21 A)
 &rst
  ixpk= 465, nxpk= 15, iat= 508, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 SER  HB+          36 SER  HN          3.50    (#    467:15  Unique         2.53, 2.68 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 531, 532,
 &end
#
#   36 SER  HA           36 SER  HN          4.50    (#    468:15  Unique         2.93, 2.93 A)
 &rst
  ixpk= 468, nxpk= 15, iat= 529, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 LEU  HA           36 SER  HN          5.50    (#    469:15  Unique         4.06, 4.08 A)
 &rst
  ixpk= 469, nxpk= 15, iat= 489, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 TYR  HB+          36 SER  HN          5.50    (#    470:15  Unique         3.64, 3.95 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 510, 511,
 &end
#
#   35 TYR  HB-          36 SER  HN          5.50    (#    471:15  Unique         3.64, 3.95 A)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 510, 511,
 &end
#
#   25 CYS  HA           25 CYS  HN          4.50    (#    473:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 473, nxpk= 15, iat= 365, 363, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 CYS  HA           25 CYS  HN          4.50    (#    474:15  Unique         2.50, 2.95 A)
 &rst
  ixpk= 474, nxpk= 15, iat= 282, 363, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 GLU  HA           25 CYS  HN          2.80    (#    475:15  Unique         2.73, 2.90 A)
 &rst
  ixpk= 475, nxpk= 15, iat= 350, 363, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 CYS  HB+          25 CYS  HN          5.50    (#    476:15  Unique         2.28, 3.09 A)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1, 363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 367, 368,
 &end
#
#   23 PHE  HB+          25 CYS  HN          7.00    (#    477:15  Unique         2.70, 3.57 A)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1, 363, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 332, 333,
 &end
#
#   25 CYS  HB-          25 CYS  HN          4.50    (#    478:15  Unique         2.28, 3.09 A)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1, 363, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 367, 368,
 &end
#
#    0 AMB  15-2:479     25 CYS  HN          5.50    (#    479:15  Single Ambig)
 &rst
  ixpk= 479, nxpk= 15, iat=  -1, 363, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 352, 353, 352, 353, 355, 356,
 &end
#
#   32 ASN  HA           36 SER  HN          5.50    (#    480:15  Unique         4.53, 4.55 A)
 &rst
  ixpk= 480, nxpk= 15, iat= 464, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HA           23 PHE  HN          7.00    (#    481:15  Unique         7.16, 7.68 A)
 &rst
  ixpk= 481, nxpk= 15, iat= 664, 328, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   19 VAL  HA           23 PHE  HN          5.50    (#    482:15  Unique         3.16, 3.46 A)
 &rst
  ixpk= 482, nxpk= 15, iat= 266, 328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 PHE  HA           23 PHE  HN          4.50    (#    483:15  Unique         2.85, 2.90 A)
 &rst
  ixpk= 483, nxpk= 15, iat= 330, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 LYS  HA           23 PHE  HN          5.50    (#    484:15  Unique         3.51, 3.56 A)
 &rst
  ixpk= 484, nxpk= 15, iat= 308, 328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 PHE  HB+          23 PHE  HN          4.50    (#    485:15  Unique         2.18, 2.72 A)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#   23 PHE  HB-          23 PHE  HN          3.50    (#    486:15  Unique         2.18, 2.72 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   22 LYS  HB+          23 PHE  HN          4.50    (#    487:15  Unique         1.95, 2.76 A)
 &rst
  ixpk= 487, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 310, 311,
 &end
#
#   22 LYS  HB-          23 PHE  HN          4.50    (#    488:15  Unique         1.95, 2.76 A)
 &rst
  ixpk= 488, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 310, 311,
 &end
#
#    0 AMB  15-2:489     23 PHE  HN          5.50    (#    489:15  Single Ambig)
 &rst
  ixpk= 489, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
       440, 441, 621, 622,
 &end
#
#    9 ASN  HB-           9 ASN  HD2+        4.50    (#    492:15  Unique         2.11, 3.23 A)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 117, 118,
 igr2= 122, 123,
 &end
#
#    9 ASN  HB-           9 ASN  HD2-        5.50    (#    494:15  Unique         2.11, 3.23 A)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 117, 118,
 igr2= 122, 123,
 &end
#
#   26 THR  HA           28 SER  HN          4.50    (#    499:15  Unique         3.94, 4.11 A)
 &rst
  ixpk= 499, nxpk= 15, iat= 376, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 THR  HB           28 SER  HN          4.50    (#    500:15  Unique         2.55, 2.78 A)
 &rst
  ixpk= 500, nxpk= 15, iat= 378, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 SER  HA           28 SER  HN          4.50    (#    501:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 501, nxpk= 15, iat= 405, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:502     28 SER  HN          2.80    (#    502:15  Single Ambig)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 407, 408, 407, 408,
 &end
#
#   27 GLU  HA           28 SER  HN          5.50    (#    503:15  Unique         3.47, 3.50 A)
 &rst
  ixpk= 503, nxpk= 15, iat= 390, 403, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:504     28 SER  HN          5.50    (#    504:15  Single Ambig)
 &rst
  ixpk= 504, nxpk= 15, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 395, 396, 421, 422, 421, 422,
 &end
#
#   27 GLU  HB+          28 SER  HN          3.50    (#    505:15  Unique         2.67, 3.32 A)
 &rst
  ixpk= 505, nxpk= 15, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 392, 393,
 &end
#
#   26 THR  MG2          28 SER  HN          5.50    (#    506:15  Unique         4.83, 5.19 A)
 &rst
  ixpk= 506, nxpk= 15, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 380, 381, 382,
 &end
#
#   52 ASP  HB+          53 ASN  HD2+        5.50    (#    508:15  Unique         5.63, 7.47 A)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 771, 772,
 igr2= 788, 789,
 &end
#
#   40 GLN  HB+          40 GLN  HE2-        5.50    (#    523:15  Unique         2.48, 4.20 A)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 575, 576,
 igr2= 583, 584,
 &end
#
#    0 AMB  15-2:525      0 AMB  15-1:525    4.50    (#    525:15  Double Ambig)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 578, 579, 575, 576,
 igr2= 583, 584, 583, 584,
 &end
#
#   39 PRO  HB+          40 GLN  HE2+        5.50    (#    526:15  Unique         2.95, 7.58 A)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 564, 565,
 igr2= 583, 584,
 &end
#
#   39 PRO  HB+          40 GLN  HE2-        5.50    (#    527:15  Unique         2.95, 7.58 A)
 &rst
  ixpk= 527, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 564, 565,
 igr2= 583, 584,
 &end
#
#   36 SER  HB-          37 GLY  HN          5.50    (#    530:15  Unique         2.05, 2.81 A)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 531, 532,
 &end
#
#   36 SER  HA           37 GLY  HN          3.50    (#    531:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 529, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 LEU  HA           37 GLY  HN          7.00    (#    532:15  Unique         4.83, 4.87 A)
 &rst
  ixpk= 532, nxpk= 15, iat= 489, 538, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   33 SER  HB+          37 GLY  HN          4.50    (#    533:15  Unique         4.06, 4.86 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480, 481,
 &end
#
#   29 GLU  HB-          26 THR  HN          5.50    (#    534:15  Unique         2.31, 3.26 A)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 418, 419,
 &end
#
#   25 CYS  HA           26 THR  HN          3.50    (#    535:15  Unique         2.51, 2.60 A)
 &rst
  ixpk= 535, nxpk= 15, iat= 365, 374, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 THR  HA           26 THR  HN          4.50    (#    536:15  Unique         2.90, 2.91 A)
 &rst
  ixpk= 536, nxpk= 15, iat= 376, 374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 THR  HB           26 THR  HN          5.50    (#    537:15  Unique         3.60, 3.67 A)
 &rst
  ixpk= 537, nxpk= 15, iat= 378, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 CYS  HB+          26 THR  HN          2.80    (#    538:15  Unique         1.95, 2.86 A)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 367, 368,
 &end
#
#   25 CYS  HB-          26 THR  HN          4.50    (#    539:15  Unique         1.95, 2.86 A)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 367, 368,
 &end
#
#    0 AMB  15-2:540     26 THR  HN          3.50    (#    540:15  Single Ambig)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 421, 422, 421, 422, 418, 419,
 &end
#
#   26 THR  MG2          26 THR  HN          3.50    (#    541:15  Unique         2.24, 3.25 A)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 380, 381, 382,
 &end
#
#   11 ILE  HG1-         12 ASP  HN          7.00    (#    545:15  Unique         4.32, 5.06 A)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 153, 154,
 &end
#
#   16 VAL  MGY          13 ASP  HN          7.00    (#    546:15  Unique         3.66, 5.96 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   12 ASP  HB+          13 ASP  HN          5.50    (#    547:15  Unique         4.22, 4.42 A)
 &rst
  ixpk= 547, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 166, 167,
 &end
#
#    0 AMB  15-2:548     13 ASP  HN          5.50    (#    548:15  Single Ambig)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 188, 145,
 &end
#
#   14 GLU  HN           13 ASP  HN          4.50    (#    549:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 549, nxpk= 15, iat= 186, 174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:550     62 GLU  HN          7.00    (#    550:15  Single Ambig)
 &rst
  ixpk= 550, nxpk= 15, iat=  -1, 929, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 933, 934, 933, 934,
 &end
#
#   16 VAL  MGY          11 ILE  HN          7.00    (#    552:15  Unique         6.29, 7.88 A)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   10 VAL  HN           11 ILE  HN          5.50    (#    554:15  Unique         4.58, 4.62 A)
 &rst
  ixpk= 554, nxpk= 15, iat= 127, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 VAL  MGY          42 GLN  HN          5.50    (#    555:15  Unique         4.43, 6.56 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1, 600, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#   41 ASP  HN           42 GLN  HN          5.50    (#    557:15  Unique         4.63, 4.63 A)
 &rst
  ixpk= 557, nxpk= 15, iat= 588, 600, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 ALA  HN           42 GLN  HN          7.00    (#    558:15  Unique         4.09, 4.20 A)
 &rst
  ixpk= 558, nxpk= 15, iat= 636, 600, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   43 LEU  HN           42 GLN  HN          4.50    (#    559:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 559, nxpk= 15, iat= 617, 600, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:562     15 ALA  HN          2.80    (#    562:15  Single Ambig)
 &rst
  ixpk= 562, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 211, 186,
 &end
#
#   13 ASP  HA           15 ALA  HN          5.50    (#    563:15  Unique         3.95, 4.36 A)
 &rst
  ixpk= 563, nxpk= 15, iat= 176, 201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:564     15 ALA  HN          7.00    (#    564:15  Single Ambig)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 178, 179, 178, 179,
 &end
#
#    0 AMB  15-2:565     15 ALA  HN          7.00    (#    565:15  Single Ambig)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 758, 759, 217, 218, 219, 221, 222, 223,
 &end
#
#   51 ILE  QD1          15 ALA  HN          7.00    (#    566:15  Unique         3.80, 4.69 A)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 761, 762, 763,
 &end
#
#   14 GLU  HG-          15 ALA  HN          5.50    (#    567:15  Unique         4.17, 4.53 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 193, 194,
 &end
#
#   17 LYS  HN           15 ALA  HN          5.50    (#    568:15  Unique         3.83, 3.96 A)
 &rst
  ixpk= 568, nxpk= 15, iat= 227, 201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 GLN  HN           41 ASP  HN          3.50    (#    572:15  Unique         2.39, 2.49 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 571, 588, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 VAL  HN           41 ASP  HN          7.00    (#    573:15  Unique         4.29, 4.43 A)
 &rst
  ixpk= 573, nxpk= 15, iat= 646, 588, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   42 GLN  HN           41 ASP  HN          5.50    (#    574:15  Unique         4.63, 4.63 A)
 &rst
  ixpk= 574, nxpk= 15, iat= 600, 588, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 ASP  HA           41 ASP  HN          7.00    (#    575:15  Unique         4.95, 5.07 A)
 &rst
  ixpk= 575, nxpk= 15, iat= 547, 588, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:576     27 GLU  HN          5.50    (#    576:15  Single Ambig)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 388, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
       440, 441,
 &end
#
#    0 AMB  15-2:578     27 GLU  HN          5.50    (#    578:15  Single Ambig)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 388, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 414, 429,
 &end
#
#   28 SER  HN           27 GLU  HN          4.50    (#    579:15  Unique         2.65, 2.73 A)
 &rst
  ixpk= 579, nxpk= 15, iat= 403, 388, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ILE  HG1-         57 MET  HN          7.00    (#    580:15  Unique         4.22, 4.71 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1, 860, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 851, 852,
 &end
#
#   55 ARG  HN           57 MET  HN          5.50    (#    582:15  Unique         3.63, 3.80 A)
 &rst
  ixpk= 582, nxpk= 15, iat= 817, 860, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   10 VAL  HN            7 ASP  HN          5.50    (#    587:15  Unique         4.68, 5.73 A)
 &rst
  ixpk= 587, nxpk= 15, iat= 127,  91, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:588     52 ASP  HN          7.00    (#    588:15  Single Ambig)
 &rst
  ixpk= 588, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 803, 804, 739, 740,
 &end
#
#    0 AMB  15-2:589     52 ASP  HN          7.00    (#    589:15  Single Ambig)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 697, 698, 697, 698,
 &end
#
#   51 ILE  HN           52 ASP  HN          4.50    (#    590:15  Unique         2.38, 2.39 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 748, 767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 ASN  HN           52 ASP  HN          4.50    (#    591:15  Unique         2.34, 2.41 A)
 &rst
  ixpk= 591, nxpk= 15, iat= 779, 767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:594     29 GLU  HN          7.00    (#    594:15  Single Ambig)
 &rst
  ixpk= 594, nxpk= 15, iat=  -1, 414, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
       631, 632,
 &end
#
#   20 CYS  HA           29 GLU  HN          7.00    (#    595:15  Unique         6.66, 6.97 A)
 &rst
  ixpk= 595, nxpk= 15, iat= 282, 414, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   26 THR  HA           29 GLU  HN          7.00    (#    596:15  Unique         4.40, 4.54 A)
 &rst
  ixpk= 596, nxpk= 15, iat= 376, 414, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   28 SER  HN           29 GLU  HN          4.50    (#    597:15  Unique         2.43, 2.58 A)
 &rst
  ixpk= 597, nxpk= 15, iat= 403, 414, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 THR  HN           29 GLU  HN          5.50    (#    598:15  Unique         3.68, 3.78 A)
 &rst
  ixpk= 598, nxpk= 15, iat= 374, 414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 LEU  HN           44 ALA  HN          3.50    (#    599:15  Unique         2.27, 2.31 A)
 &rst
  ixpk= 599, nxpk= 15, iat= 617, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 VAL  HN           44 ALA  HN          3.50    (#    600:15  Unique         2.58, 2.61 A)
 &rst
  ixpk= 600, nxpk= 15, iat= 646, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 LYS  HA           19 VAL  HN          7.00    (#    602:15  Unique         4.05, 4.46 A)
 &rst
  ixpk= 602, nxpk= 15, iat= 229, 264, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   18 GLU  HN           19 VAL  HN          3.50    (#    603:15  Unique         2.46, 2.55 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 249, 264, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 ILE  HN           49 LEU  HN          4.50    (#    604:15  Unique         2.64, 2.66 A)
 &rst
  ixpk= 604, nxpk= 15, iat= 729, 710, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 VAL  MGY          46 ALA  HN          5.50    (#    605:15  Unique         4.61, 6.47 A)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   44 ALA  MB           46 ALA  HN          7.00    (#    606:15  Unique         5.54, 6.05 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 640, 641, 642,
 &end
#
#   47 TYR  HN           46 ALA  HN          4.50    (#    608:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 608, nxpk= 15, iat= 672, 662, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 VAL  HN           46 ALA  HN          4.50    (#    609:15  Unique         2.38, 2.39 A)
 &rst
  ixpk= 609, nxpk= 15, iat= 646, 662, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 LEU  HN           46 ALA  HN          5.50    (#    610:15  Unique         4.64, 4.72 A)
 &rst
  ixpk= 610, nxpk= 15, iat= 617, 662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 VAL  MGX          46 ALA  HN          7.00    (#    611:15  Unique         3.38, 4.35 A)
 &rst
  ixpk= 611, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#   15 ALA  HN           14 GLU  HN          3.50    (#    612:15  Unique         2.67, 2.73 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 201, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 ASP  HN           14 GLU  HN          4.50    (#    613:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 613, nxpk= 15, iat= 174, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 ASN  HN           54 ARG  HN          4.50    (#    614:15  Unique         2.53, 2.67 A)
 &rst
  ixpk= 614, nxpk= 15, iat= 779, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 ALA  HN           43 LEU  HN          3.50    (#    615:15  Unique         2.27, 2.31 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 636, 617, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 GLN  HN           43 LEU  HN          5.50    (#    616:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 616, nxpk= 15, iat= 600, 617, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HN           47 TYR  HN          4.50    (#    617:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 617, nxpk= 15, iat= 662, 672, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:618     30 VAL  HN          3.50    (#    618:15  Single Ambig)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 445, 462,
 &end
#
#   49 LEU  HN           50 ILE  HN          4.50    (#    619:15  Unique         2.64, 2.66 A)
 &rst
  ixpk= 619, nxpk= 15, iat= 710, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 ALA  HN           45 VAL  HN          4.50    (#    620:15  Unique         2.58, 2.61 A)
 &rst
  ixpk= 620, nxpk= 15, iat= 636, 646, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HN           45 VAL  HN          4.50    (#    621:15  Unique         2.38, 2.39 A)
 &rst
  ixpk= 621, nxpk= 15, iat= 662, 646, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:623     45 VAL  HN          7.00    (#    623:15  Single Ambig)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 592, 593, 592, 593,
 &end
#
#   23 PHE  HE           45 VAL  HN          7.00    (#    624:15  Unique         5.91, 8.16 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 338, 342,
 &end
#
#   52 ASP  HN           51 ILE  HN          4.50    (#    625:15  Unique         2.38, 2.39 A)
 &rst
  ixpk= 625, nxpk= 15, iat= 767, 748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 ALA  HN           16 VAL  HN          3.50    (#    627:15  Unique         2.31, 2.48 A)
 &rst
  ixpk= 627, nxpk= 15, iat= 201, 211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 LYS  HN           16 VAL  HN          4.50    (#    628:15  Unique         2.53, 2.66 A)
 &rst
  ixpk= 628, nxpk= 15, iat= 227, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 VAL  HN           31 MET  HN          4.50    (#    629:15  Unique         2.54, 2.77 A)
 &rst
  ixpk= 629, nxpk= 15, iat= 429, 445, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 SER  HN           31 MET  HN          5.50    (#    630:15  Unique         4.17, 4.24 A)
 &rst
  ixpk= 630, nxpk= 15, iat= 476, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 GLU  HN           20 CYS  HN          4.50    (#    631:15  Unique         2.41, 2.59 A)
 &rst
  ixpk= 631, nxpk= 15, iat= 291, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 LEU  HN           33 SER  HN          3.50    (#    632:15  Unique         2.59, 2.61 A)
 &rst
  ixpk= 632, nxpk= 15, iat= 487, 476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 ASN  HN           33 SER  HN          4.50    (#    633:15  Unique         2.59, 2.65 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 462, 476, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 ASP  HN           53 ASN  HN          4.50    (#    634:15  Unique         2.34, 2.41 A)
 &rst
  ixpk= 634, nxpk= 15, iat= 767, 779, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 ARG  HN           53 ASN  HN          4.50    (#    635:15  Unique         2.53, 2.67 A)
 &rst
  ixpk= 635, nxpk= 15, iat= 793, 779, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 SER  HN           35 TYR  HN          4.50    (#    637:15  Unique         2.16, 2.18 A)
 &rst
  ixpk= 637, nxpk= 15, iat= 527, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 LEU  HN           35 TYR  HN          3.50    (#    638:15  Unique         2.47, 2.48 A)
 &rst
  ixpk= 638, nxpk= 15, iat= 487, 506, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 VAL  HN            9 ASN  HN          5.50    (#    639:15  Unique         2.05, 2.73 A)
 &rst
  ixpk= 639, nxpk= 15, iat= 127, 113, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HN           48 HIS  HN          4.50    (#    641:15  Unique         2.90, 2.91 A)
 &rst
  ixpk= 641, nxpk= 15, iat= 672, 693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 GLU  HB-          16 VAL  HN          7.00    (#    642:15  Unique         6.37, 7.35 A)
 &rst
  ixpk= 642, nxpk= 15, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 392, 393,
 &end
#
#    0 AMB  15-2:643     33 SER  HN          5.50    (#    643:15  Single Ambig)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 435, 436, 437, 439, 440, 441, 621, 622,
 &end
#
#   31 MET  HB+          33 SER  HN          7.00    (#    644:15  Unique         5.51, 5.67 A)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 449, 450,
 &end
#
#   19 VAL  HA           21 GLU  HN          7.00    (#    646:15  Unique         3.87, 4.18 A)
 &rst
  ixpk= 646, nxpk= 15, iat= 266, 291, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   19 VAL  HN           21 GLU  HN          5.50    (#    647:15  Unique         4.00, 4.28 A)
 &rst
  ixpk= 647, nxpk= 15, iat= 264, 291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 CYS  HN           21 GLU  HN          4.50    (#    648:15  Unique         2.41, 2.59 A)
 &rst
  ixpk= 648, nxpk= 15, iat= 280, 291, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HA           51 ILE  HN          7.00    (#    649:15  Unique         5.45, 5.47 A)
 &rst
  ixpk= 649, nxpk= 15, iat= 674, 748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   53 ASN  HN           51 ILE  HN          7.00    (#    650:15  Unique         3.86, 3.90 A)
 &rst
  ixpk= 650, nxpk= 15, iat= 779, 748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   18 GLU  HB+          20 CYS  HN          5.50    (#    651:15  Unique         4.68, 5.08 A)
 &rst
  ixpk= 651, nxpk= 15, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 253, 254,
 &end
#
#   22 LYS  HN           20 CYS  HN          5.50    (#    652:15  Unique         3.68, 3.78 A)
 &rst
  ixpk= 652, nxpk= 15, iat= 306, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 ASP  HA            9 ASN  HN          7.00    (#    653:15  Unique         3.39, 3.79 A)
 &rst
  ixpk= 653, nxpk= 15, iat=  93, 113, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   38 ASP  HB+          40 GLN  HN          7.00    (#    654:15  Unique         2.10, 2.87 A)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 549, 550,
 &end
#
#   38 ASP  HB-          40 GLN  HN          5.50    (#    655:15  Unique         2.10, 2.87 A)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 549, 550,
 &end
#
#   41 ASP  HN           40 GLN  HN          3.50    (#    657:15  Unique         2.39, 2.49 A)
 &rst
  ixpk= 657, nxpk= 15, iat= 588, 571, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 TYR  HN           36 SER  HN          3.50    (#    658:15  Unique         2.16, 2.18 A)
 &rst
  ixpk= 658, nxpk= 15, iat= 506, 527, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 GLY  HN           36 SER  HN          4.50    (#    659:15  Unique         2.56, 2.57 A)
 &rst
  ixpk= 659, nxpk= 15, iat= 538, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 LEU  HN           36 SER  HN          5.50    (#    660:15  Unique         3.56, 3.58 A)
 &rst
  ixpk= 660, nxpk= 15, iat= 487, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 PHE  HB-          25 CYS  HN          7.00    (#    662:15  Unique         2.70, 3.57 A)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1, 363, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 332, 333,
 &end
#
#   20 CYS  HB-          25 CYS  HN          7.00    (#    663:15  Unique         4.42, 5.37 A)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 363, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 284, 285,
 &end
#
#   24 GLU  HN           25 CYS  HN          4.50    (#    664:15  Unique         2.61, 2.67 A)
 &rst
  ixpk= 664, nxpk= 15, iat= 348, 363, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:665     25 CYS  HN          5.50    (#    665:15  Single Ambig)
 &rst
  ixpk= 665, nxpk= 15, iat=  -1, 363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 374, 280,
 &end
#
#   43 LEU  MDY          23 PHE  HN          7.00    (#    666:15  Unique         4.18, 6.28 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  15-2:667     23 PHE  HN          5.50    (#    667:15  Single Ambig)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 298, 299, 295, 296, 295, 296, 355, 356,
 &end
#
#   23 PHE  HE           23 PHE  HN          7.00    (#    668:15  Unique         5.01, 6.63 A)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 338, 342,
 &end
#
#   23 PHE  HD           23 PHE  HN          4.50    (#    669:15  Unique         2.63, 4.46 A)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#   24 GLU  HN           23 PHE  HN          3.50    (#    670:15  Unique         2.04, 2.40 A)
 &rst
  ixpk= 670, nxpk= 15, iat= 348, 328, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 LYS  HN           23 PHE  HN          3.50    (#    671:15  Unique         2.38, 2.76 A)
 &rst
  ixpk= 671, nxpk= 15, iat= 306, 328, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 GLU  HN           23 PHE  HN          5.50    (#    672:15  Unique         3.92, 4.45 A)
 &rst
  ixpk= 672, nxpk= 15, iat= 291, 328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 GLU  HA           16 VAL  HN          7.00    (#    676:15  Unique         4.25, 4.59 A)
 &rst
  ixpk= 676, nxpk= 15, iat= 188, 211, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   34 LEU  MDY          33 SER  HN          7.00    (#    677:15  Unique         4.45, 5.81 A)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  15-2:678     36 SER  HN          7.00    (#    678:15  Single Ambig)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 494, 640, 641, 642,
 &end
#
#   34 LEU  HB+          36 SER  HN          7.00    (#    679:15  Unique         4.65, 5.06 A)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 491, 492,
 &end
#
#   29 GLU  HN           28 SER  HN          4.50    (#    682:15  Unique         2.43, 2.58 A)
 &rst
  ixpk= 682, nxpk= 15, iat= 414, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 GLU  HN           28 SER  HN          4.50    (#    683:15  Unique         2.65, 2.73 A)
 &rst
  ixpk= 683, nxpk= 15, iat= 388, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 SER  HN           37 GLY  HN          5.50    (#    684:15  Unique         2.56, 2.57 A)
 &rst
  ixpk= 684, nxpk= 15, iat= 527, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:685     26 THR  HN          5.50    (#    685:15  Single Ambig)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 414, 429,
 &end
#
#   35 TYR  HA           37 GLY  HN          7.00    (#    688:15  Unique         5.18, 5.19 A)
 &rst
  ixpk= 688, nxpk= 15, iat= 508, 538, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   51 ILE  HN           53 ASN  HN          5.50    (#    690:15  Unique         3.86, 3.90 A)
 &rst
  ixpk= 690, nxpk= 15, iat= 748, 779, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   10 VAL  MGY           9 ASN  HN          7.00    (#    695:15  Unique         3.56, 5.71 A)
 &rst
  ixpk= 695, nxpk= 15, iat=  -1, 113, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 133, 134, 135, 137, 138, 139,
 &end
#
#    7 ASP  HB-           9 ASN  HN          7.00    (#    696:15  Unique         2.63, 4.69 A)
 &rst
  ixpk= 696, nxpk= 15, iat=  -1, 113, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  95,  96,
 &end
#
#   25 CYS  HN           24 GLU  HN          3.50    (#    697:15  Unique         2.61, 2.67 A)
 &rst
  ixpk= 697, nxpk= 15, iat= 363, 348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 PHE  HN           24 GLU  HN          3.50    (#    698:15  Unique         2.04, 2.40 A)
 &rst
  ixpk= 698, nxpk= 15, iat= 328, 348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HN           11 ILE  HN          5.50    (#    702:15  Unique         4.29, 4.44 A)
 &rst
  ixpk= 702, nxpk= 15, iat= 162, 143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 LEU  MDX          12 ASP  HN          7.00    (#    703:15  Unique         6.13, 7.65 A)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#   13 ASP  HN           12 ASP  HN          5.50    (#    704:15  Unique         4.24, 4.27 A)
 &rst
  ixpk= 704, nxpk= 15, iat= 174, 162, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:705     13 ASP  HN          5.50    (#    705:15  Single Ambig)
 &rst
  ixpk= 705, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 201, 162,
 &end
#
#    0 AMB  15-2:706     13 ASP  HN          7.00    (#    706:15  Single Ambig)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 205, 206, 207, 153, 154,
 &end
#
#   19 VAL  HN           17 LYS  HN          5.50    (#    707:15  Unique         3.86, 4.09 A)
 &rst
  ixpk= 707, nxpk= 15, iat= 264, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 VAL  HN           18 GLU  HN          3.50    (#    708:15  Unique         2.46, 2.55 A)
 &rst
  ixpk= 708, nxpk= 15, iat= 264, 249, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 LYS  HG+          18 GLU  HN          7.00    (#    709:15  Unique         4.39, 4.93 A)
 &rst
  ixpk= 709, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 234, 235,
 &end
#
#   15 ALA  HN           17 LYS  HN          7.00    (#    710:15  Unique         3.83, 3.96 A)
 &rst
  ixpk= 710, nxpk= 15, iat= 201, 227, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:711     18 GLU  HN          5.50    (#    711:15  Single Ambig)
 &rst
  ixpk= 711, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 280, 201,
 &end
#
#   50 ILE  QG2          18 GLU  HN          7.00    (#    712:15  Unique         4.79, 5.44 A)
 &rst
  ixpk= 712, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 735, 736, 737,
 &end
#
#   19 VAL  MGX          18 GLU  HN          7.00    (#    713:15  Unique         3.57, 5.04 A)
 &rst
  ixpk= 713, nxpk= 15, iat=  -1, 249, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   47 TYR  HA           19 VAL  HN          7.00    (#    714:15  Unique         4.56, 4.69 A)
 &rst
  ixpk= 714, nxpk= 15, iat= 674, 264, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   19 VAL  MGY          21 GLU  HN          7.00    (#    715:15  Unique         4.76, 6.11 A)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1, 291, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   34 LEU  MDY          47 TYR  HN          7.00    (#    716:15  Unique         5.07, 6.72 A)
 &rst
  ixpk= 716, nxpk= 15, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#   22 LYS  HB-          22 LYS  HN          3.50    (#    717:15  Unique         2.13, 2.67 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   22 LYS  HG+          23 PHE  HN          7.00    (#    718:15  Unique         3.40, 4.34 A)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 313, 314,
 &end
#
#   10 VAL  MGY          10 VAL  HN          4.50    (#    719:15  Unique         2.01, 3.41 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 133, 134, 135, 137, 138, 139,
 &end
#
#   22 LYS  HD-          24 GLU  HN          7.00    (#    720:15  Unique         5.52, 6.75 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 316, 317,
 &end
#
#   24 GLU  HA           24 GLU  HN          2.80    (#    721:15  Unique         2.27, 2.28 A)
 &rst
  ixpk= 721, nxpk= 15, iat= 350, 348, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 CYS  HN           26 THR  HN          5.50    (#    723:15  Unique         4.39, 4.44 A)
 &rst
  ixpk= 723, nxpk= 15, iat= 363, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:724     26 THR  HN          7.00    (#    724:15  Single Ambig)
 &rst
  ixpk= 724, nxpk= 15, iat=  -1, 374, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
       631, 632,
 &end
#
#   27 GLU  HG-          27 GLU  HN          5.50    (#    725:15  Unique         1.97, 2.63 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1, 388, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 395, 396,
 &end
#
#   30 VAL  HA           29 GLU  HN          7.00    (#    726:15  Unique         5.00, 5.24 A)
 &rst
  ixpk= 726, nxpk= 15, iat= 431, 414, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:727     30 VAL  HN          7.00    (#    727:15  Single Ambig)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 407, 408, 407, 408, 447,
 &end
#
#   31 MET  HG-          30 VAL  HN          7.00    (#    728:15  Unique         3.58, 4.30 A)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 452, 453,
 &end
#
#    0 AMB  15-2:729     56 ILE  HN          7.00    (#    729:15  Single Ambig)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 841, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 824, 825, 824, 825,
 &end
#
#   46 ALA  HN           48 HIS  HN          7.00    (#    730:15  Unique         4.70, 4.72 A)
 &rst
  ixpk= 730, nxpk= 15, iat= 662, 693, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:731      0 AMB  15-1:731    3.50    (#    731:15  Double Ambig)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 466, 467, 676, 677,
 igr2= 462, 693,
 &end
#
#   32 ASN  HB+          33 SER  HN          4.50    (#    732:15  Unique         2.70, 3.36 A)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 466, 467,
 &end
#
#   30 VAL  HA           34 LEU  HN          7.00    (#    733:15  Unique         5.08, 5.20 A)
 &rst
  ixpk= 733, nxpk= 15, iat= 431, 487, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   36 SER  HN           34 LEU  HN          5.50    (#    735:15  Unique         3.56, 3.58 A)
 &rst
  ixpk= 735, nxpk= 15, iat= 527, 487, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 LEU  MDX          33 SER  HN          7.00    (#    737:15  Unique         4.45, 5.81 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  15-2:739     33 SER  HN          5.50    (#    739:15  Single Ambig)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 621, 622, 418, 419, 449, 450,
 &end
#
#   36 SER  HN           33 SER  HN          5.50    (#    740:15  Unique         4.70, 4.73 A)
 &rst
  ixpk= 740, nxpk= 15, iat= 527, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 LEU  MDX          35 TYR  HN          7.00    (#    743:15  Unique         4.88, 5.58 A)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#   33 SER  HA           35 TYR  HN          7.00    (#    747:15  Unique         4.07, 4.13 A)
 &rst
  ixpk= 747, nxpk= 15, iat= 478, 506, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   35 TYR  HN           37 GLY  HN          5.50    (#    749:15  Unique         4.52, 4.56 A)
 &rst
  ixpk= 749, nxpk= 15, iat= 506, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 SER  HB-          36 SER  HN          4.50    (#    750:15  Unique         2.53, 2.68 A)
 &rst
  ixpk= 750, nxpk= 15, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 531, 532,
 &end
#
#   34 LEU  HN           37 GLY  HN          5.50    (#    751:15  Unique         4.95, 4.97 A)
 &rst
  ixpk= 751, nxpk= 15, iat= 487, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 SER  HN           37 GLY  HN          7.00    (#    752:15  Unique         5.47, 5.48 A)
 &rst
  ixpk= 752, nxpk= 15, iat= 476, 538, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   36 SER  HN           38 ASP  HN          7.00    (#    753:15  Unique         6.07, 6.12 A)
 &rst
  ixpk= 753, nxpk= 15, iat= 527, 545, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   40 GLN  HN           38 ASP  HN          5.50    (#    754:15  Unique         4.49, 4.52 A)
 &rst
  ixpk= 754, nxpk= 15, iat= 571, 545, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:756     38 ASP  HN          7.00    (#    756:15  Single Ambig)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 590, 531, 532,
 &end
#
#   33 SER  HB-          38 ASP  HN          7.00    (#    758:15  Unique         5.54, 6.66 A)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 480, 481,
 &end
#
#   41 ASP  HN           38 ASP  HN          7.00    (#    760:15  Unique         4.24, 4.35 A)
 &rst
  ixpk= 760, nxpk= 15, iat= 588, 545, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   45 VAL  MGY          40 GLN  HN          7.00    (#    761:15  Unique         4.52, 6.65 A)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#   39 PRO  HA           40 GLN  HN          5.50    (#    762:15  Unique         3.39, 3.39 A)
 &rst
  ixpk= 762, nxpk= 15, iat= 567, 571, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 GLN  HG+          40 GLN  HN          5.50    (#    763:15  Unique         2.10, 3.01 A)
 &rst
  ixpk= 763, nxpk= 15, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 578, 579,
 &end
#
#   38 ASP  HN           40 GLN  HN          5.50    (#    764:15  Unique         4.49, 4.52 A)
 &rst
  ixpk= 764, nxpk= 15, iat= 545, 571, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 LEU  MDY          44 ALA  HN          7.00    (#    765:15  Unique         4.81, 5.68 A)
 &rst
  ixpk= 765, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   34 LEU  MDY          44 ALA  HN          7.00    (#    766:15  Unique         4.04, 6.32 A)
 &rst
  ixpk= 766, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  15-2:767     45 VAL  HN          7.00    (#    767:15  Single Ambig)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 714, 715, 564, 565,
 &end
#
#   19 VAL  MGY          45 VAL  HN          7.00    (#    768:15  Unique         6.15, 7.76 A)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   43 LEU  HG           45 VAL  HN          7.00    (#    769:15  Unique         5.85, 5.90 A)
 &rst
  ixpk= 769, nxpk= 15, iat= 624, 646, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:770     46 ALA  HN          5.50    (#    770:15  Single Ambig)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
       440, 441, 739, 740,
 &end
#
#   43 LEU  MDY          46 ALA  HN          7.00    (#    771:15  Unique         5.05, 6.98 A)
 &rst
  ixpk= 771, nxpk= 15, iat=  -1, 662, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   44 ALA  HN           46 ALA  HN          5.50    (#    772:15  Unique         4.45, 4.48 A)
 &rst
  ixpk= 772, nxpk= 15, iat= 636, 662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 LEU  HN           45 VAL  HN          5.50    (#    773:15  Unique         3.61, 3.67 A)
 &rst
  ixpk= 773, nxpk= 15, iat= 617, 646, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 PHE  HN           22 LYS  HN          4.50    (#    774:15  Unique         2.38, 2.76 A)
 &rst
  ixpk= 774, nxpk= 15, iat= 328, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ILE  HB           56 ILE  HN          5.50    (#    775:15  Unique         2.51, 2.56 A)
 &rst
  ixpk= 775, nxpk= 15, iat= 845, 841, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:776     32 ASN  HN          4.50    (#    776:15  Single Ambig)
 &rst
  ixpk= 776, nxpk= 15, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 449, 450, 433,
 &end
#
#    0 AMB  15-2:777      0 AMB  15-1:777    7.00    (#    777:15  Double Ambig)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 729, 414,
 igr2= 693, 462,
 &end
#
#    0 AMB  15-2:778      0 AMB  15-1:778    4.50    (#    778:15  Double Ambig)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 817, 476,
 igr2= 841, 462,
 &end
#
#   52 ASP  HN           49 LEU  HN          7.00    (#    779:15  Unique         4.76, 4.77 A)
 &rst
  ixpk= 779, nxpk= 15, iat= 767, 710, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   52 ASP  HN           50 ILE  HN          7.00    (#    781:15  Unique         3.71, 3.74 A)
 &rst
  ixpk= 781, nxpk= 15, iat= 767, 729, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   48 HIS  HN           50 ILE  HN          7.00    (#    782:15  Unique         4.00, 4.03 A)
 &rst
  ixpk= 782, nxpk= 15, iat= 693, 729, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   51 ILE  QD1          52 ASP  HN          7.00    (#    783:15  Unique         5.12, 5.70 A)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1, 767, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 761, 762, 763,
 &end
#
#    0 AMB  15-2:784     53 ASN  HN          7.00    (#    784:15  Single Ambig)
 &rst
  ixpk= 784, nxpk= 15, iat=  -1, 779, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725, 824, 825, 824, 825,
 &end
#
#   54 ARG  HD+          53 ASN  HN          7.00    (#    785:15  Unique         3.69, 4.69 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 803, 804,
 &end
#
#   54 ARG  HG-          54 ARG  HN          7.00    (#    786:15  Unique         1.99, 3.46 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 800, 801,
 &end
#
#   52 ASP  HA           54 ARG  HN          7.00    (#    787:15  Unique         3.65, 3.71 A)
 &rst
  ixpk= 787, nxpk= 15, iat= 769, 793, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:788     54 ARG  HN          7.00    (#    788:15  Single Ambig)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 864, 865, 864, 865,
 &end
#
#   23 PHE  HB+          24 GLU  HN          5.50    (#    789:15  Unique         3.29, 3.81 A)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 332, 333,
 &end
#
#    0 AMB  15-2:790     59 GLN  HN          5.50    (#    790:15  Single Ambig)
 &rst
  ixpk= 790, nxpk= 15, iat=  -1, 891, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 895, 896, 864, 865,
 &end
#
#   59 GLN  HA           59 GLN  HN          5.50    (#    791:15  Unique         2.76, 2.87 A)
 &rst
  ixpk= 791, nxpk= 15, iat= 893, 891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 GLU  HN           61 SER  HN          7.00    (#    793:15  Unique         4.28, 4.48 A)
 &rst
  ixpk= 793, nxpk= 15, iat= 929, 918, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   61 SER  HN           62 GLU  HN          5.50    (#    794:15  Unique         4.28, 4.48 A)
 &rst
  ixpk= 794, nxpk= 15, iat= 918, 929, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 VAL  HN           16 VAL  HA          5.50    (#      0:25  Unique         3.53, 3.60 A)
 &rst
  ixpk= 0, nxpk= 25, iat= 264, 213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 VAL  HN           16 VAL  HA          3.50    (#      1:25  Unique         2.76, 2.80 A)
 &rst
  ixpk= 1, nxpk= 25, iat= 211, 213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 LYS  HN           16 VAL  HA          5.50    (#      2:25  Unique         3.45, 3.48 A)
 &rst
  ixpk= 2, nxpk= 25, iat= 227, 213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 TYR  HD           16 VAL  HA          5.50    (#      3:25  Unique         2.99, 5.36 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 680, 689,
 &end
#
#    0 AMB  25-2:4       30 VAL  HA          5.50    (#      4:25  Single Ambig)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 445, 462,
 &end
#
#   30 VAL  HN           30 VAL  HA          4.50    (#      5:25  Unique         2.80, 2.86 A)
 &rst
  ixpk= 5, nxpk= 25, iat= 429, 431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 SER  HB-          30 VAL  HA          4.50    (#      6:25  Unique         2.76, 3.64 A)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480, 481,
 &end
#
#   52 ASP  HN           51 ILE  HA          5.50    (#      7:25  Unique         3.49, 3.49 A)
 &rst
  ixpk= 7, nxpk= 25, iat= 767, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 ILE  HN           51 ILE  HA          4.50    (#      8:25  Unique         2.88, 2.88 A)
 &rst
  ixpk= 8, nxpk= 25, iat= 748, 750, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 GLU  HN           27 GLU  HA          4.50    (#      9:25  Unique         2.76, 2.78 A)
 &rst
  ixpk= 9, nxpk= 25, iat= 388, 390, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:10      27 GLU  HA          5.50    (#     10:25  Single Ambig)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 403, 445,
 &end
#
#    0 AMB  25-2:11      27 GLU  HA          4.50    (#     11:25  Single Ambig)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 429, 414,
 &end
#
#   12 ASP  HN           12 ASP  HB-         3.50    (#     14:25  Unique         2.41, 2.61 A)
 &rst
  ixpk= 14, nxpk= 25, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 166, 167,
 &end
#
#   12 ASP  HN           12 ASP  HB+         3.50    (#     16:25  Unique         2.41, 2.61 A)
 &rst
  ixpk= 16, nxpk= 25, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 166, 167,
 &end
#
#   42 GLN  HN            0 AMB  25-1:19     5.50    (#     19:25  Single Ambig)
 &rst
  ixpk= 19, nxpk= 25, iat= 600,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 592, 593, 592, 593,
 &end
#
#   41 ASP  HA            0 AMB  25-1:20     2.80    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat= 590,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 592, 593, 592, 593,
 &end
#
#   43 LEU  HN            0 AMB  25-1:21     5.50    (#     21:25  Single Ambig)
 &rst
  ixpk= 21, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 592, 593, 592, 593,
 &end
#
#   41 ASP  HN            0 AMB  25-1:23     2.80    (#     23:25  Single Ambig)
 &rst
  ixpk= 23, nxpk= 25, iat= 588,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 592, 593, 592, 593,
 &end
#
#   49 LEU  HN           49 LEU  HB+         3.50    (#     24:25  Unique         2.11, 2.56 A)
 &rst
  ixpk= 24, nxpk= 25, iat= 710,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 714, 715,
 &end
#
#   50 ILE  HN           49 LEU  HB+         5.50    (#     25:25  Unique         3.12, 3.43 A)
 &rst
  ixpk= 25, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:26       0 AMB  25-1:26     3.50    (#     26:25  Double Ambig)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 664, 712,
 igr2= 714, 715, 714, 715,
 &end
#
#   49 LEU  HN           49 LEU  HB-         4.50    (#     27:25  Unique         2.11, 2.56 A)
 &rst
  ixpk= 27, nxpk= 25, iat= 710,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 714, 715,
 &end
#
#   50 ILE  HN           49 LEU  HB-         4.50    (#     28:25  Unique         3.12, 3.43 A)
 &rst
  ixpk= 28, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:29      49 LEU  HB-         3.50    (#     29:25  Single Ambig)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 664, 712,
 igr2= 714, 715,
 &end
#
#   38 ASP  HN           38 ASP  HB-         3.50    (#     30:25  Unique         2.23, 2.79 A)
 &rst
  ixpk= 30, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 549, 550,
 &end
#
#   38 ASP  HA           38 ASP  HB-         4.50    (#     31:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 31, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 549, 550,
 &end
#
#   38 ASP  HN           38 ASP  HB+         4.50    (#     32:25  Unique         2.23, 2.79 A)
 &rst
  ixpk= 32, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 549, 550,
 &end
#
#   38 ASP  HA           38 ASP  HB+         3.50    (#     33:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 33, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 549, 550,
 &end
#
#    7 ASP  HA            7 ASP  HB+         3.50    (#     34:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 34, nxpk= 25, iat=  93,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  95,  96,
 &end
#
#   13 ASP  HN            0 AMB  25-1:35     2.80    (#     35:25  Single Ambig)
 &rst
  ixpk= 35, nxpk= 25, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 178, 179, 178, 179,
 &end
#
#   14 GLU  HN            0 AMB  25-1:36     3.50    (#     36:25  Single Ambig)
 &rst
  ixpk= 36, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 178, 179, 178, 179,
 &end
#
#   13 ASP  HA            0 AMB  25-1:38     2.80    (#     38:25  Single Ambig)
 &rst
  ixpk= 38, nxpk= 25, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 178, 179, 178, 179,
 &end
#
#    7 ASP  HA            7 ASP  HB-         3.50    (#     39:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  93,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  95,  96,
 &end
#
#   34 LEU  HN           34 LEU  HB+         3.50    (#     40:25  Unique         2.64, 3.13 A)
 &rst
  ixpk= 40, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 491, 492,
 &end
#
#   35 TYR  HN           34 LEU  HB+         4.50    (#     41:25  Unique         2.68, 3.33 A)
 &rst
  ixpk= 41, nxpk= 25, iat= 506,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 491, 492,
 &end
#
#   34 LEU  HA           34 LEU  HB+         3.50    (#     42:25  Unique         2.35, 2.69 A)
 &rst
  ixpk= 42, nxpk= 25, iat= 489,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 491, 492,
 &end
#
#   34 LEU  HN           34 LEU  HB-         4.50    (#     43:25  Unique         2.64, 3.13 A)
 &rst
  ixpk= 43, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 491, 492,
 &end
#
#   34 LEU  HA           34 LEU  HB-         3.50    (#     44:25  Unique         2.35, 2.69 A)
 &rst
  ixpk= 44, nxpk= 25, iat= 489,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 491, 492,
 &end
#
#   52 ASP  HN           52 ASP  HB+         3.50    (#     45:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 45, nxpk= 25, iat= 767,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 771, 772,
 &end
#
#   53 ASN  HN           52 ASP  HB+         4.50    (#     46:25  Unique         2.69, 3.27 A)
 &rst
  ixpk= 46, nxpk= 25, iat= 779,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 771, 772,
 &end
#
#   53 ASN  HN           52 ASP  HB-         4.50    (#     47:25  Unique         2.69, 3.27 A)
 &rst
  ixpk= 47, nxpk= 25, iat= 779,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 771, 772,
 &end
#
#   52 ASP  HA           52 ASP  HB-         3.50    (#     48:25  Unique         2.62, 2.81 A)
 &rst
  ixpk= 48, nxpk= 25, iat= 769,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 771, 772,
 &end
#
#   52 ASP  HN           52 ASP  HB-         4.50    (#     49:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 49, nxpk= 25, iat= 767,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 771, 772,
 &end
#
#   49 LEU  HA           52 ASP  HB-         4.50    (#     50:25  Unique         3.29, 3.55 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 771, 772,
 &end
#
#   43 LEU  HN           43 LEU  HB+         4.50    (#     51:25  Unique         2.35, 2.99 A)
 &rst
  ixpk= 51, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 621, 622,
 &end
#
#   44 ALA  HN           43 LEU  HB+         4.50    (#     52:25  Unique         2.51, 3.12 A)
 &rst
  ixpk= 52, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 621, 622,
 &end
#
#   43 LEU  HN           43 LEU  HB-         5.50    (#     53:25  Unique         2.35, 2.99 A)
 &rst
  ixpk= 53, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 621, 622,
 &end
#
#   52 ASP  HA           52 ASP  HB+         3.50    (#     54:25  Unique         2.62, 2.81 A)
 &rst
  ixpk= 54, nxpk= 25, iat= 769,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 771, 772,
 &end
#
#   49 LEU  HA           52 ASP  HB+         4.50    (#     55:25  Unique         3.29, 3.55 A)
 &rst
  ixpk= 55, nxpk= 25, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 771, 772,
 &end
#
#   23 PHE  HN           23 PHE  HB+         4.50    (#     56:25  Unique         2.18, 2.72 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   23 PHE  HA           23 PHE  HB+         3.50    (#     58:25  Unique         2.61, 2.82 A)
 &rst
  ixpk= 58, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#    6 TYR  HA            6 TYR  HB+         3.50    (#     60:25  Unique         2.36, 2.69 A)
 &rst
  ixpk= 60, nxpk= 25, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  74,  75,
 &end
#
#    6 TYR  HA            6 TYR  HB-         3.50    (#     62:25  Unique         2.36, 2.69 A)
 &rst
  ixpk= 62, nxpk= 25, iat=  72,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  74,  75,
 &end
#
#   58 ASN  HA           58 ASN  HB+         4.50    (#     63:25  Unique         2.31, 2.73 A)
 &rst
  ixpk= 63, nxpk= 25, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 881, 882,
 &end
#
#   23 PHE  HN           23 PHE  HB-         3.50    (#     64:25  Unique         2.18, 2.72 A)
 &rst
  ixpk= 64, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   23 PHE  HD           23 PHE  HB-         7.00    (#     65:25  Unique         2.28, 3.04 A)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 336, 344,
 igr2= 332, 333,
 &end
#
#   23 PHE  HA           23 PHE  HB-         4.50    (#     66:25  Unique         2.61, 2.82 A)
 &rst
  ixpk= 66, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#    9 ASN  HN            9 ASN  HB-         4.50    (#     67:25  Unique         2.23, 2.67 A)
 &rst
  ixpk= 67, nxpk= 25, iat= 113,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 117, 118,
 &end
#
#   10 VAL  HN            9 ASN  HB-         4.50    (#     68:25  Unique         2.01, 3.12 A)
 &rst
  ixpk= 68, nxpk= 25, iat= 127,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 117, 118,
 &end
#
#    9 ASN  HD2+          9 ASN  HB-         3.50    (#     69:25  Unique         2.11, 3.23 A)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 122, 123,
 igr2= 117, 118,
 &end
#
#    0 AMB  25-2:70       0 AMB  25-1:70     2.80    (#     70:25  Double Ambig)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 879, 115,
 igr2= 881, 882, 117, 118,
 &end
#
#   48 HIS  HN           47 TYR  HB+         4.50    (#     71:25  Unique         2.45, 3.16 A)
 &rst
  ixpk= 71, nxpk= 25, iat= 693,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 676, 677,
 &end
#
#   44 ALA  HA           47 TYR  HB+         3.50    (#     72:25  Unique         3.60, 3.69 A)
 &rst
  ixpk= 72, nxpk= 25, iat= 638,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 676, 677,
 &end
#
#   47 TYR  HN           47 TYR  HB+         3.50    (#     73:25  Unique         2.41, 2.53 A)
 &rst
  ixpk= 73, nxpk= 25, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 676, 677,
 &end
#
#   47 TYR  HD           47 TYR  HB+         3.50    (#     74:25  Unique         2.30, 3.05 A)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 680, 689,
 igr2= 676, 677,
 &end
#
#   54 ARG  HN           53 ASN  HB-         5.50    (#     75:25  Unique         3.00, 3.51 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 793,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 783, 784,
 &end
#
#   53 ASN  HN           53 ASN  HB-         3.50    (#     76:25  Unique         2.19, 2.69 A)
 &rst
  ixpk= 76, nxpk= 25, iat= 779,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   53 ASN  HA           53 ASN  HB-         3.50    (#     78:25  Unique         2.37, 2.78 A)
 &rst
  ixpk= 78, nxpk= 25, iat= 781,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   47 TYR  HN           47 TYR  HB-         3.50    (#     81:25  Unique         2.41, 2.53 A)
 &rst
  ixpk= 81, nxpk= 25, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 676, 677,
 &end
#
#   47 TYR  HD           47 TYR  HB-         3.50    (#     82:25  Unique         2.30, 3.05 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 680, 689,
 igr2= 676, 677,
 &end
#
#   44 ALA  HA           47 TYR  HB-         4.50    (#     83:25  Unique         3.60, 3.69 A)
 &rst
  ixpk= 83, nxpk= 25, iat= 638,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 676, 677,
 &end
#
#   53 ASN  HA           56 ILE  HB          5.50    (#     85:25  Unique         2.00, 2.14 A)
 &rst
  ixpk= 85, nxpk= 25, iat= 781, 845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 ILE  HA           56 ILE  HB          4.50    (#     86:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 86, nxpk= 25, iat= 843, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 GLU  HA           32 ASN  HB-         4.50    (#     87:25  Unique         2.38, 3.20 A)
 &rst
  ixpk= 87, nxpk= 25, iat= 416,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 466, 467,
 &end
#
#   32 ASN  HN           32 ASN  HB+         3.50    (#     88:25  Unique         2.32, 2.54 A)
 &rst
  ixpk= 88, nxpk= 25, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 466, 467,
 &end
#
#   29 GLU  HA           32 ASN  HB+         4.50    (#     90:25  Unique         2.38, 3.20 A)
 &rst
  ixpk= 90, nxpk= 25, iat= 416,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 466, 467,
 &end
#
#   29 GLU  HN            0 AMB  25-1:91     2.80    (#     91:25  Single Ambig)
 &rst
  ixpk= 91, nxpk= 25, iat= 414,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 421, 422, 421, 422,
 &end
#
#   29 GLU  HA            0 AMB  25-1:92     2.80    (#     92:25  Single Ambig)
 &rst
  ixpk= 92, nxpk= 25, iat= 416,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 421, 422, 421, 422,
 &end
#
#   50 ILE  HN           50 ILE  HB          2.80    (#     93:25  Unique         2.48, 2.49 A)
 &rst
  ixpk= 93, nxpk= 25, iat= 729, 733, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 ILE  HN           50 ILE  HB          3.50    (#     94:25  Unique         2.82, 2.87 A)
 &rst
  ixpk= 94, nxpk= 25, iat= 748, 733, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 TYR  HN           35 TYR  HB+         4.50    (#     95:25  Unique         2.52, 2.76 A)
 &rst
  ixpk= 95, nxpk= 25, iat= 506,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 510, 511,
 &end
#
#   35 TYR  HA           35 TYR  HB+         3.50    (#     97:25  Unique         2.56, 2.81 A)
 &rst
  ixpk= 97, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 510, 511,
 &end
#
#   32 ASN  HN           32 ASN  HB-         3.50    (#     98:25  Unique         2.32, 2.54 A)
 &rst
  ixpk= 98, nxpk= 25, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 466, 467,
 &end
#
#   32 ASN  HA           32 ASN  HB-         3.50    (#    100:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 466, 467,
 &end
#
#   35 TYR  HN           35 TYR  HB-         3.50    (#    101:25  Unique         2.52, 2.76 A)
 &rst
  ixpk= 101, nxpk= 25, iat= 506,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 510, 511,
 &end
#
#   35 TYR  HA           35 TYR  HB-         3.50    (#    103:25  Unique         2.56, 2.81 A)
 &rst
  ixpk= 103, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 510, 511,
 &end
#
#   32 ASN  HA           32 ASN  HB+         3.50    (#    104:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 104, nxpk= 25, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 466, 467,
 &end
#
#   33 SER  HN           32 ASN  HB+         4.50    (#    105:25  Unique         2.70, 3.36 A)
 &rst
  ixpk= 105, nxpk= 25, iat= 476,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 466, 467,
 &end
#
#   11 ILE  HN           11 ILE  HB          3.50    (#    106:25  Unique         2.50, 2.63 A)
 &rst
  ixpk= 106, nxpk= 25, iat= 143, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 ILE  HA           11 ILE  HB          4.50    (#    107:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 107, nxpk= 25, iat= 145, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 GLU  HA           24 GLU  HG+         3.50    (#    108:25  Unique         2.17, 2.65 A)
 &rst
  ixpk= 108, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 355, 356,
 &end
#
#   24 GLU  HN           24 GLU  HG+         5.50    (#    109:25  Unique         3.92, 4.47 A)
 &rst
  ixpk= 109, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 355, 356,
 &end
#
#   24 GLU  HN           24 GLU  HG-         4.50    (#    110:25  Unique         3.92, 4.47 A)
 &rst
  ixpk= 110, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 355, 356,
 &end
#
#   24 GLU  HA           24 GLU  HG-         4.50    (#    111:25  Unique         2.17, 2.65 A)
 &rst
  ixpk= 111, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 355, 356,
 &end
#
#   14 GLU  HN           14 GLU  HG+         4.50    (#    112:25  Unique         2.12, 2.71 A)
 &rst
  ixpk= 112, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 193, 194,
 &end
#
#   14 GLU  HA           14 GLU  HG+         4.50    (#    113:25  Unique         2.28, 3.00 A)
 &rst
  ixpk= 113, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 193, 194,
 &end
#
#   27 GLU  HN           27 GLU  HG+         4.50    (#    114:25  Unique         1.97, 2.63 A)
 &rst
  ixpk= 114, nxpk= 25, iat= 388,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 395, 396,
 &end
#
#   14 GLU  HN           14 GLU  HG-         4.50    (#    115:25  Unique         2.12, 2.71 A)
 &rst
  ixpk= 115, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 193, 194,
 &end
#
#   14 GLU  HA           14 GLU  HG-         4.50    (#    116:25  Unique         2.28, 3.00 A)
 &rst
  ixpk= 116, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 193, 194,
 &end
#
#   52 ASP  HN           51 ILE  HB          4.50    (#    117:25  Unique         2.79, 2.85 A)
 &rst
  ixpk= 117, nxpk= 25, iat= 767, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 ILE  HN           51 ILE  HB          3.50    (#    118:25  Unique         2.73, 2.74 A)
 &rst
  ixpk= 118, nxpk= 25, iat= 748, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 HIS  HA           51 ILE  HB          4.50    (#    119:25  Unique         2.88, 2.92 A)
 &rst
  ixpk= 119, nxpk= 25, iat= 695, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:120      0 AMB  25-1:120    3.50    (#    120:25  Double Ambig)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 291, 249,
 igr2= 298, 299, 256, 257,
 &end
#
#   18 GLU  HA            0 AMB  25-1:121    3.50    (#    121:25  Single Ambig)
 &rst
  ixpk= 121, nxpk= 25, iat= 251,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 298, 299, 256, 257,
 &end
#
#   17 LYS  HN           27 GLU  HG-         5.50    (#    122:25  Unique         4.61, 5.86 A)
 &rst
  ixpk= 122, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 395, 396,
 &end
#
#    0 AMB  25-2:124      0 AMB  25-1:124    5.50    (#    124:25  Double Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 291, 249,
 igr2= 298, 299, 256, 257,
 &end
#
#    0 AMB  25-2:125      0 AMB  25-1:125    5.50    (#    125:25  Double Ambig)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 291, 249,
 igr2= 298, 299, 256, 257,
 &end
#
#    0 AMB  25-2:126      0 AMB  25-1:126    4.50    (#    126:25  Double Ambig)
 &rst
  ixpk= 126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 251, 931,
 igr2= 298, 299, 936, 937, 936, 937,
 &end
#
#   40 GLN  HN           40 GLN  HG+         5.50    (#    127:25  Unique         2.10, 3.01 A)
 &rst
  ixpk= 127, nxpk= 25, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 578, 579,
 &end
#
#   40 GLN  HA           40 GLN  HG+         4.50    (#    128:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 128, nxpk= 25, iat= 573,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 578, 579,
 &end
#
#   40 GLN  HN           40 GLN  HG-         5.50    (#    129:25  Unique         2.10, 3.01 A)
 &rst
  ixpk= 129, nxpk= 25, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 578, 579,
 &end
#
#   40 GLN  HA           40 GLN  HG-         4.50    (#    130:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 130, nxpk= 25, iat= 573,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 578, 579,
 &end
#
#   42 GLN  HN           42 GLN  HG+         5.50    (#    131:25  Unique         2.31, 3.20 A)
 &rst
  ixpk= 131, nxpk= 25, iat= 600,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 607, 608,
 &end
#
#   42 GLN  HA           42 GLN  HG+         5.50    (#    132:25  Unique         3.14, 3.82 A)
 &rst
  ixpk= 132, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 607, 608,
 &end
#
#   23 PHE  HD           42 GLN  HG+         7.00    (#    133:25  Unique         3.34, 5.13 A)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 336, 344,
 igr2= 607, 608,
 &end
#
#   42 GLN  HN           42 GLN  HG-         5.50    (#    134:25  Unique         2.31, 3.20 A)
 &rst
  ixpk= 134, nxpk= 25, iat= 600,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 607, 608,
 &end
#
#   23 PHE  HD           42 GLN  HG-         7.00    (#    135:25  Unique         3.34, 5.13 A)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 336, 344,
 igr2= 607, 608,
 &end
#
#   42 GLN  HA           42 GLN  HG-         5.50    (#    136:25  Unique         3.14, 3.82 A)
 &rst
  ixpk= 136, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 607, 608,
 &end
#
#    4 MET  HA            4 MET  HB-         4.50    (#    137:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 137, nxpk= 25, iat=  44,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  46,  47,
 &end
#
#   22 LYS  HN           22 LYS  HB+         3.50    (#    138:25  Unique         2.13, 2.67 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#   23 PHE  HN           22 LYS  HB+         5.50    (#    140:25  Unique         1.95, 2.76 A)
 &rst
  ixpk= 140, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 310, 311,
 &end
#
#   22 LYS  HA           22 LYS  HB+         3.50    (#    141:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 141, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#   23 PHE  HN           22 LYS  HB-         4.50    (#    142:25  Unique         1.95, 2.76 A)
 &rst
  ixpk= 142, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 310, 311,
 &end
#
#   22 LYS  HN           22 LYS  HB-         4.50    (#    143:25  Unique         2.13, 2.67 A)
 &rst
  ixpk= 143, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 310, 311,
 &end
#
#   22 LYS  HA           22 LYS  HB-         3.50    (#    145:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 145, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 310, 311,
 &end
#
#    0 AMB  25-2:146      0 AMB  25-1:146    5.50    (#    146:25  Double Ambig)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 143, 841,
 igr2= 131, 821, 822, 821, 822,
 &end
#
#    0 AMB  25-2:147      0 AMB  25-1:147    4.50    (#    147:25  Double Ambig)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 127, 817,
 igr2= 131, 821, 822, 821, 822,
 &end
#
#    0 AMB  25-2:148      0 AMB  25-1:148    3.50    (#    148:25  Double Ambig)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 819, 129,
 igr2= 821, 822, 821, 822, 131,
 &end
#
#   57 MET  HA           57 MET  HB+         4.50    (#    149:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 149, nxpk= 25, iat= 862,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 864, 865,
 &end
#
#   57 MET  HA           57 MET  HB-         4.50    (#    150:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 150, nxpk= 25, iat= 862,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 864, 865,
 &end
#
#    0 AMB  25-2:151     57 MET  HB-         5.50    (#    151:25  Single Ambig)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 860, 891,
 igr2= 864, 865,
 &end
#
#    0 AMB  25-2:152      0 AMB  25-1:152    5.50    (#    152:25  Double Ambig)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 447, 407, 408, 407, 408,
 igr2= 452, 453, 452, 453, 452, 453,
 &end
#
#    0 AMB  25-2:153     31 MET  HG-         3.50    (#    153:25  Single Ambig)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 462, 445,
 igr2= 452, 453,
 &end
#
#   28 SER  HA           31 MET  HG-         5.50    (#    154:25  Unique         2.07, 2.48 A)
 &rst
  ixpk= 154, nxpk= 25, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 452, 453,
 &end
#
#   31 MET  HA           31 MET  HG-         4.50    (#    155:25  Unique         3.57, 3.78 A)
 &rst
  ixpk= 155, nxpk= 25, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 452, 453,
 &end
#
#    2 PRO  HA            2 PRO  HB+         4.50    (#    158:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 158, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  18,  19,
 &end
#
#   17 LYS  HN            0 AMB  25-1:159    2.80    (#    159:25  Single Ambig)
 &rst
  ixpk= 159, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 231, 232, 231, 232,
 &end
#
#   14 GLU  HA            0 AMB  25-1:160    3.50    (#    160:25  Single Ambig)
 &rst
  ixpk= 160, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 231, 232, 231, 232,
 &end
#
#   17 LYS  HA            0 AMB  25-1:161    2.80    (#    161:25  Single Ambig)
 &rst
  ixpk= 161, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  25-2:162      0 AMB  25-1:162    5.50    (#    162:25  Double Ambig)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1= 617, 186, 710,
 igr2= 650, 231, 232, 231, 232,
 &end
#
#   46 ALA  HN           45 VAL  HB          3.50    (#    164:25  Unique         2.36, 2.38 A)
 &rst
  ixpk= 164, nxpk= 25, iat= 662, 650, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 GLN  HA           45 VAL  HB          3.50    (#    166:25  Unique         3.14, 3.32 A)
 &rst
  ixpk= 166, nxpk= 25, iat= 602, 650, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 VAL  HN           45 VAL  HB          3.50    (#    167:25  Unique         2.49, 2.50 A)
 &rst
  ixpk= 167, nxpk= 25, iat= 646, 650, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:168      0 AMB  25-1:168    4.50    (#    168:25  Double Ambig)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 462, 445,
 igr2= 452, 453, 452, 453,
 &end
#
#   26 THR  HN           25 CYS  HB+         3.50    (#    169:25  Unique         1.95, 2.86 A)
 &rst
  ixpk= 169, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 367, 368,
 &end
#
#   25 CYS  HA           25 CYS  HB+         3.50    (#    170:25  Unique         2.40, 2.68 A)
 &rst
  ixpk= 170, nxpk= 25, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 367, 368,
 &end
#
#   26 THR  HN           25 CYS  HB-         4.50    (#    171:25  Unique         1.95, 2.86 A)
 &rst
  ixpk= 171, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 367, 368,
 &end
#
#   25 CYS  HN           25 CYS  HB-         4.50    (#    172:25  Unique         2.28, 3.09 A)
 &rst
  ixpk= 172, nxpk= 25, iat= 363,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 367, 368,
 &end
#
#   25 CYS  HA           25 CYS  HB-         3.50    (#    173:25  Unique         2.40, 2.68 A)
 &rst
  ixpk= 173, nxpk= 25, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 367, 368,
 &end
#
#   20 CYS  HN           19 VAL  HB          5.50    (#    174:25  Unique         3.77, 3.89 A)
 &rst
  ixpk= 174, nxpk= 25, iat= 280, 268, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 VAL  HN           19 VAL  HB          3.50    (#    175:25  Unique         3.60, 3.61 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 264, 268, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 VAL  HN           16 VAL  HB          2.80    (#    176:25  Unique         2.62, 2.66 A)
 &rst
  ixpk= 176, nxpk= 25, iat= 211, 215, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 LYS  HN           16 VAL  HB          3.50    (#    177:25  Unique         2.77, 2.91 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 227, 215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 ASP  HA           16 VAL  HB          3.50    (#    178:25  Unique         2.28, 2.49 A)
 &rst
  ixpk= 178, nxpk= 25, iat= 176, 215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 MET  HN           30 VAL  HB          3.50    (#    179:25  Unique         2.04, 2.12 A)
 &rst
  ixpk= 179, nxpk= 25, iat= 445, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 VAL  HN           30 VAL  HB          3.50    (#    180:25  Unique         2.48, 2.49 A)
 &rst
  ixpk= 180, nxpk= 25, iat= 429, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 HIS  HA            3 HIS  HB+         4.50    (#    181:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 181, nxpk= 25, iat=  27,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  29,  30,
 &end
#
#   31 MET  HN           31 MET  HB+         3.50    (#    182:25  Unique         2.54, 3.10 A)
 &rst
  ixpk= 182, nxpk= 25, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 449, 450,
 &end
#
#   31 MET  HA           31 MET  HB+         4.50    (#    183:25  Unique         2.35, 2.45 A)
 &rst
  ixpk= 183, nxpk= 25, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 449, 450,
 &end
#
#    0 AMB  25-2:184      0 AMB  25-1:184    4.50    (#    184:25  Double Ambig)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 405, 145,
 igr2= 449, 450, 449, 450,
 &end
#
#   55 ARG  HN           54 ARG  HB+         3.50    (#    185:25  Unique         2.70, 3.31 A)
 &rst
  ixpk= 185, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   54 ARG  HN           54 ARG  HB+         3.50    (#    187:25  Unique         2.16, 2.96 A)
 &rst
  ixpk= 187, nxpk= 25, iat= 793,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   54 ARG  HA           54 ARG  HB+         3.50    (#    188:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 188, nxpk= 25, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   31 MET  HN           31 MET  HB-         4.50    (#    189:25  Unique         2.54, 3.10 A)
 &rst
  ixpk= 189, nxpk= 25, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 449, 450,
 &end
#
#   55 ARG  HN           54 ARG  HB-         3.50    (#    190:25  Unique         2.70, 3.31 A)
 &rst
  ixpk= 190, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   31 MET  HA           31 MET  HB-         3.50    (#    192:25  Unique         2.35, 2.45 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 449, 450,
 &end
#
#   52 ASP  HA           54 ARG  HB-         7.00    (#    193:25  Unique         4.10, 5.03 A)
 &rst
  ixpk= 193, nxpk= 25, iat= 769,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 797, 798,
 &end
#
#   54 ARG  HA           54 ARG  HB-         3.50    (#    194:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 194, nxpk= 25, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   22 LYS  HN            0 AMB  25-1:195    4.50    (#    195:25  Single Ambig)
 &rst
  ixpk= 195, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 295, 296, 253, 254,
 &end
#
#   26 THR  HN           29 GLU  HB+         5.50    (#    196:25  Unique         2.31, 3.26 A)
 &rst
  ixpk= 196, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 418, 419,
 &end
#
#    0 AMB  25-2:197      0 AMB  25-1:197    3.50    (#    197:25  Double Ambig)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 414, 429,
 igr2= 418, 419, 418, 419,
 &end
#
#   29 GLU  HA           29 GLU  HB+         4.50    (#    198:25  Unique         2.52, 2.78 A)
 &rst
  ixpk= 198, nxpk= 25, iat= 416,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 418, 419,
 &end
#
#   18 GLU  HN           18 GLU  HB+         3.50    (#    199:25  Unique         2.20, 3.00 A)
 &rst
  ixpk= 199, nxpk= 25, iat= 249,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 253, 254,
 &end
#
#   18 GLU  HA           18 GLU  HB+         2.80    (#    200:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 200, nxpk= 25, iat= 251,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 253, 254,
 &end
#
#    0 AMB  25-2:201      0 AMB  25-1:201    2.80    (#    201:25  Double Ambig)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 249, 291,
 igr2= 253, 254, 295, 296,
 &end
#
#    0 AMB  25-2:202      0 AMB  25-1:202    2.80    (#    202:25  Double Ambig)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 293, 251,
 igr2= 295, 296, 253, 254,
 &end
#
#   19 VAL  HN           18 GLU  HB-         4.50    (#    203:25  Unique         2.41, 3.13 A)
 &rst
  ixpk= 203, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 253, 254,
 &end
#
#   22 LYS  HN           21 GLU  HB-         4.50    (#    204:25  Unique         3.96, 4.05 A)
 &rst
  ixpk= 204, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 295, 296,
 &end
#
#   21 GLU  HN           21 GLU  HB-         3.50    (#    205:25  Unique         2.57, 3.16 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 295, 296,
 &end
#
#   21 GLU  HA           21 GLU  HB-         2.80    (#    206:25  Unique         2.37, 2.45 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 293,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 295, 296,
 &end
#
#    0 AMB  25-2:207     29 GLU  HB-         4.50    (#    207:25  Single Ambig)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 414, 429,
 igr2= 418, 419,
 &end
#
#   29 GLU  HA           29 GLU  HB-         3.50    (#    208:25  Unique         2.52, 2.78 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 416,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 418, 419,
 &end
#
#   19 VAL  HN           18 GLU  HB+         5.50    (#    209:25  Unique         2.41, 3.13 A)
 &rst
  ixpk= 209, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 253, 254,
 &end
#
#   59 GLN  HA           59 GLN  HB-         4.50    (#    211:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 211, nxpk= 25, iat= 893,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 895, 896,
 &end
#
#   50 ILE  HN           50 ILE  HG1-        3.50    (#    212:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 212, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 739, 740,
 &end
#
#   50 ILE  HN           50 ILE  HG1+        5.50    (#    213:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 213, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 739, 740,
 &end
#
#   48 HIS  HN            0 AMB  25-1:214    3.50    (#    214:25  Single Ambig)
 &rst
  ixpk= 214, nxpk= 25, iat= 693,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 697, 698, 697, 698,
 &end
#
#   49 LEU  HN            0 AMB  25-1:215    4.50    (#    215:25  Single Ambig)
 &rst
  ixpk= 215, nxpk= 25, iat= 710,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 697, 698, 697, 698,
 &end
#
#   41 ASP  HN            0 AMB  25-1:216    7.00    (#    216:25  Single Ambig)
 &rst
  ixpk= 216, nxpk= 25, iat= 588,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 697, 698, 697, 698,
 &end
#
#   48 HIS  HA            0 AMB  25-1:217    3.50    (#    217:25  Single Ambig)
 &rst
  ixpk= 217, nxpk= 25, iat= 695,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 697, 698, 697, 698,
 &end
#
#   15 ALA  HN           14 GLU  HB-         4.50    (#    218:25  Unique         2.40, 3.09 A)
 &rst
  ixpk= 218, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 190, 191,
 &end
#
#    0 AMB  25-2:219      0 AMB  25-1:219    3.50    (#    219:25  Double Ambig)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 891, 186,
 igr2= 895, 896, 190, 191,
 &end
#
#   14 GLU  HA           14 GLU  HB-         3.50    (#    220:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 220, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 190, 191,
 &end
#
#   15 ALA  HN           14 GLU  HB+         4.50    (#    221:25  Unique         2.40, 3.09 A)
 &rst
  ixpk= 221, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 190, 191,
 &end
#
#   28 SER  HN           27 GLU  HB+         4.50    (#    222:25  Unique         2.67, 3.32 A)
 &rst
  ixpk= 222, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 392, 393,
 &end
#
#   27 GLU  HN           27 GLU  HB+         3.50    (#    223:25  Unique         2.51, 3.08 A)
 &rst
  ixpk= 223, nxpk= 25, iat= 388,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 392, 393,
 &end
#
#   27 GLU  HN           27 GLU  HB-         4.50    (#    224:25  Unique         2.51, 3.08 A)
 &rst
  ixpk= 224, nxpk= 25, iat= 388,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 392, 393,
 &end
#
#   28 SER  HN           27 GLU  HB-         4.50    (#    225:25  Unique         2.67, 3.32 A)
 &rst
  ixpk= 225, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 392, 393,
 &end
#
#   40 GLN  HN           40 GLN  HB+         5.50    (#    227:25  Unique         2.47, 3.19 A)
 &rst
  ixpk= 227, nxpk= 25, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 575, 576,
 &end
#
#   40 GLN  HA           40 GLN  HB+         3.50    (#    228:25  Unique         2.37, 2.56 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 575, 576,
 &end
#
#   14 GLU  HA           14 GLU  HB+         4.50    (#    229:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 229, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 190, 191,
 &end
#
#   14 GLU  HN           14 GLU  HB+         3.50    (#    230:25  Unique         2.40, 3.05 A)
 &rst
  ixpk= 230, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 190, 191,
 &end
#
#   40 GLN  HN           40 GLN  HB-         3.50    (#    231:25  Unique         2.47, 3.19 A)
 &rst
  ixpk= 231, nxpk= 25, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 575, 576,
 &end
#
#   40 GLN  HA           40 GLN  HB-         4.50    (#    232:25  Unique         2.37, 2.56 A)
 &rst
  ixpk= 232, nxpk= 25, iat= 573,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 575, 576,
 &end
#
#   42 GLN  HN            0 AMB  25-1:233    3.50    (#    233:25  Single Ambig)
 &rst
  ixpk= 233, nxpk= 25, iat= 600,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 604, 605, 604, 605,
 &end
#
#   42 GLN  HA            0 AMB  25-1:234    2.80    (#    234:25  Single Ambig)
 &rst
  ixpk= 234, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 604, 605, 604, 605,
 &end
#
#   56 ILE  HA           56 ILE  HG1-        5.50    (#    235:25  Unique         2.57, 3.09 A)
 &rst
  ixpk= 235, nxpk= 25, iat= 843,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 851, 852,
 &end
#
#   55 ARG  HN           56 ILE  HG1-        5.50    (#    236:25  Unique         3.46, 4.42 A)
 &rst
  ixpk= 236, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 851, 852,
 &end
#
#   55 ARG  HN           56 ILE  HG1+        5.50    (#    237:25  Unique         3.46, 4.42 A)
 &rst
  ixpk= 237, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 851, 852,
 &end
#
#   56 ILE  HA           56 ILE  HG1+        5.50    (#    238:25  Unique         2.57, 3.09 A)
 &rst
  ixpk= 238, nxpk= 25, iat= 843,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 851, 852,
 &end
#
#   11 ILE  HN           11 ILE  HG1-        5.50    (#    239:25  Unique         2.04, 2.98 A)
 &rst
  ixpk= 239, nxpk= 25, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 153, 154,
 &end
#
#   11 ILE  HA           11 ILE  HG1-        5.50    (#    240:25  Unique         2.34, 3.15 A)
 &rst
  ixpk= 240, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 153, 154,
 &end
#
#   11 ILE  HN           11 ILE  HG1+        5.50    (#    241:25  Unique         2.04, 2.98 A)
 &rst
  ixpk= 241, nxpk= 25, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 153, 154,
 &end
#
#   11 ILE  HA           11 ILE  HG1+        5.50    (#    242:25  Unique         2.34, 3.15 A)
 &rst
  ixpk= 242, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 153, 154,
 &end
#
#   54 ARG  HN           54 ARG  HD-         4.50    (#    243:25  Unique         1.95, 2.94 A)
 &rst
  ixpk= 243, nxpk= 25, iat= 793,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 803, 804,
 &end
#
#   54 ARG  HA           54 ARG  HD-         4.50    (#    244:25  Unique         2.18, 3.07 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 803, 804,
 &end
#
#   55 ARG  HN           54 ARG  HD+         5.50    (#    246:25  Unique         4.38, 5.14 A)
 &rst
  ixpk= 246, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 803, 804,
 &end
#
#   54 ARG  HA           54 ARG  HD+         4.50    (#    247:25  Unique         2.18, 3.07 A)
 &rst
  ixpk= 247, nxpk= 25, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 803, 804,
 &end
#
#   48 HIS  HA           51 ILE  HG1-        5.50    (#    249:25  Unique         2.27, 3.19 A)
 &rst
  ixpk= 249, nxpk= 25, iat= 695,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 758, 759,
 &end
#
#   51 ILE  HN           51 ILE  HG1-        4.50    (#    250:25  Unique         1.92, 2.47 A)
 &rst
  ixpk= 250, nxpk= 25, iat= 748,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 758, 759,
 &end
#
#   51 ILE  HN           51 ILE  HG1+        3.50    (#    251:25  Unique         1.92, 2.47 A)
 &rst
  ixpk= 251, nxpk= 25, iat= 748,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 758, 759,
 &end
#
#   48 HIS  HA           51 ILE  HG1+        4.50    (#    252:25  Unique         2.27, 3.19 A)
 &rst
  ixpk= 252, nxpk= 25, iat= 695,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 758, 759,
 &end
#
#   20 CYS  HN           20 CYS  HB+         3.50    (#    253:25  Unique         2.09, 2.64 A)
 &rst
  ixpk= 253, nxpk= 25, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 284, 285,
 &end
#
#   21 GLU  HN           20 CYS  HB+         3.50    (#    254:25  Unique         2.65, 3.29 A)
 &rst
  ixpk= 254, nxpk= 25, iat= 291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 284, 285,
 &end
#
#   17 LYS  HA           20 CYS  HB+         3.50    (#    255:25  Unique         2.44, 3.23 A)
 &rst
  ixpk= 255, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 284, 285,
 &end
#
#   20 CYS  HN           20 CYS  HB-         4.50    (#    256:25  Unique         2.09, 2.64 A)
 &rst
  ixpk= 256, nxpk= 25, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 284, 285,
 &end
#
#   20 CYS  HA           20 CYS  HB-         3.50    (#    257:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 257, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 284, 285,
 &end
#
#   17 LYS  HA           20 CYS  HB-         4.50    (#    258:25  Unique         2.44, 3.23 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 284, 285,
 &end
#
#   21 GLU  HN           20 CYS  HB-         4.50    (#    259:25  Unique         2.65, 3.29 A)
 &rst
  ixpk= 259, nxpk= 25, iat= 291,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 284, 285,
 &end
#
#   24 GLU  HA            0 AMB  25-1:260    2.80    (#    260:25  Single Ambig)
 &rst
  ixpk= 260, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 352, 353, 352, 353,
 &end
#
#   24 GLU  HN            0 AMB  25-1:261    4.50    (#    261:25  Single Ambig)
 &rst
  ixpk= 261, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 352, 353, 352, 353,
 &end
#
#   39 PRO  HA           39 PRO  HG+         5.50    (#    262:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 262, nxpk= 25, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 561, 562,
 &end
#
#   43 LEU  HN           43 LEU  HG          3.50    (#    267:25  Unique         2.44, 2.73 A)
 &rst
  ixpk= 267, nxpk= 25, iat= 617, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 CYS  HA           20 CYS  HB+         5.50    (#    268:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 268, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 284, 285,
 &end
#
#   39 PRO  HA           39 PRO  HG-         5.50    (#    269:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 269, nxpk= 25, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 561, 562,
 &end
#
#   49 LEU  HN           49 LEU  HG          5.50    (#    270:25  Unique         4.46, 4.47 A)
 &rst
  ixpk= 270, nxpk= 25, iat= 710, 717, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:271     49 LEU  HG          5.50    (#    271:25  Single Ambig)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 664, 712,
 &end
#
#   34 LEU  HN           34 LEU  HG          3.50    (#    272:25  Unique         2.02, 2.07 A)
 &rst
  ixpk= 272, nxpk= 25, iat= 487, 494, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 MET  HA           34 LEU  HG          4.50    (#    273:25  Unique         2.00, 2.05 A)
 &rst
  ixpk= 273, nxpk= 25, iat= 447, 494, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 LYS  HN           17 LYS  HG+         5.50    (#    275:25  Unique         2.45, 3.40 A)
 &rst
  ixpk= 275, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 234, 235,
 &end
#
#   17 LYS  HA           17 LYS  HG+         5.50    (#    276:25  Unique         2.22, 2.79 A)
 &rst
  ixpk= 276, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 234, 235,
 &end
#
#   17 LYS  HA           17 LYS  HG-         5.50    (#    277:25  Unique         2.22, 2.79 A)
 &rst
  ixpk= 277, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 234, 235,
 &end
#
#   22 LYS  HA           22 LYS  HG+         5.50    (#    278:25  Unique         2.17, 3.02 A)
 &rst
  ixpk= 278, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   22 LYS  HA           22 LYS  HG-         5.50    (#    280:25  Unique         2.17, 3.02 A)
 &rst
  ixpk= 280, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   43 LEU  HN           43 LEU  MDX         5.50    (#    281:25  Unique         3.51, 4.63 A)
 &rst
  ixpk= 281, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   23 PHE  HD           43 LEU  MDX         5.50    (#    282:25  Unique         2.18, 4.89 A)
 &rst
  ixpk= 282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 336, 344,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   33 SER  HB-          43 LEU  MDX         5.50    (#    283:25  Unique         2.60, 5.35 A)
 &rst
  ixpk= 283, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 480, 481,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:284      0 AMB  25-1:284    4.50    (#    284:25  Double Ambig)
 &rst
  ixpk= 284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 280, 374,
 igr2= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
       222, 223,
 &end
#
#   30 VAL  HN           30 VAL  MGY         2.80    (#    285:25  Unique         2.18, 3.84 A)
 &rst
  ixpk= 285, nxpk= 25, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   31 MET  HN            0 AMB  25-1:287    4.50    (#    287:25  Single Ambig)
 &rst
  ixpk= 287, nxpk= 25, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr2= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
       222, 223,
 &end
#
#   23 PHE  HE           30 VAL  MGY         5.50    (#    288:25  Unique         6.69, 9.28 A)
 &rst
  ixpk= 288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 342,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   47 TYR  HN            0 AMB  25-1:290    7.00    (#    290:25  Single Ambig)
 &rst
  ixpk= 290, nxpk= 25, iat= 672,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr2= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
       440, 441,
 &end
#
#   20 CYS  HA           30 VAL  MGY         5.50    (#    291:25  Unique         3.70, 5.72 A)
 &rst
  ixpk= 291, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   20 CYS  HN           19 VAL  MGY         5.50    (#    292:25  Unique         2.29, 4.06 A)
 &rst
  ixpk= 292, nxpk= 25, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   19 VAL  HN           19 VAL  MGY         5.50    (#    293:25  Unique         1.95, 3.04 A)
 &rst
  ixpk= 293, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   47 TYR  HN           19 VAL  MGY         4.50    (#    294:25  Unique         2.99, 4.79 A)
 &rst
  ixpk= 294, nxpk= 25, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#    0 AMB  25-2:295     19 VAL  MGY         5.50    (#    295:25  Single Ambig)
 &rst
  ixpk= 295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 336, 344, 429,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   47 TYR  HD           19 VAL  MGY         4.50    (#    296:25  Unique         3.55, 5.97 A)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 680, 689,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   47 TYR  HD           19 VAL  MGX         4.50    (#    297:25  Unique         3.55, 5.97 A)
 &rst
  ixpk= 297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 680, 689,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#    0 AMB  25-2:298     19 VAL  MGY         5.50    (#    298:25  Single Ambig)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 664, 203,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   16 VAL  HN           19 VAL  MGX         4.50    (#    299:25  Unique         4.19, 5.61 A)
 &rst
  ixpk= 299, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   17 LYS  HN           19 VAL  MGX         5.50    (#    300:25  Unique         3.95, 5.75 A)
 &rst
  ixpk= 300, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   45 VAL  HN           45 VAL  MGY         2.80    (#    305:25  Unique         2.53, 3.95 A)
 &rst
  ixpk= 305, nxpk= 25, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#   42 GLN  HA           45 VAL  MGY         5.50    (#    306:25  Unique         3.31, 5.03 A)
 &rst
  ixpk= 306, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#    0 AMB  25-2:307     34 LEU  MDY         5.50    (#    307:25  Single Ambig)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 617, 571,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   34 LEU  HN           34 LEU  MDY         4.50    (#    308:25  Unique         2.90, 4.10 A)
 &rst
  ixpk= 308, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:309     34 LEU  MDY         2.80    (#    309:25  Single Ambig)
 &rst
  ixpk= 309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 447, 638, 489,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   47 TYR  HD           34 LEU  MDY         4.50    (#    311:25  Unique         4.04, 5.65 A)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 680, 689,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   33 SER  HB-          34 LEU  MDY         4.50    (#    312:25  Unique         3.24, 5.79 A)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 480, 481,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   43 LEU  HN           43 LEU  MDY         5.50    (#    313:25  Unique         3.51, 4.63 A)
 &rst
  ixpk= 313, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   23 PHE  HD           43 LEU  MDY         4.50    (#    314:25  Unique         2.18, 4.89 A)
 &rst
  ixpk= 314, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 336, 344,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   25 CYS  HA           26 THR  MG2         5.50    (#    315:25  Unique         3.56, 4.62 A)
 &rst
  ixpk= 315, nxpk= 25, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 380, 381, 382,
 &end
#
#   27 GLU  HN           26 THR  MG2         5.50    (#    316:25  Unique         3.66, 4.70 A)
 &rst
  ixpk= 316, nxpk= 25, iat= 388,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 380, 381, 382,
 &end
#
#   26 THR  HN           26 THR  MG2         3.50    (#    317:25  Unique         2.24, 3.25 A)
 &rst
  ixpk= 317, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 380, 381, 382,
 &end
#
#   26 THR  HA           26 THR  MG2         2.80    (#    318:25  Unique         2.28, 3.12 A)
 &rst
  ixpk= 318, nxpk= 25, iat= 376,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 380, 381, 382,
 &end
#
#   26 THR  HB           26 THR  MG2         2.80    (#    319:25  Unique         2.23, 2.64 A)
 &rst
  ixpk= 319, nxpk= 25, iat= 378,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 380, 381, 382,
 &end
#
#    0 AMB  25-2:320      0 AMB  25-1:320    4.50    (#    320:25  Double Ambig)
 &rst
  ixpk= 320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 445, 693,
 igr2= 435, 436, 437, 439, 440, 441, 652, 653, 654, 656,
       657, 658,
 &end
#
#   30 VAL  HN           30 VAL  MGX         5.50    (#    321:25  Unique         2.18, 3.84 A)
 &rst
  ixpk= 321, nxpk= 25, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   47 TYR  HD           30 VAL  MGX         5.50    (#    322:25  Unique         2.85, 6.51 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 680, 689,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:323      0 AMB  25-1:323    5.50    (#    323:25  Double Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 447, 602, 638,
 igr2= 435, 436, 437, 439, 440, 441, 652, 653, 654, 656,
       657, 658,
 &end
#
#   47 TYR  HN           46 ALA  MB          4.50    (#    325:25  Unique         2.86, 3.60 A)
 &rst
  ixpk= 325, nxpk= 25, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 666, 667, 668,
 &end
#
#   46 ALA  HN           46 ALA  MB          2.80    (#    326:25  Unique         2.22, 2.89 A)
 &rst
  ixpk= 326, nxpk= 25, iat= 662,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 666, 667, 668,
 &end
#
#   23 PHE  HD           46 ALA  MB          7.00    (#    327:25  Unique         3.09, 6.10 A)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 336, 344,
 igr2= 666, 667, 668,
 &end
#
#   46 ALA  HA           46 ALA  MB          2.80    (#    330:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 330, nxpk= 25, iat= 664,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 666, 667, 668,
 &end
#
#   60 ALA  HA           60 ALA  MB          4.50    (#    331:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 331, nxpk= 25, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 912, 913, 914,
 &end
#
#    0 AMB  25-2:332     60 ALA  MB          5.50    (#    332:25  Single Ambig)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 908, 918,
 igr2= 912, 913, 914,
 &end
#
#    8 ALA  HN            8 ALA  MB          4.50    (#    334:25  Unique         2.11, 2.98 A)
 &rst
  ixpk= 334, nxpk= 25, iat= 103,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 107, 108, 109,
 &end
#
#    8 ALA  HA            8 ALA  MB          2.80    (#    335:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 105,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 107, 108, 109,
 &end
#
#   15 ALA  HN           15 ALA  MB          3.50    (#    336:25  Unique         2.09, 2.91 A)
 &rst
  ixpk= 336, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 205, 206, 207,
 &end
#
#   16 VAL  HN           15 ALA  MB          4.50    (#    337:25  Unique         2.67, 3.47 A)
 &rst
  ixpk= 337, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 205, 206, 207,
 &end
#
#   47 TYR  HD           15 ALA  MB          4.50    (#    339:25  Unique         2.33, 4.77 A)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 680, 689,
 igr2= 205, 206, 207,
 &end
#
#   15 ALA  HA           15 ALA  MB          2.80    (#    340:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 340, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 205, 206, 207,
 &end
#
#   34 LEU  HN           44 ALA  MB          7.00    (#    342:25  Unique         4.28, 5.38 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 640, 641, 642,
 &end
#
#   39 PRO  HA           44 ALA  MB          5.50    (#    343:25  Unique         2.04, 3.12 A)
 &rst
  ixpk= 343, nxpk= 25, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 640, 641, 642,
 &end
#
#   12 ASP  HN           11 ILE  QG2         4.50    (#    344:25  Unique         2.35, 3.50 A)
 &rst
  ixpk= 344, nxpk= 25, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  25-2:345     11 ILE  QG2         5.50    (#    345:25  Single Ambig)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 143, 445,
 igr2= 149, 150, 151,
 &end
#
#   13 ASP  HA           11 ILE  QG2         7.00    (#    347:25  Unique         3.66, 4.72 A)
 &rst
  ixpk= 347, nxpk= 25, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 149, 150, 151,
 &end
#
#   11 ILE  HA           11 ILE  QG2         4.50    (#    348:25  Unique         2.27, 3.04 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 149, 150, 151,
 &end
#
#   52 ASP  HN           51 ILE  QG2         5.50    (#    349:25  Unique         4.28, 4.81 A)
 &rst
  ixpk= 349, nxpk= 25, iat= 767,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 754, 755, 756,
 &end
#
#   51 ILE  HN           51 ILE  QG2         4.50    (#    350:25  Unique         4.40, 4.55 A)
 &rst
  ixpk= 350, nxpk= 25, iat= 748,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 754, 755, 756,
 &end
#
#   52 ASP  HA           51 ILE  QG2         5.50    (#    351:25  Unique         4.21, 5.14 A)
 &rst
  ixpk= 351, nxpk= 25, iat= 769,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 754, 755, 756,
 &end
#
#   48 HIS  HA           51 ILE  QG2         5.50    (#    352:25  Unique         4.72, 5.18 A)
 &rst
  ixpk= 352, nxpk= 25, iat= 695,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 754, 755, 756,
 &end
#
#   56 ILE  HA           56 ILE  QG2         4.50    (#    353:25  Unique         2.34, 3.10 A)
 &rst
  ixpk= 353, nxpk= 25, iat= 843,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 847, 848, 849,
 &end
#
#   15 ALA  HA           50 ILE  QG2         4.50    (#    354:25  Unique         3.11, 4.24 A)
 &rst
  ixpk= 354, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 735, 736, 737,
 &end
#
#   50 ILE  HN           50 ILE  QG2         5.50    (#    355:25  Unique         4.42, 4.56 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 735, 736, 737,
 &end
#
#   51 ILE  HN            0 AMB  25-1:356    4.50    (#    356:25  Single Ambig)
 &rst
  ixpk= 356, nxpk= 25, iat= 748,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 735, 736, 737, 754, 755, 756,
 &end
#
#   51 ILE  HN           51 ILE  QD1         5.50    (#    357:25  Unique         4.07, 4.37 A)
 &rst
  ixpk= 357, nxpk= 25, iat= 748,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 761, 762, 763,
 &end
#
#   48 HIS  HA           51 ILE  QD1         5.50    (#    359:25  Unique         2.76, 3.50 A)
 &rst
  ixpk= 359, nxpk= 25, iat= 695,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 761, 762, 763,
 &end
#
#    0 AMB  25-2:360     51 ILE  QD1         5.50    (#    360:25  Single Ambig)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 201, 162,
 igr2= 761, 762, 763,
 &end
#
#   11 ILE  HA           11 ILE  QD1         4.50    (#    362:25  Unique         2.00, 3.87 A)
 &rst
  ixpk= 362, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 156, 157, 158,
 &end
#
#   51 ILE  HA           54 ARG  HG-         5.50    (#    363:25  Unique         2.12, 3.81 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 800, 801,
 &end
#
#   33 SER  HB+          43 LEU  HB+         4.50    (#    364:25  Unique         2.62, 3.22 A)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 480, 481,
 igr2= 621, 622,
 &end
#
#   43 LEU  HA           43 LEU  HB-         3.50    (#    365:25  Unique         2.45, 2.76 A)
 &rst
  ixpk= 365, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 621, 622,
 &end
#
#   30 VAL  HA           43 LEU  HB-         4.50    (#    366:25  Unique         2.07, 2.79 A)
 &rst
  ixpk= 366, nxpk= 25, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 621, 622,
 &end
#
#   43 LEU  HA           43 LEU  HB+         4.50    (#    367:25  Unique         2.45, 2.76 A)
 &rst
  ixpk= 367, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 621, 622,
 &end
#
#   47 TYR  HA           47 TYR  HB+         4.50    (#    368:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 368, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 676, 677,
 &end
#
#   50 ILE  HA           53 ASN  HB-         4.50    (#    369:25  Unique         2.62, 3.33 A)
 &rst
  ixpk= 369, nxpk= 25, iat= 731,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 783, 784,
 &end
#
#   19 VAL  HA           23 PHE  HB-         5.50    (#    370:25  Unique         4.00, 5.03 A)
 &rst
  ixpk= 370, nxpk= 25, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 332, 333,
 &end
#
#   47 TYR  HA           47 TYR  HB-         3.50    (#    371:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 676, 677,
 &end
#
#   47 TYR  HA           50 ILE  HB          4.50    (#    372:25  Unique         4.39, 4.46 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 674, 733, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 ILE  HA           50 ILE  HB          4.50    (#    373:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 731, 733, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 GLU  HA           27 GLU  HG+         4.50    (#    374:25  Unique         2.36, 2.86 A)
 &rst
  ixpk= 374, nxpk= 25, iat= 390,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 395, 396,
 &end
#
#   27 GLU  HA           27 GLU  HG-         4.50    (#    375:25  Unique         2.36, 2.86 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 390,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 395, 396,
 &end
#
#   51 ILE  HA           51 ILE  HB          4.50    (#    376:25  Unique         3.00, 3.00 A)
 &rst
  ixpk= 376, nxpk= 25, iat= 750, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 VAL  HA           22 LYS  HB+         5.50    (#    377:25  Unique         1.99, 2.70 A)
 &rst
  ixpk= 377, nxpk= 25, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 310, 311,
 &end
#
#   19 VAL  HA           22 LYS  HB-         5.50    (#    378:25  Unique         1.99, 2.70 A)
 &rst
  ixpk= 378, nxpk= 25, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 310, 311,
 &end
#
#   45 VAL  HA           45 VAL  HB          4.50    (#    379:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 379, nxpk= 25, iat= 648, 650, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 VAL  HA           19 VAL  HB          4.50    (#    381:25  Unique         2.48, 2.50 A)
 &rst
  ixpk= 381, nxpk= 25, iat= 266, 268, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 VAL  HA           16 VAL  HB          3.50    (#    382:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 382, nxpk= 25, iat= 213, 215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 GLU  HA           30 VAL  HB          4.50    (#    383:25  Unique         2.99, 3.20 A)
 &rst
  ixpk= 383, nxpk= 25, iat= 390, 433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 ILE  HA           54 ARG  HB-         5.50    (#    384:25  Unique         3.55, 4.58 A)
 &rst
  ixpk= 384, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 797, 798,
 &end
#
#   25 CYS  HB+          29 GLU  HB+         5.50    (#    385:25  Unique         2.18, 3.54 A)
 &rst
  ixpk= 385, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 367, 368,
 igr2= 418, 419,
 &end
#
#   50 ILE  HA           50 ILE  HG1-        4.50    (#    386:25  Unique         2.58, 2.75 A)
 &rst
  ixpk= 386, nxpk= 25, iat= 731,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 739, 740,
 &end
#
#   50 ILE  HA           50 ILE  HG1+        4.50    (#    387:25  Unique         2.58, 2.75 A)
 &rst
  ixpk= 387, nxpk= 25, iat= 731,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 739, 740,
 &end
#
#   45 VAL  HA            0 AMB  25-1:388    4.50    (#    388:25  Single Ambig)
 &rst
  ixpk= 388, nxpk= 25, iat= 648,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 697, 698, 697, 698,
 &end
#
#   27 GLU  HA           27 GLU  HB+         3.50    (#    389:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 389, nxpk= 25, iat= 390,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 392, 393,
 &end
#
#   27 GLU  HA           27 GLU  HB-         3.50    (#    390:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 390, nxpk= 25, iat= 390,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 392, 393,
 &end
#
#   51 ILE  HA           51 ILE  HG1+        4.50    (#    391:25  Unique         2.66, 3.00 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 758, 759,
 &end
#
#   51 ILE  HA           54 ARG  HD-         5.50    (#    392:25  Unique         2.06, 3.42 A)
 &rst
  ixpk= 392, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 803, 804,
 &end
#
#   51 ILE  HA           51 ILE  HG1-        5.50    (#    393:25  Unique         2.66, 3.00 A)
 &rst
  ixpk= 393, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 758, 759,
 &end
#
#   51 ILE  HA           54 ARG  HD-         5.50    (#    394:25  Unique         2.06, 3.42 A)
 &rst
  ixpk= 394, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 803, 804,
 &end
#
#   43 LEU  HA           43 LEU  HG          4.50    (#    395:25  Unique         3.02, 3.07 A)
 &rst
  ixpk= 395, nxpk= 25, iat= 619, 624, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 LEU  HA           43 LEU  MDX         5.50    (#    396:25  Unique         2.00, 3.75 A)
 &rst
  ixpk= 396, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   25 CYS  HB+          43 LEU  MDX         5.50    (#    397:25  Unique         2.36, 4.42 A)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 367, 368,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   33 SER  HB+          43 LEU  MDX         5.50    (#    398:25  Unique         2.60, 5.35 A)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 480, 481,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:399     30 VAL  MGY         3.50    (#    399:25  Single Ambig)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 619, 266,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   47 TYR  HA           19 VAL  MGY         2.80    (#    400:25  Unique         2.00, 3.48 A)
 &rst
  ixpk= 400, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   19 VAL  HA           19 VAL  MGY         2.80    (#    401:25  Unique         2.37, 3.45 A)
 &rst
  ixpk= 401, nxpk= 25, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   16 VAL  HA           19 VAL  MGY         4.50    (#    402:25  Unique         2.00, 3.50 A)
 &rst
  ixpk= 402, nxpk= 25, iat= 213,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   16 VAL  HA           19 VAL  MGX         2.80    (#    403:25  Unique         2.00, 3.50 A)
 &rst
  ixpk= 403, nxpk= 25, iat= 213,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   33 SER  HB+          34 LEU  MDY         7.00    (#    404:25  Unique         3.24, 5.79 A)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 480, 481,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   43 LEU  HA           43 LEU  MDY         2.80    (#    405:25  Unique         2.00, 3.75 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   16 VAL  HA           30 VAL  MGX         3.50    (#    406:25  Unique         3.22, 4.71 A)
 &rst
  ixpk= 406, nxpk= 25, iat= 213,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   45 VAL  HA           49 LEU  MDY         4.50    (#    407:25  Unique         4.54, 6.72 A)
 &rst
  ixpk= 407, nxpk= 25, iat= 648,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 719, 720, 721, 723, 724, 725,
 &end
#
#   43 LEU  HA           46 ALA  MB          3.50    (#    408:25  Unique         2.77, 3.66 A)
 &rst
  ixpk= 408, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 666, 667, 668,
 &end
#
#   47 TYR  HA           15 ALA  MB          5.50    (#    409:25  Unique         3.03, 4.11 A)
 &rst
  ixpk= 409, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 205, 206, 207,
 &end
#
#   51 ILE  HA           15 ALA  MB          7.00    (#    410:25  Unique         4.47, 5.49 A)
 &rst
  ixpk= 410, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 205, 206, 207,
 &end
#
#   51 ILE  HA           51 ILE  QG2         3.50    (#    412:25  Unique         2.24, 2.96 A)
 &rst
  ixpk= 412, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 754, 755, 756,
 &end
#
#   50 ILE  HA           50 ILE  QG2         3.50    (#    413:25  Unique         2.40, 3.13 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 731,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 735, 736, 737,
 &end
#
#   51 ILE  HA           51 ILE  QD1         5.50    (#    414:25  Unique         4.41, 4.69 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 761, 762, 763,
 &end
#
#   30 VAL  HA           30 VAL  HB          5.50    (#    417:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 417, nxpk= 25, iat= 431, 433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:419     54 ARG  HB-         4.50    (#    419:25  Single Ambig)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 800, 801, 800, 801,
 igr2= 797, 798,
 &end
#
#    0 AMB  25-2:421     54 ARG  HB-         4.50    (#    421:25  Single Ambig)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 800, 801, 800, 801,
 igr2= 797, 798,
 &end
#
#   54 ARG  HG-          14 GLU  HB+         5.50    (#    422:25  Unique         6.25, 7.84 A)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 800, 801,
 igr2= 190, 191,
 &end
#
#   53 ASN  HB+          50 ILE  HG1-        4.50    (#    423:25  Unique         4.98, 5.74 A)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 783, 784,
 igr2= 739, 740,
 &end
#
#   53 ASN  HB-          22 LYS  HD-         5.50    (#    424:25  Unique         6.92, 8.67 A)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 783, 784,
 igr2= 316, 317,
 &end
#
#   54 ARG  HG-          54 ARG  HD-         3.50    (#    425:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 800, 801,
 igr2= 803, 804,
 &end
#
#   54 ARG  HG+          54 ARG  HD+         3.50    (#    427:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 800, 801,
 igr2= 803, 804,
 &end
#
#   30 VAL  HA           43 LEU  MDX         4.50    (#    429:25  Unique         2.13, 3.87 A)
 &rst
  ixpk= 429, nxpk= 25, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   30 VAL  HA           30 VAL  MGY         3.50    (#    430:25  Unique         2.43, 3.11 A)
 &rst
  ixpk= 430, nxpk= 25, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   47 TYR  HB+          19 VAL  MGY         4.50    (#    431:25  Unique         2.97, 5.18 A)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 676, 677,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   47 TYR  HB+          34 LEU  MDY         4.50    (#    432:25  Unique         3.43, 5.03 A)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 676, 677,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   23 PHE  HB+          43 LEU  MDY         4.50    (#    433:25  Unique         2.07, 4.22 A)
 &rst
  ixpk= 433, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 332, 333,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   30 VAL  HA           30 VAL  MGX         3.50    (#    434:25  Unique         2.43, 3.11 A)
 &rst
  ixpk= 434, nxpk= 25, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   12 ASP  HB+          15 ALA  MB          3.50    (#    435:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 166, 167,
 igr2= 205, 206, 207,
 &end
#
#   12 ASP  HB+          51 ILE  QG2         5.50    (#    436:25  Unique         4.71, 5.85 A)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 166, 167,
 igr2= 754, 755, 756,
 &end
#
#    0 AMB  25-2:437      0 AMB  25-1:437    5.50    (#    437:25  Double Ambig)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 800, 801, 800, 801, 800, 801,
 igr2= 754, 755, 756, 735, 736, 737,
 &end
#
#   12 ASP  HB+          51 ILE  QD1         4.50    (#    438:25  Unique         2.52, 3.51 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 166, 167,
 igr2= 761, 762, 763,
 &end
#
#    0 AMB  25-2:441      0 AMB  25-1:441    7.00    (#    441:25  Double Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.34, r4=13.09,
 igr1= 215, 193, 194, 193, 194,
 igr2= 231, 232, 231, 232, 231, 232,
 &end
#
#   31 MET  HG+          31 MET  HB+         3.50    (#    443:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 452, 453,
 igr2= 449, 450,
 &end
#
#   31 MET  HG+          31 MET  HB-         4.50    (#    444:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 452, 453,
 igr2= 449, 450,
 &end
#
#   31 MET  HG-          31 MET  HB-         4.50    (#    445:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 452, 453,
 igr2= 449, 450,
 &end
#
#   14 GLU  HG+          14 GLU  HB+         3.50    (#    446:25  Unique         2.22, 2.69 A)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 193, 194,
 igr2= 190, 191,
 &end
#
#    0 AMB  25-2:447     16 VAL  MGY         5.50    (#    447:25  Single Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 452, 453, 178, 179, 178, 179,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#   47 TYR  HB-          19 VAL  MGY         4.50    (#    448:25  Unique         2.97, 5.18 A)
 &rst
  ixpk= 448, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 676, 677,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   19 VAL  HB           19 VAL  MGY         2.80    (#    449:25  Unique         2.39, 2.63 A)
 &rst
  ixpk= 449, nxpk= 25, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   19 VAL  HB           19 VAL  MGX         2.80    (#    450:25  Unique         2.39, 2.63 A)
 &rst
  ixpk= 450, nxpk= 25, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   47 TYR  HB-          34 LEU  MDY         5.50    (#    452:25  Unique         3.43, 5.03 A)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 676, 677,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   47 TYR  HB-          30 VAL  MGX         5.50    (#    453:25  Unique         2.88, 5.31 A)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 676, 677,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   12 ASP  HB-          15 ALA  MB          4.50    (#    454:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 454, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 166, 167,
 igr2= 205, 206, 207,
 &end
#
#   12 ASP  HB-          51 ILE  QD1         4.50    (#    455:25  Unique         2.52, 3.51 A)
 &rst
  ixpk= 455, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 166, 167,
 igr2= 761, 762, 763,
 &end
#
#   39 PRO  HG-          39 PRO  HA          3.50    (#    457:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 457, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 561, 562,
 &end
#
#   44 ALA  MB           39 PRO  HA          5.50    (#    458:25  Unique         2.04, 3.12 A)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 640, 641, 642,
 &end
#
#    2 PRO  HB+           2 PRO  HA          4.50    (#    459:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 459, nxpk= 25, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  18,  19,
 &end
#
#    2 PRO  HB-           2 PRO  HA          7.00    (#    460:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  18,  19,
 &end
#
#   30 VAL  HA           33 SER  HB-         4.50    (#    461:25  Unique         2.76, 3.64 A)
 &rst
  ixpk= 461, nxpk= 25, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 480, 481,
 &end
#
#   43 LEU  MDX          33 SER  HB-         4.50    (#    462:25  Unique         2.60, 5.35 A)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 480, 481,
 &end
#
#   43 LEU  HB+          33 SER  HB+         4.50    (#    463:25  Unique         2.62, 3.22 A)
 &rst
  ixpk= 463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 621, 622,
 igr2= 480, 481,
 &end
#
#   43 LEU  HB-          33 SER  HB+         5.50    (#    464:25  Unique         2.62, 3.22 A)
 &rst
  ixpk= 464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 621, 622,
 igr2= 480, 481,
 &end
#
#   43 LEU  MDX          33 SER  HB+         5.50    (#    465:25  Unique         2.60, 5.35 A)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 480, 481,
 &end
#
#   43 LEU  HB+          33 SER  HB-         4.50    (#    466:25  Unique         2.62, 3.22 A)
 &rst
  ixpk= 466, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 621, 622,
 igr2= 480, 481,
 &end
#
#   43 LEU  HB-          33 SER  HB-         5.50    (#    467:25  Unique         2.62, 3.22 A)
 &rst
  ixpk= 467, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 621, 622,
 igr2= 480, 481,
 &end
#
#    0 AMB  25-2:468      0 AMB  25-1:468    5.50    (#    468:25  Double Ambig)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 421, 422, 421, 422, 421, 422,
 igr2= 407, 408, 407, 408, 407, 408,
 &end
#
#   30 VAL  HA           33 SER  HB+         5.50    (#    469:25  Unique         2.76, 3.64 A)
 &rst
  ixpk= 469, nxpk= 25, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 480, 481,
 &end
#
#   44 ALA  MB           33 SER  HB+         5.50    (#    470:25  Unique         2.54, 4.50 A)
 &rst
  ixpk= 470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 640, 641, 642,
 igr2= 480, 481,
 &end
#
#   56 ILE  HB           56 ILE  HA          4.50    (#    471:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 471, nxpk= 25, iat= 845, 843, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ILE  HG1-         56 ILE  HA          4.50    (#    472:25  Unique         2.57, 3.09 A)
 &rst
  ixpk= 472, nxpk= 25, iat=  -1, 843, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 851, 852,
 &end
#
#   56 ILE  HG1+         56 ILE  HA          4.50    (#    473:25  Unique         2.57, 3.09 A)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1, 843, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 851, 852,
 &end
#
#    0 AMB  25-2:474     56 ILE  HA          3.50    (#    474:25  Single Ambig)
 &rst
  ixpk= 474, nxpk= 25, iat=  -1, 843, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 847, 848, 849, 824, 825,
 &end
#
#    0 AMB  25-2:475      0 AMB  25-1:475    4.50    (#    475:25  Double Ambig)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 821, 822, 821, 822, 131,
 igr2= 819, 129,
 &end
#
#    0 AMB  25-2:476      0 AMB  25-1:476    2.80    (#    476:25  Double Ambig)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1= 133, 134, 135, 137, 138, 139, 824, 825, 824, 825,
      
 igr2= 129, 819,
 &end
#
#    0 AMB  25-2:477     28 SER  HA          4.50    (#    477:25  Single Ambig)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 449, 450, 433,
 &end
#
#   31 MET  HB-          28 SER  HA          5.50    (#    478:25  Unique         4.41, 4.69 A)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 449, 450,
 &end
#
#    0 AMB  25-2:479     48 HIS  HA          2.80    (#    479:25  Single Ambig)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1, 695, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 697, 698, 697, 698,
 &end
#
#   51 ILE  HB           48 HIS  HA          4.50    (#    480:25  Unique         2.88, 2.92 A)
 &rst
  ixpk= 480, nxpk= 25, iat= 752, 695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 ILE  HG1-         48 HIS  HA          4.50    (#    481:25  Unique         2.27, 3.19 A)
 &rst
  ixpk= 481, nxpk= 25, iat=  -1, 695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 758, 759,
 &end
#
#   51 ILE  HG1+         48 HIS  HA          4.50    (#    482:25  Unique         2.27, 3.19 A)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1, 695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 758, 759,
 &end
#
#   51 ILE  QG2          48 HIS  HA          5.50    (#    483:25  Unique         4.72, 5.18 A)
 &rst
  ixpk= 483, nxpk= 25, iat=  -1, 695, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 754, 755, 756,
 &end
#
#   51 ILE  QD1          48 HIS  HA          5.50    (#    484:25  Unique         2.76, 3.50 A)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1, 695, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 761, 762, 763,
 &end
#
#   20 CYS  HB+          17 LYS  HA          4.50    (#    485:25  Unique         2.44, 3.23 A)
 &rst
  ixpk= 485, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 285,
 &end
#
#   20 CYS  HB-          17 LYS  HA          4.50    (#    486:25  Unique         2.44, 3.23 A)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 285,
 &end
#
#    0 AMB  25-2:487     17 LYS  HA          2.80    (#    487:25  Single Ambig)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 231, 232, 231, 232,
 &end
#
#   17 LYS  HG+          17 LYS  HA          4.50    (#    488:25  Unique         2.22, 2.79 A)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 234, 235,
 &end
#
#   17 LYS  HG-          17 LYS  HA          4.50    (#    489:25  Unique         2.22, 2.79 A)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 234, 235,
 &end
#
#   16 VAL  MGX          17 LYS  HA          4.50    (#    490:25  Unique         3.82, 5.69 A)
 &rst
  ixpk= 490, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#    0 AMB  25-2:491     18 GLU  HA          3.50    (#    491:25  Single Ambig)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1, 251, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 298, 299, 256, 257,
 &end
#
#    0 AMB  25-2:492      0 AMB  25-1:492    2.80    (#    492:25  Double Ambig)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 298, 299, 295, 296, 253, 254, 256, 257,
 igr2= 251, 293,
 &end
#
#   32 ASN  HB-          29 GLU  HA          3.50    (#    493:25  Unique         2.38, 3.20 A)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 466, 467,
 &end
#
#    0 AMB  25-2:494     29 GLU  HA          2.80    (#    494:25  Single Ambig)
 &rst
  ixpk= 494, nxpk= 25, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 421, 422, 421, 422,
 &end
#
#   29 GLU  HB-          29 GLU  HA          2.80    (#    495:25  Unique         2.52, 2.78 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 418, 419,
 &end
#
#   17 LYS  HE-          14 GLU  HA          5.50    (#    496:25  Unique         2.07, 5.07 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 240, 241,
 &end
#
#   14 GLU  HG+          14 GLU  HA          4.50    (#    497:25  Unique         2.28, 3.00 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 193, 194,
 &end
#
#   14 GLU  HG-          14 GLU  HA          3.50    (#    498:25  Unique         2.28, 3.00 A)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 193, 194,
 &end
#
#   14 GLU  HB+          14 GLU  HA          2.80    (#    499:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 499, nxpk= 25, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 190, 191,
 &end
#
#   11 ILE  HB           11 ILE  HA          4.50    (#    500:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 500, nxpk= 25, iat= 147, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 ARG  HD+          14 GLU  HA          5.50    (#    501:25  Unique         7.92, 9.61 A)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 803, 804,
 &end
#
#   11 ILE  HG1-         11 ILE  HA          5.50    (#    502:25  Unique         2.34, 3.15 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 153, 154,
 &end
#
#   11 ILE  HG1+         11 ILE  HA          4.50    (#    503:25  Unique         2.34, 3.15 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 153, 154,
 &end
#
#   11 ILE  QG2          11 ILE  HA          3.50    (#    504:25  Unique         2.27, 3.04 A)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 149, 150, 151,
 &end
#
#   42 GLN  HG-          42 GLN  HA          4.50    (#    505:25  Unique         3.14, 3.82 A)
 &rst
  ixpk= 505, nxpk= 25, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 607, 608,
 &end
#
#    0 AMB  25-2:506     42 GLN  HA          2.80    (#    506:25  Single Ambig)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 604, 605, 604, 605,
 &end
#
#   45 VAL  HB           42 GLN  HA          2.80    (#    507:25  Unique         3.14, 3.32 A)
 &rst
  ixpk= 507, nxpk= 25, iat= 650, 602, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 VAL  MGY          42 GLN  HA          4.50    (#    508:25  Unique         3.31, 5.03 A)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#   42 GLN  HG+          42 GLN  HA          5.50    (#    509:25  Unique         3.14, 3.82 A)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 607, 608,
 &end
#
#   22 LYS  HB+          22 LYS  HA          3.50    (#    512:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 512, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   22 LYS  HB-          22 LYS  HA          3.50    (#    513:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 310, 311,
 &end
#
#   22 LYS  HD-          22 LYS  HA          5.50    (#    514:25  Unique         2.00, 3.31 A)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 316, 317,
 &end
#
#   22 LYS  HG+          22 LYS  HA          4.50    (#    515:25  Unique         2.17, 3.02 A)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 313, 314,
 &end
#
#   22 LYS  HG-          22 LYS  HA          4.50    (#    516:25  Unique         2.17, 3.02 A)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 313, 314,
 &end
#
#   23 PHE  HB+          23 PHE  HA          3.50    (#    517:25  Unique         2.61, 2.82 A)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   23 PHE  HB-          23 PHE  HA          4.50    (#    518:25  Unique         2.61, 2.82 A)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#    0 AMB  25-2:519      0 AMB  25-1:519    2.80    (#    519:25  Double Ambig)
 &rst
  ixpk= 519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 803, 804, 933, 934, 933, 934, 797, 798,
 igr2= 795, 931,
 &end
#
#    0 AMB  25-2:520      0 AMB  25-1:520    3.50    (#    520:25  Double Ambig)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 803, 804, 714, 715,
 igr2= 795, 712,
 &end
#
#   35 TYR  HB-          35 TYR  HA          3.50    (#    521:25  Unique         2.56, 2.81 A)
 &rst
  ixpk= 521, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 510, 511,
 &end
#
#    6 TYR  HB+           6 TYR  HA          3.50    (#    522:25  Unique         2.36, 2.69 A)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1,  72, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  74,  75,
 &end
#
#   52 ASP  HB+          49 LEU  HA          3.50    (#    523:25  Unique         3.29, 3.55 A)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 771, 772,
 &end
#
#   52 ASP  HB-          49 LEU  HA          5.50    (#    524:25  Unique         3.29, 3.55 A)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 771, 772,
 &end
#
#   49 LEU  HB+          49 LEU  HA          3.50    (#    525:25  Unique         2.69, 2.82 A)
 &rst
  ixpk= 525, nxpk= 25, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 714, 715,
 &end
#
#   49 LEU  HB-          49 LEU  HA          2.80    (#    526:25  Unique         2.69, 2.82 A)
 &rst
  ixpk= 526, nxpk= 25, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 714, 715,
 &end
#
#    0 AMB  25-2:527     49 LEU  HA          2.80    (#    527:25  Single Ambig)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1, 712, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725,
 &end
#
#   31 MET  HB+          31 MET  HA          3.50    (#    528:25  Unique         2.35, 2.45 A)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 449, 450,
 &end
#
#   35 TYR  HB+          35 TYR  HA          3.50    (#    529:25  Unique         2.56, 2.81 A)
 &rst
  ixpk= 529, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 510, 511,
 &end
#
#    6 TYR  HB-           6 TYR  HA          3.50    (#    530:25  Unique         2.36, 2.69 A)
 &rst
  ixpk= 530, nxpk= 25, iat=  -1,  72, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  74,  75,
 &end
#
#    0 AMB  25-2:531     13 ASP  HA          2.80    (#    531:25  Single Ambig)
 &rst
  ixpk= 531, nxpk= 25, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 178, 179, 178, 179,
 &end
#
#   16 VAL  HB           13 ASP  HA          2.80    (#    532:25  Unique         2.28, 2.49 A)
 &rst
  ixpk= 532, nxpk= 25, iat= 215, 176, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 VAL  MGX          13 ASP  HA          4.50    (#    533:25  Unique         2.03, 4.04 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   11 ILE  QG2          13 ASP  HA          5.50    (#    534:25  Unique         3.66, 4.72 A)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 149, 150, 151,
 &end
#
#    0 AMB  25-2:535      0 AMB  25-1:535    3.50    (#    535:25  Double Ambig)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 494, 640, 641, 642,
 igr2= 447, 489,
 &end
#
#   34 LEU  HB-          34 LEU  HA          3.50    (#    536:25  Unique         2.35, 2.69 A)
 &rst
  ixpk= 536, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 491, 492,
 &end
#
#   34 LEU  MDY           0 AMB  25-1:537    2.80    (#    537:25  Single Ambig)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 447, 489,
 &end
#
#   31 MET  HG-          31 MET  HA          4.50    (#    538:25  Unique         3.57, 3.78 A)
 &rst
  ixpk= 538, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 452, 453,
 &end
#
#   31 MET  HB-          31 MET  HA          3.50    (#    539:25  Unique         2.35, 2.45 A)
 &rst
  ixpk= 539, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 449, 450,
 &end
#
#   34 LEU  HB+          34 LEU  HA          3.50    (#    540:25  Unique         2.35, 2.69 A)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 491, 492,
 &end
#
#    0 AMB  25-2:541     31 MET  HA          5.50    (#    541:25  Single Ambig)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 435, 436, 437, 439, 440, 441, 149, 150, 151,
 &end
#
#   34 LEU  MDX           0 AMB  25-1:542    3.50    (#    542:25  Single Ambig)
 &rst
  ixpk= 542, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 447, 489,
 &end
#
#   54 ARG  HB+          52 ASP  HA          5.50    (#    543:25  Unique         4.10, 5.03 A)
 &rst
  ixpk= 543, nxpk= 25, iat=  -1, 769, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 797, 798,
 &end
#
#   16 VAL  MGY          13 ASP  HA          4.50    (#    544:25  Unique         2.03, 4.04 A)
 &rst
  ixpk= 544, nxpk= 25, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   52 ASP  HB+          52 ASP  HA          3.50    (#    548:25  Unique         2.62, 2.81 A)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1, 769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 771, 772,
 &end
#
#   52 ASP  HB-          52 ASP  HA          3.50    (#    549:25  Unique         2.62, 2.81 A)
 &rst
  ixpk= 549, nxpk= 25, iat=  -1, 769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 771, 772,
 &end
#
#    0 AMB  25-2:550     52 ASP  HA          7.00    (#    550:25  Single Ambig)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1, 769, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 797, 798, 803, 804,
 &end
#
#   51 ILE  QG2          52 ASP  HA          5.50    (#    551:25  Unique         4.21, 5.14 A)
 &rst
  ixpk= 551, nxpk= 25, iat=  -1, 769, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 754, 755, 756,
 &end
#
#    0 AMB  25-2:552     24 GLU  HA          2.80    (#    552:25  Single Ambig)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 355, 356, 352, 353, 352, 353,
 &end
#
#    3 HIS  HB+           3 HIS  HA          3.50    (#    553:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,  27, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  29,  30,
 &end
#
#   57 MET  HB+          57 MET  HA          2.80    (#    555:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1, 862, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 864, 865,
 &end
#
#   35 TYR  HB+          32 ASN  HA          5.50    (#    556:25  Unique         3.91, 4.30 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 510, 511,
 &end
#
#   32 ASN  HB-          32 ASN  HA          2.80    (#    557:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1, 464, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 466, 467,
 &end
#
#   59 GLN  HG-          59 GLN  HA          5.50    (#    558:25  Unique         2.19, 3.09 A)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 898, 899,
 &end
#
#   59 GLN  HB+          59 GLN  HA          4.50    (#    559:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 895, 896,
 &end
#
#   59 GLN  HB-          59 GLN  HA          4.50    (#    560:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 560, nxpk= 25, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 895, 896,
 &end
#
#    0 AMB  25-2:561     41 ASP  HA          2.80    (#    561:25  Single Ambig)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1, 590, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 592, 593, 592, 593,
 &end
#
#   56 ILE  QD1          53 ASN  HA          7.00    (#    562:25  Unique         2.02, 4.00 A)
 &rst
  ixpk= 562, nxpk= 25, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 854, 855, 856,
 &end
#
#    0 AMB  25-2:564     15 ALA  HA          3.50    (#    564:25  Single Ambig)
 &rst
  ixpk= 564, nxpk= 25, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 253, 254, 256, 257,
 &end
#
#   15 ALA  MB           15 ALA  HA          2.80    (#    565:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 565, nxpk= 25, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 205, 206, 207,
 &end
#
#    0 AMB  25-2:566     15 ALA  HA          5.50    (#    566:25  Single Ambig)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 758, 759, 270, 271, 272, 274, 275, 276,
 &end
#
#    0 AMB  25-2:567     15 ALA  HA          7.00    (#    567:25  Single Ambig)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 758, 759, 742, 743, 744,
 &end
#
#   50 ILE  QG2          15 ALA  HA          4.50    (#    568:25  Unique         3.11, 4.24 A)
 &rst
  ixpk= 568, nxpk= 25, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 735, 736, 737,
 &end
#
#   49 LEU  HB+          46 ALA  HA          3.50    (#    569:25  Unique         2.11, 2.16 A)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1, 664, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 714, 715,
 &end
#
#   49 LEU  HB-          46 ALA  HA          3.50    (#    570:25  Unique         2.11, 2.16 A)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1, 664, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 714, 715,
 &end
#
#   46 ALA  MB           46 ALA  HA          2.80    (#    571:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1, 664, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 666, 667, 668,
 &end
#
#    0 AMB  25-2:572     46 ALA  HA          3.50    (#    572:25  Single Ambig)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1, 664, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725,
 &end
#
#   53 ASN  HB-          53 ASN  HA          2.80    (#    573:25  Unique         2.37, 2.78 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 783, 784,
 &end
#
#   58 ASN  HB-          53 ASN  HA          7.00    (#    574:25  Unique         7.49, 8.74 A)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 881, 882,
 &end
#
#   56 ILE  HB           53 ASN  HA          5.50    (#    575:25  Unique         2.00, 2.14 A)
 &rst
  ixpk= 575, nxpk= 25, iat= 845, 781, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 GLN  HG+          40 GLN  HA          4.50    (#    576:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1, 573, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 578, 579,
 &end
#
#    0 AMB  25-2:577     40 GLN  HA          2.80    (#    577:25  Single Ambig)
 &rst
  ixpk= 577, nxpk= 25, iat=  -1, 573, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 575, 576, 578, 579,
 &end
#
#   40 GLN  HB-          40 GLN  HA          3.50    (#    578:25  Unique         2.37, 2.56 A)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1, 573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 575, 576,
 &end
#
#   45 VAL  MGY          40 GLN  HA          3.50    (#    579:25  Unique         2.16, 3.98 A)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1, 573, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#   47 TYR  HB+          44 ALA  HA          3.50    (#    580:25  Unique         3.60, 3.69 A)
 &rst
  ixpk= 580, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 676, 677,
 &end
#
#   44 ALA  MB           44 ALA  HA          2.80    (#    581:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 640, 641, 642,
 &end
#
#   34 LEU  MDY          44 ALA  HA          3.50    (#    582:25  Unique         2.06, 3.90 A)
 &rst
  ixpk= 582, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#   47 TYR  HB-          44 ALA  HA          5.50    (#    583:25  Unique         3.60, 3.69 A)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 676, 677,
 &end
#
#    7 ASP  HB+           7 ASP  HA          3.50    (#    584:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 584, nxpk= 25, iat=  -1,  93, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  95,  96,
 &end
#
#    7 ASP  HB-           7 ASP  HA          3.50    (#    585:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  93, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  95,  96,
 &end
#
#    8 ALA  MB            8 ALA  HA          2.80    (#    586:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 586, nxpk= 25, iat=  -1, 105, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 107, 108, 109,
 &end
#
#   60 ALA  MB           60 ALA  HA          4.50    (#    587:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 587, nxpk= 25, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 912, 913, 914,
 &end
#
#   36 SER  HN           36 SER  HB+         4.50    (#    594:25  Unique         2.53, 2.68 A)
 &rst
  ixpk= 594, nxpk= 25, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 531, 532,
 &end
#
#   40 GLN  HN           39 PRO  HA          5.50    (#    597:25  Unique         3.39, 3.39 A)
 &rst
  ixpk= 597, nxpk= 25, iat= 571, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ASP  HN           39 PRO  HA          5.50    (#    598:25  Unique         3.51, 3.61 A)
 &rst
  ixpk= 598, nxpk= 25, iat= 588, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 SER  HN           33 SER  HA          4.50    (#    599:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 599, nxpk= 25, iat= 476, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 SER  HN           33 SER  HB-         4.50    (#    600:25  Unique         2.07, 2.77 A)
 &rst
  ixpk= 600, nxpk= 25, iat= 476,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 480, 481,
 &end
#
#   34 LEU  HN           33 SER  HB-         4.50    (#    602:25  Unique         3.21, 3.55 A)
 &rst
  ixpk= 602, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 480, 481,
 &end
#
#   28 SER  HN            0 AMB  25-1:603    3.50    (#    603:25  Single Ambig)
 &rst
  ixpk= 603, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 407, 408, 407, 408,
 &end
#
#   29 GLU  HN            0 AMB  25-1:604    4.50    (#    604:25  Single Ambig)
 &rst
  ixpk= 604, nxpk= 25, iat= 414,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 407, 408, 407, 408,
 &end
#
#    0 AMB  25-2:605     56 ILE  HA          4.50    (#    605:25  Single Ambig)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1, 843, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 860, 891,
 &end
#
#   55 ARG  HN           56 ILE  HA          5.50    (#    606:25  Unique         4.79, 4.82 A)
 &rst
  ixpk= 606, nxpk= 25, iat= 817, 843, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 ILE  HN           10 VAL  HA          2.80    (#    608:25  Unique         2.17, 2.29 A)
 &rst
  ixpk= 608, nxpk= 25, iat= 143, 129, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:609      0 AMB  25-1:609    4.50    (#    609:25  Double Ambig)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 127, 817,
 igr2= 129, 819,
 &end
#
#    0 AMB  25-2:611     28 SER  HA          3.50    (#    611:25  Single Ambig)
 &rst
  ixpk= 611, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 403, 462,
 &end
#
#    0 AMB  25-2:612     28 SER  HA          5.50    (#    612:25  Single Ambig)
 &rst
  ixpk= 612, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 414, 429,
 &end
#
#   48 HIS  HN           48 HIS  HA          4.50    (#    616:25  Unique         2.92, 2.92 A)
 &rst
  ixpk= 616, nxpk= 25, iat= 693, 695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 LEU  HN           48 HIS  HA          5.50    (#    617:25  Unique         3.44, 3.44 A)
 &rst
  ixpk= 617, nxpk= 25, iat= 710, 695, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 ILE  HN           48 HIS  HA          4.50    (#    618:25  Unique         2.89, 2.93 A)
 &rst
  ixpk= 618, nxpk= 25, iat= 748, 695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 CYS  HN           17 LYS  HA          4.50    (#    619:25  Unique         3.32, 3.52 A)
 &rst
  ixpk= 619, nxpk= 25, iat= 280, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 LYS  HN           17 LYS  HA          3.50    (#    620:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 620, nxpk= 25, iat= 227, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:621      0 AMB  25-1:621    3.50    (#    621:25  Double Ambig)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 249, 291,
 igr2= 251, 293,
 &end
#
#    0 AMB  25-2:622     29 GLU  HA          4.50    (#    622:25  Single Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 462, 445,
 &end
#
#    0 AMB  25-2:623     29 GLU  HA          3.50    (#    623:25  Single Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 414, 429,
 &end
#
#   14 GLU  HN           14 GLU  HA          3.50    (#    624:25  Unique         2.77, 2.80 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 LYS  HN           14 GLU  HA          5.50    (#    625:25  Unique         3.65, 3.85 A)
 &rst
  ixpk= 625, nxpk= 25, iat= 227, 188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   12 ASP  HN           11 ILE  HA          2.80    (#    626:25  Unique         2.14, 2.16 A)
 &rst
  ixpk= 626, nxpk= 25, iat= 162, 145, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 ILE  HN           11 ILE  HA          4.50    (#    628:25  Unique         2.85, 2.92 A)
 &rst
  ixpk= 628, nxpk= 25, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HN           42 GLN  HA          5.50    (#    629:25  Unique         3.96, 4.20 A)
 &rst
  ixpk= 629, nxpk= 25, iat= 662, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 GLN  HN           42 GLN  HA          3.50    (#    630:25  Unique         2.75, 2.75 A)
 &rst
  ixpk= 630, nxpk= 25, iat= 600, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 VAL  HN           42 GLN  HA          4.50    (#    631:25  Unique         3.84, 3.97 A)
 &rst
  ixpk= 631, nxpk= 25, iat= 646, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 LEU  HN           42 GLN  HA          5.50    (#    632:25  Unique         3.49, 3.50 A)
 &rst
  ixpk= 632, nxpk= 25, iat= 617, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 LYS  HN           22 LYS  HA          3.50    (#    635:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 PHE  HN           23 PHE  HA          4.50    (#    636:25  Unique         2.85, 2.90 A)
 &rst
  ixpk= 636, nxpk= 25, iat= 328, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 GLU  HN           23 PHE  HA          4.50    (#    637:25  Unique         3.16, 3.28 A)
 &rst
  ixpk= 637, nxpk= 25, iat= 348, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 PHE  HD           23 PHE  HA          4.50    (#    638:25  Unique         2.18, 3.36 A)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#   62 GLU  HN           61 SER  HA          5.50    (#    639:25  Unique         2.14, 2.18 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 929, 920, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 ARG  HN           54 ARG  HA          3.50    (#    640:25  Unique         3.46, 3.49 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 817, 795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 ARG  HN           54 ARG  HA          3.50    (#    641:25  Unique         2.76, 2.78 A)
 &rst
  ixpk= 641, nxpk= 25, iat= 793, 795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 TYR  HN           35 TYR  HA          4.50    (#    642:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 642, nxpk= 25, iat= 506, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 SER  HN           35 TYR  HA          5.50    (#    643:25  Unique         3.21, 3.21 A)
 &rst
  ixpk= 643, nxpk= 25, iat= 527, 508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 TYR  HN            5 SER  HA          4.50    (#    645:25  Unique         2.14, 2.32 A)
 &rst
  ixpk= 645, nxpk= 25, iat=  70,  61, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 ASP  HN           49 LEU  HA          5.50    (#    646:25  Unique         3.66, 3.70 A)
 &rst
  ixpk= 646, nxpk= 25, iat= 767, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 LEU  HN           49 LEU  HA          4.50    (#    647:25  Unique         2.79, 2.80 A)
 &rst
  ixpk= 647, nxpk= 25, iat= 710, 712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 ILE  HN           49 LEU  HA          5.50    (#    648:25  Unique         3.44, 3.44 A)
 &rst
  ixpk= 648, nxpk= 25, iat= 729, 712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 ASP  HN            6 TYR  HA          4.50    (#    649:25  Unique         2.16, 2.67 A)
 &rst
  ixpk= 649, nxpk= 25, iat=  91,  72, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:651     13 ASP  HA          7.00    (#    651:25  Single Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 201, 162,
 &end
#
#    0 AMB  25-2:652     13 ASP  HA          4.50    (#    652:25  Single Ambig)
 &rst
  ixpk= 652, nxpk= 25, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 211, 186,
 &end
#
#   34 LEU  HN            0 AMB  25-1:653    3.50    (#    653:25  Single Ambig)
 &rst
  ixpk= 653, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 489, 447,
 &end
#
#   35 TYR  HN           34 LEU  HA          4.50    (#    654:25  Unique         3.50, 3.51 A)
 &rst
  ixpk= 654, nxpk= 25, iat= 506, 489, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:655     31 MET  HA          3.50    (#    655:25  Single Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 445, 462,
 &end
#
#   13 ASP  HN           13 ASP  HA          4.50    (#    656:25  Unique         2.75, 2.76 A)
 &rst
  ixpk= 656, nxpk= 25, iat= 174, 176, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 LYS  HN           13 ASP  HA          5.50    (#    657:25  Unique         3.94, 4.14 A)
 &rst
  ixpk= 657, nxpk= 25, iat= 227, 176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 ASP  HN           52 ASP  HA          3.50    (#    659:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 659, nxpk= 25, iat= 767, 769, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 ASN  HN           52 ASP  HA          5.50    (#    660:25  Unique         3.49, 3.50 A)
 &rst
  ixpk= 660, nxpk= 25, iat= 779, 769, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 CYS  HN           24 GLU  HA          3.50    (#    661:25  Unique         2.73, 2.90 A)
 &rst
  ixpk= 661, nxpk= 25, iat= 363, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 GLU  HN           24 GLU  HA          7.00    (#    662:25  Unique         5.00, 5.07 A)
 &rst
  ixpk= 662, nxpk= 25, iat= 291, 350, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   24 GLU  HN           24 GLU  HA          2.80    (#    663:25  Unique         2.27, 2.28 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 MET  HN           57 MET  HA          4.50    (#    666:25  Unique         2.78, 2.88 A)
 &rst
  ixpk= 666, nxpk= 25, iat= 860, 862, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:667      0 AMB  25-1:667    3.50    (#    667:25  Double Ambig)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 462, 908,
 igr2= 464, 862,
 &end
#
#   35 TYR  HN           32 ASN  HA          5.50    (#    668:25  Unique         3.42, 3.45 A)
 &rst
  ixpk= 668, nxpk= 25, iat= 506, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 SER  HN           32 ASN  HA          5.50    (#    669:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 669, nxpk= 25, iat= 476, 464, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:670     59 GLN  HA          5.50    (#    670:25  Single Ambig)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 908, 918,
 &end
#
#   42 GLN  HN           41 ASP  HA          2.80    (#    671:25  Unique         2.24, 2.30 A)
 &rst
  ixpk= 671, nxpk= 25, iat= 600, 590, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   41 ASP  HN           41 ASP  HA          3.50    (#    672:25  Unique         2.76, 2.82 A)
 &rst
  ixpk= 672, nxpk= 25, iat= 588, 590, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 LEU  HN           46 ALA  HA          4.50    (#    673:25  Unique         3.10, 3.11 A)
 &rst
  ixpk= 673, nxpk= 25, iat= 710, 664, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 ALA  HN           15 ALA  HA          4.50    (#    674:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 201, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 VAL  HN           15 ALA  HA          5.50    (#    675:25  Unique         3.48, 3.53 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 211, 203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 GLU  HN           15 ALA  HA          4.50    (#    676:25  Unique         3.09, 3.23 A)
 &rst
  ixpk= 676, nxpk= 25, iat= 249, 203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HN           46 ALA  HA          5.50    (#    677:25  Unique         3.49, 3.49 A)
 &rst
  ixpk= 677, nxpk= 25, iat= 672, 664, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HN           46 ALA  HA          3.50    (#    678:25  Unique         2.74, 2.75 A)
 &rst
  ixpk= 678, nxpk= 25, iat= 662, 664, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 ARG  HN           53 ASN  HA          4.50    (#    679:25  Unique         3.42, 3.45 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 793, 781, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 ASN  HN           53 ASN  HA          4.50    (#    680:25  Unique         2.77, 2.79 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 779, 781, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 GLN  HN           40 GLN  HA          3.50    (#    681:25  Unique         2.90, 2.93 A)
 &rst
  ixpk= 681, nxpk= 25, iat= 571, 573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASP  HN           40 GLN  HA          3.50    (#    682:25  Unique         3.03, 3.09 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 588, 573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 VAL  HN           44 ALA  HA          5.50    (#    683:25  Unique         3.41, 3.42 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 646, 638, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:684     44 ALA  HA          7.00    (#    684:25  Single Ambig)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 693, 462,
 &end
#
#   47 TYR  HN           44 ALA  HA          5.50    (#    685:25  Unique         4.03, 4.04 A)
 &rst
  ixpk= 685, nxpk= 25, iat= 672, 638, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 ALA  HN           44 ALA  HA          4.50    (#    686:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 686, nxpk= 25, iat= 636, 638, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 ALA  HN            7 ASP  HA          3.50    (#    687:25  Unique         2.14, 2.43 A)
 &rst
  ixpk= 687, nxpk= 25, iat= 103,  93, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 ASP  HN            7 ASP  HA          4.50    (#    688:25  Unique         2.83, 2.92 A)
 &rst
  ixpk= 688, nxpk= 25, iat=  91,  93, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 ASN  HN            8 ALA  HA          5.50    (#    689:25  Unique         3.40, 3.48 A)
 &rst
  ixpk= 689, nxpk= 25, iat= 113, 105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    8 ALA  HN            8 ALA  HA          4.50    (#    690:25  Unique         2.85, 2.91 A)
 &rst
  ixpk= 690, nxpk= 25, iat= 103, 105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:691     60 ALA  HA          5.50    (#    691:25  Single Ambig)
 &rst
  ixpk= 691, nxpk= 25, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 918, 908,
 &end
#
#   11 ILE  HG1+         16 VAL  HA          5.50    (#    694:25  Unique         7.17, 8.43 A)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 153, 154,
 &end
#
#   19 VAL  MGY          16 VAL  HA          4.50    (#    695:25  Unique         2.00, 3.50 A)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#    0 AMB  25-2:696     16 VAL  HA          2.80    (#    696:25  Single Ambig)
 &rst
  ixpk= 696, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
       222, 223,
 &end
#
#   16 VAL  MGX          16 VAL  HA          2.80    (#    697:25  Unique         2.28, 3.11 A)
 &rst
  ixpk= 697, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   30 VAL  MGX          16 VAL  HA          3.50    (#    698:25  Unique         3.22, 4.71 A)
 &rst
  ixpk= 698, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   34 LEU  HB-          30 VAL  HA          5.50    (#    699:25  Unique         7.14, 7.53 A)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 491, 492,
 &end
#
#   30 VAL  HB           30 VAL  HA          4.50    (#    701:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 701, nxpk= 25, iat= 433, 431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 LEU  HB+          30 VAL  HA          4.50    (#    702:25  Unique         2.07, 2.79 A)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#    0 AMB  25-2:703     30 VAL  HA          2.80    (#    703:25  Single Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 621, 622, 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:704     30 VAL  HA          2.80    (#    704:25  Single Ambig)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 &end
#
#   43 LEU  MDY          30 VAL  HA          5.50    (#    705:25  Unique         2.13, 3.87 A)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   54 ARG  HD-          51 ILE  HA          2.80    (#    706:25  Unique         2.06, 3.42 A)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 803, 804,
 &end
#
#   54 ARG  HD+          51 ILE  HA          5.50    (#    707:25  Unique         2.06, 3.42 A)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 803, 804,
 &end
#
#   51 ILE  HG1-         51 ILE  HA          4.50    (#    708:25  Unique         2.66, 3.00 A)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 758, 759,
 &end
#
#   51 ILE  HG1+         51 ILE  HA          4.50    (#    709:25  Unique         2.66, 3.00 A)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 758, 759,
 &end
#
#   51 ILE  QG2          51 ILE  HA          2.80    (#    710:25  Unique         2.24, 2.96 A)
 &rst
  ixpk= 710, nxpk= 25, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 754, 755, 756,
 &end
#
#   51 ILE  QD1          51 ILE  HA          4.50    (#    711:25  Unique         4.41, 4.69 A)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 761, 762, 763,
 &end
#
#   27 GLU  HB+          27 GLU  HA          2.80    (#    712:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 392, 393,
 &end
#
#   27 GLU  HB-          27 GLU  HA          2.80    (#    713:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 392, 393,
 &end
#
#    0 AMB  25-2:714     27 GLU  HA          4.50    (#    714:25  Single Ambig)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
       440, 441,
 &end
#
#   16 VAL  MGX          27 GLU  HA          3.50    (#    715:25  Unique         2.44, 4.50 A)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   30 VAL  MGX          27 GLU  HA          5.50    (#    716:25  Unique         2.67, 4.58 A)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:718      0 AMB  25-1:718    2.80    (#    718:25  Double Ambig)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 803, 804, 797, 798,
 igr2= 800, 801, 800, 801,
 &end
#
#   54 ARG  HD+          54 ARG  HG+         4.50    (#    719:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#    0 AMB  25-2:720      0 AMB  25-1:720    5.50    (#    720:25  Double Ambig)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 754, 755, 756, 735, 736, 737,
 igr2= 800, 801, 800, 801,
 &end
#
#    0 AMB  25-2:721     54 ARG  HG-         2.80    (#    721:25  Single Ambig)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 803, 804, 797, 798,
 igr2= 800, 801,
 &end
#
#   54 ARG  HD+          54 ARG  HG-         4.50    (#    722:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#    0 AMB  25-2:723     54 ARG  HG-         5.50    (#    723:25  Single Ambig)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 754, 755, 756, 735, 736, 737,
 igr2= 800, 801,
 &end
#
#   15 ALA  MB           12 ASP  HB+         3.50    (#    728:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 728, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 205, 206, 207,
 igr2= 166, 167,
 &end
#
#   51 ILE  QG2          12 ASP  HB+         5.50    (#    729:25  Unique         4.71, 5.85 A)
 &rst
  ixpk= 729, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 754, 755, 756,
 igr2= 166, 167,
 &end
#
#   51 ILE  QD1          12 ASP  HB+         3.50    (#    730:25  Unique         2.52, 3.51 A)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 761, 762, 763,
 igr2= 166, 167,
 &end
#
#   44 ALA  MB            0 AMB  25-1:731    3.50    (#    731:25  Single Ambig)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 640, 641, 642,
 igr2= 592, 593, 592, 593,
 &end
#
#    0 AMB  25-2:732     17 LYS  HE-         5.50    (#    732:25  Single Ambig)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 231, 232, 231, 232,
 igr2= 240, 241,
 &end
#
#   17 LYS  HG+          17 LYS  HE-         5.50    (#    734:25  Unique         2.19, 3.10 A)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 234, 235,
 igr2= 240, 241,
 &end
#
#   17 LYS  HG-          17 LYS  HE-         5.50    (#    735:25  Unique         2.19, 3.10 A)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 234, 235,
 igr2= 240, 241,
 &end
#
#   16 VAL  MGY           0 AMB  25-1:741    5.50    (#    741:25  Single Ambig)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 217, 218, 219, 221, 222, 223,
 igr2= 178, 179, 178, 179,
 &end
#
#   10 VAL  MGY           7 ASP  HB+         4.50    (#    742:25  Unique         2.16, 4.98 A)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 133, 134, 135, 137, 138, 139,
 igr2=  95,  96,
 &end
#
#   14 GLU  HB-           0 AMB  25-1:743    5.50    (#    743:25  Single Ambig)
 &rst
  ixpk= 743, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 190, 191,
 igr2= 178, 179, 178, 179,
 &end
#
#   11 ILE  QG2           0 AMB  25-1:744    7.00    (#    744:25  Single Ambig)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 149, 150, 151,
 igr2= 178, 179, 178, 179,
 &end
#
#    0 AMB  25-2:747      0 AMB  25-1:747    5.50    (#    747:25  Double Ambig)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.35, r4=13.10,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725, 824, 825, 824, 825,
 igr2= 771, 772, 771, 772, 771, 772, 771, 772,
 &end
#
#   51 ILE  HG1-         52 ASP  HB-         7.00    (#    748:25  Unique         5.55, 6.59 A)
 &rst
  ixpk= 748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 758, 759,
 igr2= 771, 772,
 &end
#
#    0 AMB  25-2:749     52 ASP  HB-         7.00    (#    749:25  Single Ambig)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.47, r4=13.22,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725, 824, 825, 824, 825,
 igr2= 771, 772,
 &end
#
#    0 AMB  25-2:750      0 AMB  25-1:750    5.50    (#    750:25  Double Ambig)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.35, r4=13.10,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725, 824, 825, 824, 825,
 igr2= 771, 772, 771, 772, 771, 772, 771, 772,
 &end
#
#   43 LEU  MDY          23 PHE  HB+         4.50    (#    751:25  Unique         2.07, 4.22 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:752      0 AMB  25-1:752    5.50    (#    752:25  Double Ambig)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
 igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
       275, 276, 621, 622,
 igr2= 332, 333, 332, 333, 332, 333,
 &end
#
#    0 AMB  25-2:753     23 PHE  HB-         4.50    (#    753:25  Single Ambig)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
 igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
       275, 276, 621, 622,
 igr2= 332, 333,
 &end
#
#   43 LEU  MDX          23 PHE  HB-         7.00    (#    754:25  Unique         2.07, 4.22 A)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 332, 333,
 &end
#
#   43 LEU  MDY          23 PHE  HB-         4.50    (#    755:25  Unique         2.07, 4.22 A)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:756      0 AMB  25-1:756    5.50    (#    756:25  Double Ambig)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1= 133, 134, 135, 137, 138, 139, 824, 825,
 igr2= 117, 118, 881, 882,
 &end
#
#   19 VAL  MGY          47 TYR  HB+         4.50    (#    757:25  Unique         2.97, 5.18 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 676, 677,
 &end
#
#    0 AMB  25-2:758      0 AMB  25-1:758    5.50    (#    758:25  Double Ambig)
 &rst
  ixpk= 758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
       275, 276,
 igr2= 676, 677, 676, 677,
 &end
#
#   30 VAL  MGX          47 TYR  HB+         5.50    (#    759:25  Unique         2.88, 5.31 A)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 676, 677,
 &end
#
#   34 LEU  MDY          47 TYR  HB+         4.50    (#    760:25  Unique         3.43, 5.03 A)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 676, 677,
 &end
#
#    0 AMB  25-2:761     47 TYR  HB-         5.50    (#    761:25  Single Ambig)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
       275, 276,
 igr2= 676, 677,
 &end
#
#   19 VAL  MGY          47 TYR  HB-         3.50    (#    762:25  Unique         2.97, 5.18 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 676, 677,
 &end
#
#    0 AMB  25-2:763     47 TYR  HB-         5.50    (#    763:25  Single Ambig)
 &rst
  ixpk= 763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 435, 436, 437, 439, 440, 441, 270, 271, 272, 274,
       275, 276,
 igr2= 676, 677,
 &end
#
#   34 LEU  MDY          47 TYR  HB-         4.50    (#    764:25  Unique         3.43, 5.03 A)
 &rst
  ixpk= 764, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 676, 677,
 &end
#
#   30 VAL  MGX          47 TYR  HB-         5.50    (#    765:25  Unique         2.88, 5.31 A)
 &rst
  ixpk= 765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 676, 677,
 &end
#
#   31 MET  HB+          31 MET  HG+         2.80    (#    767:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 449, 450,
 igr2= 452, 453,
 &end
#
#   31 MET  HB-          31 MET  HG+         3.50    (#    768:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 449, 450,
 igr2= 452, 453,
 &end
#
#    0 AMB  25-2:769      0 AMB  25-1:769    7.00    (#    769:25  Double Ambig)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
 igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
       440, 441,
 igr2= 452, 453, 452, 453,
 &end
#
#   43 LEU  MDY          25 CYS  HB+         5.50    (#    770:25  Unique         2.36, 4.42 A)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 367, 368,
 &end
#
#   29 GLU  HB-          25 CYS  HB+         5.50    (#    771:25  Unique         2.18, 3.54 A)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 418, 419,
 igr2= 367, 368,
 &end
#
#   26 THR  MG2          25 CYS  HB+         7.00    (#    773:25  Unique         4.03, 5.92 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 380, 381, 382,
 igr2= 367, 368,
 &end
#
#   30 VAL  MGY          25 CYS  HB+         7.00    (#    774:25  Unique         3.14, 6.20 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 367, 368,
 &end
#
#    0 AMB  25-2:775      0 AMB  25-1:775    5.50    (#    775:25  Double Ambig)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 igr2= 367, 368, 367, 368,
 &end
#
#   25 CYS  HB+          25 CYS  HA          2.80    (#    776:25  Unique         2.40, 2.68 A)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1, 365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 367, 368,
 &end
#
#   25 CYS  HB-          25 CYS  HA          2.80    (#    777:25  Unique         2.40, 2.68 A)
 &rst
  ixpk= 777, nxpk= 25, iat=  -1, 365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 367, 368,
 &end
#
#   26 THR  MG2          25 CYS  HA          5.50    (#    778:25  Unique         3.56, 4.62 A)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1, 365, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 380, 381, 382,
 &end
#
#   26 THR  HN           25 CYS  HA          3.50    (#    779:25  Unique         2.51, 2.60 A)
 &rst
  ixpk= 779, nxpk= 25, iat= 374, 365, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 CYS  HN           25 CYS  HA          4.50    (#    780:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 780, nxpk= 25, iat= 363, 365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:781      0 AMB  25-1:781    3.50    (#    781:25  Double Ambig)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725,
 igr2= 714, 715, 714, 715,
 &end
#
#    0 AMB  25-2:782     49 LEU  HB-         3.50    (#    782:25  Single Ambig)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725,
 igr2= 714, 715,
 &end
#
#   34 LEU  HG           34 LEU  HB+         3.50    (#    783:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 783, nxpk= 25, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 491, 492,
 &end
#
#   34 LEU  MDY          34 LEU  HB+         4.50    (#    785:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 491, 492,
 &end
#
#   34 LEU  MDX          34 LEU  HB+         3.50    (#    786:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 491, 492,
 &end
#
#   43 LEU  MDY          43 LEU  HB+         4.50    (#    788:25  Unique         2.28, 3.28 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-2:790      0 AMB  25-1:790    3.50    (#    790:25  Double Ambig)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 igr2= 621, 622, 621, 622,
 &end
#
#   56 ILE  HG1+         56 ILE  HB          4.50    (#    792:25  Unique         2.43, 2.62 A)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 851, 852,
 &end
#
#   56 ILE  QG2          56 ILE  HB          2.80    (#    793:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 847, 848, 849,
 &end
#
#    0 AMB  25-2:794     50 ILE  HB          5.50    (#    794:25  Single Ambig)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 758, 759, 270, 271, 272, 274, 275, 276,
 &end
#
#   50 ILE  HG1+         50 ILE  HB          4.50    (#    795:25  Unique         2.60, 2.83 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 739, 740,
 &end
#
#   50 ILE  QD1          50 ILE  HB          3.50    (#    796:25  Unique         2.10, 2.92 A)
 &rst
  ixpk= 796, nxpk= 25, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 742, 743, 744,
 &end
#
#   50 ILE  QG2          50 ILE  HB          2.80    (#    797:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 797, nxpk= 25, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 735, 736, 737,
 &end
#
#   11 ILE  HG1+         11 ILE  HB          3.50    (#    799:25  Unique         2.43, 2.62 A)
 &rst
  ixpk= 799, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 153, 154,
 &end
#
#   11 ILE  QG2          11 ILE  HB          2.80    (#    800:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 149, 150, 151,
 &end
#
#   51 ILE  HG1-         51 ILE  HB          3.50    (#    801:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 758, 759,
 &end
#
#   51 ILE  HG1+         51 ILE  HB          4.50    (#    802:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 802, nxpk= 25, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 758, 759,
 &end
#
#   51 ILE  QG2          51 ILE  HB          2.80    (#    803:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 754, 755, 756,
 &end
#
#   51 ILE  QD1          51 ILE  HB          4.50    (#    804:25  Unique         2.47, 3.19 A)
 &rst
  ixpk= 804, nxpk= 25, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 761, 762, 763,
 &end
#
#    0 AMB  25-2:806      0 AMB  25-1:806    4.50    (#    806:25  Double Ambig)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 742, 743, 744, 758, 759,
 igr2= 256, 257, 298, 299, 256, 257,
 &end
#
#   43 LEU  MDY          42 GLN  HG-         5.50    (#    807:25  Unique         2.88, 4.86 A)
 &rst
  ixpk= 807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 607, 608,
 &end
#
#   22 LYS  HG+          22 LYS  HB+         4.50    (#    808:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 313, 314,
 igr2= 310, 311,
 &end
#
#   22 LYS  HG+          22 LYS  HB-         4.50    (#    809:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 313, 314,
 igr2= 310, 311,
 &end
#
#   22 LYS  HG-          22 LYS  HB-         4.50    (#    810:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 313, 314,
 igr2= 310, 311,
 &end
#
#    0 AMB  25-2:812      0 AMB  25-1:812    2.80    (#    812:25  Double Ambig)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1= 824, 825, 824, 825, 824, 825, 133, 134, 135, 137,
       138, 139,
 igr2= 821, 822, 821, 822, 821, 822, 131,
 &end
#
#   45 VAL  MGY          45 VAL  HB          2.80    (#    813:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 813, nxpk= 25, iat=  -1, 650, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#    0 AMB  25-2:815     30 VAL  HB          2.80    (#    815:25  Single Ambig)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
       222, 223,
 &end
#
#   16 VAL  MGX          30 VAL  HB          5.50    (#    816:25  Unique         2.68, 4.71 A)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   30 VAL  MGX          30 VAL  HB          2.80    (#    817:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   30 VAL  MGX          31 MET  HB+         5.50    (#    818:25  Unique         4.22, 6.54 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 449, 450,
 &end
#
#   50 ILE  QD1          18 GLU  HB+         5.50    (#    819:25  Unique         2.00, 2.87 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 742, 743, 744,
 igr2= 253, 254,
 &end
#
#   19 VAL  MGY          18 GLU  HB-         7.00    (#    820:25  Unique         3.35, 5.32 A)
 &rst
  ixpk= 820, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 253, 254,
 &end
#
#   50 ILE  QD1          18 GLU  HB-         4.50    (#    821:25  Unique         2.00, 2.87 A)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 742, 743, 744,
 igr2= 253, 254,
 &end
#
#   50 ILE  QG2          18 GLU  HB-         5.50    (#    822:25  Unique         2.00, 3.20 A)
 &rst
  ixpk= 822, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 735, 736, 737,
 igr2= 253, 254,
 &end
#
#    0 AMB  25-2:824      0 AMB  25-1:824    5.50    (#    824:25  Double Ambig)
 &rst
  ixpk= 824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
       222, 223,
 igr2= 418, 419, 237, 238,
 &end
#
#    0 AMB  25-2:825     29 GLU  HB-         3.50    (#    825:25  Single Ambig)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 igr2= 418, 419,
 &end
#
#   50 ILE  QG2          50 ILE  HG1-        4.50    (#    826:25  Unique         2.10, 3.34 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 735, 736, 737,
 igr2= 739, 740,
 &end
#
#   50 ILE  QG2          18 GLU  HB+         5.50    (#    827:25  Unique         2.00, 3.20 A)
 &rst
  ixpk= 827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 735, 736, 737,
 igr2= 253, 254,
 &end
#
#   50 ILE  QD1          50 ILE  HG1-        2.80    (#    829:25  Unique         2.21, 2.62 A)
 &rst
  ixpk= 829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 742, 743, 744,
 igr2= 739, 740,
 &end
#
#    0 AMB  25-2:830      0 AMB  25-1:830    5.50    (#    830:25  Double Ambig)
 &rst
  ixpk= 830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 435, 436, 437, 439, 440, 441, 735, 736, 737,
 igr2= 392, 393, 190, 191,
 &end
#
#   16 VAL  MGX          27 GLU  HB-         4.50    (#    831:25  Unique         2.00, 4.63 A)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 217, 218, 219, 221, 222, 223,
 igr2= 392, 393,
 &end
#
#   16 VAL  MGX          27 GLU  HB+         5.50    (#    832:25  Unique         2.00, 4.63 A)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 217, 218, 219, 221, 222, 223,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-2:833      0 AMB  25-1:833    7.00    (#    833:25  Double Ambig)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
 igr1= 652, 653, 654, 656, 657, 658, 435, 436, 437, 439,
       440, 441,
 igr2= 575, 576, 392, 393,
 &end
#
#   22 LYS  HG+          22 LYS  HD-         2.80    (#    834:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 313, 314,
 igr2= 316, 317,
 &end
#
#   22 LYS  HG-          22 LYS  HD-         4.50    (#    835:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 313, 314,
 igr2= 316, 317,
 &end
#
#   43 LEU  MDY           0 AMB  25-1:836    5.50    (#    836:25  Single Ambig)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 604, 605, 604, 605,
 &end
#
#    0 AMB  25-2:837      0 AMB  25-1:837    5.50    (#    837:25  Double Ambig)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1= 652, 653, 654, 656, 657, 658, 313, 314,
 igr2= 604, 605, 604, 605,
 &end
#
#    0 AMB  25-2:839     56 ILE  HG1-        3.50    (#    839:25  Single Ambig)
 &rst
  ixpk= 839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 854, 855, 856, 847, 848, 849,
 igr2= 851, 852,
 &end
#
#    0 AMB  25-2:841     49 LEU  HG          2.80    (#    841:25  Single Ambig)
 &rst
  ixpk= 841, nxpk= 25, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725,
 &end
#
#   43 LEU  HB-          43 LEU  HG          4.50    (#    842:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 842, nxpk= 25, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#   43 LEU  MDX          43 LEU  HG          2.80    (#    843:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   43 LEU  MDY          43 LEU  HG          2.80    (#    844:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 844, nxpk= 25, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   19 VAL  MGY          46 ALA  MB          3.50    (#    847:25  Unique         2.00, 4.88 A)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 666, 667, 668,
 &end
#
#   19 VAL  MGX          46 ALA  MB          4.50    (#    848:25  Unique         2.00, 4.88 A)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 666, 667, 668,
 &end
#
#    0 AMB  25-2:849     46 ALA  MB          5.50    (#    849:25  Single Ambig)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1= 652, 653, 654, 656, 657, 658, 719, 720, 721, 723,
       724, 725, 719, 720, 721, 723, 724, 725,
 igr2= 666, 667, 668,
 &end
#
#   50 ILE  QD1          46 ALA  MB          5.50    (#    850:25  Unique         2.41, 4.51 A)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 742, 743, 744,
 igr2= 666, 667, 668,
 &end
#
#   43 LEU  MDY          46 ALA  MB          5.50    (#    851:25  Unique         3.74, 6.55 A)
 &rst
  ixpk= 851, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 666, 667, 668,
 &end
#
#   34 LEU  MDX          46 ALA  MB          5.50    (#    852:25  Unique         7.10, 9.74 A)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 666, 667, 668,
 &end
#
#   30 VAL  MGY          34 LEU  MDY         5.50    (#    853:25  Unique         3.20, 6.75 A)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   34 LEU  HB+          34 LEU  MDY         4.50    (#    854:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 491, 492,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:855     34 LEU  MDY         2.80    (#    855:25  Single Ambig)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 640, 641, 642, 494,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   34 LEU  HB-          34 LEU  MDY         3.50    (#    856:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 491, 492,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:857     34 LEU  MDY         4.50    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 435, 436, 437, 439, 440, 441, 149, 150, 151,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   11 ILE  QD1          34 LEU  MDY         5.50    (#    858:25  Unique         2.39, 6.02 A)
 &rst
  ixpk= 858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 156, 157, 158,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:859     43 LEU  MDY         5.50    (#    859:25  Single Ambig)
 &rst
  ixpk= 859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 604, 605, 604, 605,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:860     43 LEU  MDY         4.50    (#    860:25  Single Ambig)
 &rst
  ixpk= 860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 621, 622, 418, 419,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   46 ALA  MB           43 LEU  MDY         5.50    (#    861:25  Unique         3.74, 6.55 A)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 666, 667, 668,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   43 LEU  HG           43 LEU  MDY         3.50    (#    862:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 862, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   44 ALA  MB           43 LEU  MDY         7.00    (#    863:25  Unique         6.25, 8.12 A)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1= 640, 641, 642,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   19 VAL  MGY          43 LEU  MDY         5.50    (#    864:25  Unique         4.50, 7.08 A)
 &rst
  ixpk= 864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:865     43 LEU  MDY         3.50    (#    865:25  Single Ambig)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 435, 436, 437, 439, 440, 441, 621, 622,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   50 ILE  QD1          43 LEU  MDY         7.00    (#    867:25  Unique         6.64, 9.42 A)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1= 742, 743, 744,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   51 ILE  HB           51 ILE  QD1         4.50    (#    871:25  Unique         2.47, 3.19 A)
 &rst
  ixpk= 871, nxpk= 25, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 761, 762, 763,
 &end
#
#   15 ALA  MB           51 ILE  QD1         3.50    (#    872:25  Unique         2.00, 3.22 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 205, 206, 207,
 igr2= 761, 762, 763,
 &end
#
#   51 ILE  HG1-         51 ILE  QD1         3.50    (#    873:25  Unique         2.21, 2.62 A)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 758, 759,
 igr2= 761, 762, 763,
 &end
#
#    0 AMB  25-2:874     51 ILE  QD1         5.50    (#    874:25  Single Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 217, 218, 219, 221, 222, 223, 270, 271, 272, 274,
       275, 276,
 igr2= 761, 762, 763,
 &end
#
#   51 ILE  HG1+         51 ILE  QD1         3.50    (#    875:25  Unique         2.21, 2.62 A)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 758, 759,
 igr2= 761, 762, 763,
 &end
#
#   51 ILE  QG2          51 ILE  QD1         2.80    (#    876:25  Unique         2.06, 3.56 A)
 &rst
  ixpk= 876, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 754, 755, 756,
 igr2= 761, 762, 763,
 &end
#
#   11 ILE  QG2          51 ILE  QD1         5.50    (#    877:25  Unique         6.04, 8.08 A)
 &rst
  ixpk= 877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 149, 150, 151,
 igr2= 761, 762, 763,
 &end
#
#   45 VAL  MGY          39 PRO  HA          5.50    (#    885:25  Unique         4.73, 7.41 A)
 &rst
  ixpk= 885, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#    0 AMB  25-2:886     39 PRO  HA          7.00    (#    886:25  Single Ambig)
 &rst
  ixpk= 886, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 545, 538,
 &end
#
#   54 ARG  HG-          51 ILE  HA          5.50    (#    887:25  Unique         2.12, 3.81 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 800, 801,
 &end
#
#   54 ARG  HN           51 ILE  HA          5.50    (#    888:25  Unique         3.67, 3.87 A)
 &rst
  ixpk= 888, nxpk= 25, iat= 793, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 LEU  HN           43 LEU  HA          4.50    (#    889:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 617, 619, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HN           43 LEU  HA          5.50    (#    890:25  Unique         3.39, 3.41 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 662, 619, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 LEU  HB+          43 LEU  HA          4.50    (#    891:25  Unique         2.45, 2.76 A)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#   46 ALA  MB           43 LEU  HA          3.50    (#    892:25  Unique         2.77, 3.66 A)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 666, 667, 668,
 &end
#
#   43 LEU  HG           43 LEU  HA          4.50    (#    893:25  Unique         3.02, 3.07 A)
 &rst
  ixpk= 893, nxpk= 25, iat= 624, 619, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 LEU  HB-          43 LEU  HA          2.80    (#    894:25  Unique         2.45, 2.76 A)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 621, 622,
 &end
#
#   43 LEU  MDX          43 LEU  HA          5.50    (#    895:25  Unique         2.00, 3.75 A)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   43 LEU  MDY          43 LEU  HA          2.80    (#    896:25  Unique         2.00, 3.75 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   47 TYR  HD           44 ALA  HA          5.50    (#    897:25  Unique         4.98, 5.67 A)
 &rst
  ixpk= 897, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 680, 689,
 &end
#
#   38 ASP  HN           38 ASP  HA          4.50    (#    907:25  Unique         2.93, 2.93 A)
 &rst
  ixpk= 907, nxpk= 25, iat= 545, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 ASP  HB-          38 ASP  HA          4.50    (#    910:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 549, 550,
 &end
#
#   38 ASP  HB+          38 ASP  HA          3.50    (#    911:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 911, nxpk= 25, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 549, 550,
 &end
#
#    0 AMB  25-2:912     38 ASP  HA          5.50    (#    912:25  Single Ambig)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 561, 562, 575, 576,
 &end
#
#   51 ILE  HA           54 ARG  HG+         5.50    (#    914:25  Unique         2.12, 3.81 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 800, 801,
 &end
#
#   54 ARG  HA           54 ARG  HG+         5.50    (#    915:25  Unique         2.19, 3.18 A)
 &rst
  ixpk= 915, nxpk= 25, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 800, 801,
 &end
#
#   54 ARG  HA           54 ARG  HG-         5.50    (#    916:25  Unique         2.19, 3.18 A)
 &rst
  ixpk= 916, nxpk= 25, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 800, 801,
 &end
#
#   34 LEU  HG           34 LEU  HB-         4.50    (#    919:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 919, nxpk= 25, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 491, 492,
 &end
#
#   34 LEU  MDY          34 LEU  HB-         4.50    (#    920:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 491, 492,
 &end
#
#   34 LEU  MDX          34 LEU  HB-         4.50    (#    921:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 491, 492,
 &end
#
#    0 AMB  25-2:922     43 LEU  HB-         4.50    (#    922:25  Single Ambig)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 604, 605, 604, 605,
 igr2= 621, 622,
 &end
#
#   43 LEU  HG           43 LEU  HB-         4.50    (#    924:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 924, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-2:925     43 LEU  HB-         3.50    (#    925:25  Single Ambig)
 &rst
  ixpk= 925, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 igr2= 621, 622,
 &end
#
#   43 LEU  MDY          43 LEU  HB-         4.50    (#    926:25  Unique         2.28, 3.28 A)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 621, 622,
 &end
#
#   33 SER  HB-          43 LEU  HB-         5.50    (#    927:25  Unique         2.62, 3.22 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 480, 481,
 igr2= 621, 622,
 &end
#
#   44 ALA  HN           43 LEU  HB-         5.50    (#    928:25  Unique         2.51, 3.12 A)
 &rst
  ixpk= 928, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 621, 622,
 &end
#
#   43 LEU  HG           43 LEU  HB+         3.50    (#    929:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 929, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 621, 622,
 &end
#
#   30 VAL  HA           43 LEU  HB+         5.50    (#    930:25  Unique         2.07, 2.79 A)
 &rst
  ixpk= 930, nxpk= 25, iat= 431,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 621, 622,
 &end
#
#   33 SER  HB-          43 LEU  HB+         5.50    (#    931:25  Unique         2.62, 3.22 A)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 480, 481,
 igr2= 621, 622,
 &end
#
#   56 ILE  HG1-         56 ILE  HB          4.50    (#    932:25  Unique         2.43, 2.62 A)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 851, 852,
 &end
#
#   57 MET  HN           56 ILE  HB          5.50    (#    933:25  Unique         2.72, 2.93 A)
 &rst
  ixpk= 933, nxpk= 25, iat= 860, 845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 THR  HN            0 AMB  25-1:934    5.50    (#    934:25  Single Ambig)
 &rst
  ixpk= 934, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 421, 422, 421, 422,
 &end
#
#    0 AMB  25-2:935      0 AMB  25-1:935    5.50    (#    935:25  Double Ambig)
 &rst
  ixpk= 935, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 407, 408, 407, 408, 407, 408,
 igr2= 421, 422, 421, 422, 421, 422,
 &end
#
#    0 AMB  25-2:936      0 AMB  25-1:936    5.50    (#    936:25  Double Ambig)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 367, 368, 367, 368,
 igr2= 421, 422, 421, 422,
 &end
#
#   26 THR  MG2           0 AMB  25-1:937    5.50    (#    937:25  Single Ambig)
 &rst
  ixpk= 937, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 380, 381, 382,
 igr2= 421, 422, 421, 422,
 &end
#
#   30 VAL  MGY           0 AMB  25-1:938    5.50    (#    938:25  Single Ambig)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 421, 422, 421, 422,
 &end
#
#    0 AMB  25-2:939      0 AMB  25-1:939    5.50    (#    939:25  Double Ambig)
 &rst
  ixpk= 939, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 igr2= 421, 422, 421, 422, 421, 422,
 &end
#
#   12 ASP  HN           11 ILE  HB          5.50    (#    940:25  Unique         3.93, 4.11 A)
 &rst
  ixpk= 940, nxpk= 25, iat= 162, 147, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:942      0 AMB  25-1:942    7.00    (#    942:25  Double Ambig)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 752, 845,
 igr2= 771, 772, 771, 772,
 &end
#
#   19 VAL  HB           30 VAL  MGX         4.50    (#    943:25  Unique         2.20, 3.65 A)
 &rst
  ixpk= 943, nxpk= 25, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   30 VAL  HB           30 VAL  MGX         2.80    (#    944:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 944, nxpk= 25, iat= 433,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:945      0 AMB  25-1:945    5.50    (#    945:25  Double Ambig)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 650, 621, 622,
 igr2= 652, 653, 654, 656, 657, 658, 435, 436, 437, 439,
       440, 441,
 &end
#
#   34 LEU  MDY          30 VAL  MGX         5.50    (#    946:25  Unique         3.20, 6.75 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   34 LEU  MDX          30 VAL  MGX         3.50    (#    947:25  Unique         3.20, 6.75 A)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:948     43 LEU  MDX         4.50    (#    948:25  Single Ambig)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 418, 419, 607, 608,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:949     43 LEU  MDX         2.80    (#    949:25  Single Ambig)
 &rst
  ixpk= 949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 621, 622, 418, 419,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   12 ASP  HN           11 ILE  QD1         7.00    (#    951:25  Unique         3.74, 5.60 A)
 &rst
  ixpk= 951, nxpk= 25, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 156, 157, 158,
 &end
#
#   11 ILE  HN           11 ILE  QD1         5.50    (#    952:25  Unique         2.24, 4.29 A)
 &rst
  ixpk= 952, nxpk= 25, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 156, 157, 158,
 &end
#
#   11 ILE  HB           11 ILE  QD1         4.50    (#    954:25  Unique         2.23, 3.49 A)
 &rst
  ixpk= 954, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 156, 157, 158,
 &end
#
#   11 ILE  HG1-         11 ILE  QD1         3.50    (#    955:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 153, 154,
 igr2= 156, 157, 158,
 &end
#
#   11 ILE  HG1+         11 ILE  QD1         3.50    (#    956:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 153, 154,
 igr2= 156, 157, 158,
 &end
#
#   34 LEU  MDX          11 ILE  QD1         4.50    (#    957:25  Unique         2.39, 6.02 A)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 156, 157, 158,
 &end
#
#   31 MET  HA           11 ILE  QD1         7.00    (#    958:25  Unique         3.35, 4.78 A)
 &rst
  ixpk= 958, nxpk= 25, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 156, 157, 158,
 &end
#
#   31 MET  HG-          11 ILE  QD1         7.00    (#    959:25  Unique         3.53, 5.71 A)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 452, 453,
 igr2= 156, 157, 158,
 &end
#
#   47 TYR  HD           51 ILE  QD1         5.50    (#    961:25  Unique         4.21, 5.40 A)
 &rst
  ixpk= 961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 680, 689,
 igr2= 761, 762, 763,
 &end
#
#    0 AMB  25-2:962     50 ILE  QG2         5.50    (#    962:25  Single Ambig)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 253, 254, 256, 257,
 igr2= 735, 736, 737,
 &end
#
#   50 ILE  HB           15 ALA  MB          5.50    (#    963:25  Unique         2.92, 4.21 A)
 &rst
  ixpk= 963, nxpk= 25, iat= 733,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 205, 206, 207,
 &end
#
#    0 AMB  25-2:964     15 ALA  MB          4.50    (#    964:25  Single Ambig)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 217, 218, 219, 221, 222, 223, 270, 271, 272, 274,
       275, 276,
 igr2= 205, 206, 207,
 &end
#
#   51 ILE  HG1+         15 ALA  MB          4.50    (#    965:25  Unique         2.08, 3.07 A)
 &rst
  ixpk= 965, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 758, 759,
 igr2= 205, 206, 207,
 &end
#
#    0 AMB  25-2:966     15 ALA  MB          3.50    (#    966:25  Single Ambig)
 &rst
  ixpk= 966, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 735, 736, 737, 754, 755, 756,
 igr2= 205, 206, 207,
 &end
#
#   51 ILE  QD1          15 ALA  MB          4.50    (#    967:25  Unique         2.00, 3.22 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 761, 762, 763,
 igr2= 205, 206, 207,
 &end
#
#    0 AMB  25-2:968     15 ALA  MB          7.00    (#    968:25  Single Ambig)
 &rst
  ixpk= 968, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 253, 254, 256, 257,
 igr2= 205, 206, 207,
 &end
#
#   11 ILE  HA           15 ALA  MB          5.50    (#    969:25  Unique         5.94, 6.79 A)
 &rst
  ixpk= 969, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 205, 206, 207,
 &end
#
#   13 ASP  HA           15 ALA  MB          7.00    (#    970:25  Unique         5.56, 6.38 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 205, 206, 207,
 &end
#
#   51 ILE  HN           15 ALA  MB          7.00    (#    972:25  Unique         3.66, 4.78 A)
 &rst
  ixpk= 972, nxpk= 25, iat= 748,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 205, 206, 207,
 &end
#
#   17 LYS  HN           15 ALA  MB          7.00    (#    973:25  Unique         4.78, 5.29 A)
 &rst
  ixpk= 973, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 205, 206, 207,
 &end
#
#   43 LEU  HG           43 LEU  MDX         3.50    (#    974:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 974, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   17 LYS  HN           17 LYS  HG-         5.50    (#    975:25  Unique         2.45, 3.40 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 234, 235,
 &end
#
#   17 LYS  HE-          17 LYS  HG-         5.50    (#    976:25  Unique         2.19, 3.10 A)
 &rst
  ixpk= 976, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 240, 241,
 igr2= 234, 235,
 &end
#
#   17 LYS  HE-          17 LYS  HG+         5.50    (#    977:25  Unique         2.19, 3.10 A)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 240, 241,
 igr2= 234, 235,
 &end
#
#    0 AMB  25-2:978      0 AMB  25-1:978    4.50    (#    978:25  Double Ambig)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 231, 232, 231, 232,
 igr2= 234, 235, 234, 235,
 &end
#
#    0 AMB  25-2:979     17 LYS  HG-         4.50    (#    979:25  Single Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 231, 232, 231, 232,
 igr2= 234, 235,
 &end
#
#   34 LEU  HB-          34 LEU  HG          4.50    (#    980:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 491, 492,
 &end
#
#   30 VAL  MGX          34 LEU  HG          4.50    (#    981:25  Unique         3.82, 6.06 A)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   34 LEU  MDY          34 LEU  HG          3.50    (#    982:25  Unique         2.29, 2.63 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#   18 GLU  HB-          19 VAL  MGY         5.50    (#    983:25  Unique         3.35, 5.32 A)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 253, 254,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   46 ALA  MB           19 VAL  MGY         3.50    (#    984:25  Unique         2.00, 4.88 A)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 666, 667, 668,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   43 LEU  MDY          19 VAL  MGY         5.50    (#    985:25  Unique         4.50, 7.08 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   23 PHE  HE           19 VAL  MGY         5.50    (#    986:25  Unique         4.49, 9.76 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 342,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   44 ALA  HN           43 LEU  HG          7.00    (#    987:25  Unique         4.23, 4.45 A)
 &rst
  ixpk= 987, nxpk= 25, iat= 636, 624, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   11 ILE  QD1          11 ILE  HG1-        3.50    (#    988:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 156, 157, 158,
 igr2= 153, 154,
 &end
#
#   11 ILE  QD1          11 ILE  HG1+        3.50    (#    989:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 156, 157, 158,
 igr2= 153, 154,
 &end
#
#   11 ILE  HB           11 ILE  HG1-        3.50    (#    990:25  Unique         2.43, 2.62 A)
 &rst
  ixpk= 990, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 153, 154,
 &end
#
#   11 ILE  HB           11 ILE  HG1+        3.50    (#    991:25  Unique         2.43, 2.62 A)
 &rst
  ixpk= 991, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 153, 154,
 &end
#
#   51 ILE  HB           51 ILE  HG1+        4.50    (#    992:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 992, nxpk= 25, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 758, 759,
 &end
#
#   51 ILE  QD1          51 ILE  HG1+        3.50    (#    993:25  Unique         2.21, 2.62 A)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 761, 762, 763,
 igr2= 758, 759,
 &end
#
#   23 PHE  HD           25 CYS  HA          5.50    (#    995:25  Unique         4.18, 6.82 A)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1, 365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 336, 344,
 &end
#
#   29 GLU  HB+          25 CYS  HA          5.50    (#    996:25  Unique         4.55, 5.04 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1, 365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 418, 419,
 &end
#
#   14 GLU  HA           12 ASP  HB-         5.50    (#   1001:25  Unique         5.68, 6.61 A)
 &rst
  ixpk= 1001, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 166, 167,
 &end
#
#   15 ALA  MB           12 ASP  HB-         4.50    (#   1002:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 205, 206, 207,
 igr2= 166, 167,
 &end
#
#   51 ILE  QG2          12 ASP  HB-         5.50    (#   1003:25  Unique         4.71, 5.85 A)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 754, 755, 756,
 igr2= 166, 167,
 &end
#
#   51 ILE  QD1          12 ASP  HB-         4.50    (#   1004:25  Unique         2.52, 3.51 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 761, 762, 763,
 igr2= 166, 167,
 &end
#
#   13 ASP  HN           12 ASP  HB-         7.00    (#   1005:25  Unique         4.22, 4.42 A)
 &rst
  ixpk= 1005, nxpk= 25, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 166, 167,
 &end
#
#   14 GLU  HA           12 ASP  HB+         5.50    (#   1006:25  Unique         5.68, 6.61 A)
 &rst
  ixpk= 1006, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 166, 167,
 &end
#
#   11 ILE  QG2          12 ASP  HB+         7.00    (#   1007:25  Unique         4.19, 5.74 A)
 &rst
  ixpk= 1007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 149, 150, 151,
 igr2= 166, 167,
 &end
#
#   11 ILE  QG2          12 ASP  HB-         7.00    (#   1008:25  Unique         4.19, 5.74 A)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 149, 150, 151,
 igr2= 166, 167,
 &end
#
#   13 ASP  HN            0 AMB  25-1:1009   7.00    (#   1009:25  Single Ambig)
 &rst
  ixpk= 1009, nxpk= 25, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 166, 167, 240, 241,
 &end
#
#   43 LEU  HB-           0 AMB  25-1:1010   7.00    (#   1010:25  Single Ambig)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 621, 622,
 igr2= 592, 593, 592, 593,
 &end
#
#   35 TYR  HN           34 LEU  HB-         5.50    (#   1012:25  Unique         2.68, 3.33 A)
 &rst
  ixpk= 1012, nxpk= 25, iat= 506,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 491, 492,
 &end
#
#   16 VAL  MGX          27 GLU  HG+         3.50    (#   1014:25  Unique         2.00, 5.19 A)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 217, 218, 219, 221, 222, 223,
 igr2= 395, 396,
 &end
#
#   45 VAL  MGY          40 GLN  HG+         7.00    (#   1015:25  Unique         4.04, 6.71 A)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 652, 653, 654, 656, 657, 658,
 igr2= 578, 579,
 &end
#
#   45 VAL  MGY          40 GLN  HG-         7.00    (#   1016:25  Unique         4.04, 6.71 A)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 652, 653, 654, 656, 657, 658,
 igr2= 578, 579,
 &end
#
#   28 SER  HA           31 MET  HG+         7.00    (#   1017:25  Unique         2.07, 2.48 A)
 &rst
  ixpk= 1017, nxpk= 25, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 452, 453,
 &end
#
#   29 GLU  HB+          25 CYS  HB+         4.50    (#   1020:25  Unique         2.18, 3.54 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 418, 419,
 igr2= 367, 368,
 &end
#
#   25 CYS  HN           25 CYS  HB+         5.50    (#   1021:25  Unique         2.28, 3.09 A)
 &rst
  ixpk= 1021, nxpk= 25, iat= 363,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 367, 368,
 &end
#
#   23 PHE  HA           25 CYS  HB-         5.50    (#   1023:25  Unique         4.84, 6.04 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 367, 368,
 &end
#
#   23 PHE  HB+          25 CYS  HB-         5.50    (#   1024:25  Unique         2.23, 4.15 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 332, 333,
 igr2= 367, 368,
 &end
#
#   29 GLU  HB-          25 CYS  HB-         5.50    (#   1025:25  Unique         2.18, 3.54 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 418, 419,
 igr2= 367, 368,
 &end
#
#   30 VAL  MGY          25 CYS  HB-         7.00    (#   1026:25  Unique         3.14, 6.20 A)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 367, 368,
 &end
#
#    0 AMB  25-2:1027    25 CYS  HB-         5.50    (#   1027:25  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 igr2= 367, 368,
 &end
#
#   43 LEU  MDY          25 CYS  HB-         5.50    (#   1028:25  Unique         2.36, 4.42 A)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 367, 368,
 &end
#
#   43 LEU  MDY          42 GLN  HG+         5.50    (#   1029:25  Unique         2.88, 4.86 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 607, 608,
 &end
#
#   43 LEU  HN           42 GLN  HG+         5.50    (#   1030:25  Unique         1.95, 2.84 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 607, 608,
 &end
#
#   43 LEU  HN           42 GLN  HG-         7.00    (#   1031:25  Unique         1.95, 2.84 A)
 &rst
  ixpk= 1031, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 607, 608,
 &end
#
#   23 PHE  HE           22 LYS  HB+         7.00    (#   1034:25  Unique         3.82, 7.76 A)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 338, 342,
 igr2= 310, 311,
 &end
#
#   23 PHE  HE           22 LYS  HB-         7.00    (#   1035:25  Unique         3.82, 7.76 A)
 &rst
  ixpk= 1035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 338, 342,
 igr2= 310, 311,
 &end
#
#    0 AMB  25-2:1037     0 AMB  25-1:1037   5.50    (#   1037:25  Double Ambig)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 742, 743, 744, 758, 759,
 igr2= 256, 257, 298, 299,
 &end
#
#   32 ASN  HA           35 TYR  HB+         5.50    (#   1040:25  Unique         3.91, 4.30 A)
 &rst
  ixpk= 1040, nxpk= 25, iat= 464,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 510, 511,
 &end
#
#    0 AMB  25-2:1041    40 GLN  HG-         2.80    (#   1041:25  Single Ambig)
 &rst
  ixpk= 1041, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 575, 576, 561, 562,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:1042     0 AMB  25-1:1042   2.80    (#   1042:25  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 575, 576, 561, 562,
 igr2= 578, 579, 578, 579,
 &end
#
#   50 ILE  QD1          50 ILE  HG1+        2.80    (#   1044:25  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 742, 743, 744,
 igr2= 739, 740,
 &end
#
#   50 ILE  QG2          50 ILE  HG1+        3.50    (#   1045:25  Unique         2.10, 3.34 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 735, 736, 737,
 igr2= 739, 740,
 &end
#
#   23 PHE  HE           43 LEU  MDY         7.00    (#   1046:25  Unique         2.83, 5.80 A)
 &rst
  ixpk= 1046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 338, 342,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   41 ASP  HN           34 LEU  MDY         7.00    (#   1047:25  Unique         5.51, 7.92 A)
 &rst
  ixpk= 1047, nxpk= 25, iat= 588,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   23 PHE  HB-          43 LEU  MDY         4.50    (#   1048:25  Unique         2.07, 4.22 A)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 332, 333,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   42 GLN  HG-          43 LEU  MDY         5.50    (#   1049:25  Unique         2.88, 4.86 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 607, 608,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   43 LEU  HB+          34 LEU  MDY         7.00    (#   1052:25  Unique         4.90, 6.91 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 621, 622,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   47 TYR  HB-          46 ALA  MB          5.50    (#   1053:25  Unique         4.73, 5.81 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 676, 677,
 igr2= 666, 667, 668,
 &end
#
#   56 ILE  HB           56 ILE  QG2         2.80    (#   1054:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1054, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 847, 848, 849,
 &end
#
#   56 ILE  HG1-         56 ILE  QG2         4.50    (#   1055:25  Unique         2.30, 3.47 A)
 &rst
  ixpk= 1055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 851, 852,
 igr2= 847, 848, 849,
 &end
#
#   56 ILE  HG1+         56 ILE  QG2         4.50    (#   1056:25  Unique         2.30, 3.47 A)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 851, 852,
 igr2= 847, 848, 849,
 &end
#
#    0 AMB  25-2:1057    51 ILE  QG2         2.80    (#   1057:25  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 752, 803, 804,
 igr2= 754, 755, 756,
 &end
#
#   51 ILE  QD1          51 ILE  QG2         2.80    (#   1058:25  Unique         2.06, 3.56 A)
 &rst
  ixpk= 1058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 761, 762, 763,
 igr2= 754, 755, 756,
 &end
#
#   15 ALA  MB           51 ILE  QG2         4.50    (#   1059:25  Unique         3.79, 5.63 A)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 205, 206, 207,
 igr2= 754, 755, 756,
 &end
#
#   11 ILE  HB           11 ILE  QG2         2.80    (#   1060:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1060, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 149, 150, 151,
 &end
#
#   11 ILE  HG1-         11 ILE  QG2         4.50    (#   1061:25  Unique         2.31, 3.48 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 153, 154,
 igr2= 149, 150, 151,
 &end
#
#   11 ILE  HG1+         11 ILE  QG2         4.50    (#   1062:25  Unique         2.31, 3.48 A)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 153, 154,
 igr2= 149, 150, 151,
 &end
#
#   16 VAL  MGY          11 ILE  QG2         2.80    (#   1063:25  Unique         2.01, 3.92 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 217, 218, 219, 221, 222, 223,
 igr2= 149, 150, 151,
 &end
#
#   19 VAL  HN           50 ILE  QD1         5.50    (#   1064:25  Unique         2.86, 3.33 A)
 &rst
  ixpk= 1064, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 742, 743, 744,
 &end
#
#   50 ILE  HN           50 ILE  QD1         5.50    (#   1065:25  Unique         3.63, 4.08 A)
 &rst
  ixpk= 1065, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 742, 743, 744,
 &end
#
#   15 ALA  HA           50 ILE  QD1         7.00    (#   1066:25  Unique         3.44, 4.57 A)
 &rst
  ixpk= 1066, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 742, 743, 744,
 &end
#
#   47 TYR  HA           50 ILE  QD1         4.50    (#   1067:25  Unique         3.50, 4.14 A)
 &rst
  ixpk= 1067, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 742, 743, 744,
 &end
#
#   19 VAL  HA           50 ILE  QD1         4.50    (#   1068:25  Unique         2.74, 3.21 A)
 &rst
  ixpk= 1068, nxpk= 25, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 742, 743, 744,
 &end
#
#    0 AMB  25-2:1069    50 ILE  QD1         5.50    (#   1069:25  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 256, 257, 298, 299,
 igr2= 742, 743, 744,
 &end
#
#   18 GLU  HB-          50 ILE  QD1         3.50    (#   1070:25  Unique         2.00, 2.87 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 253, 254,
 igr2= 742, 743, 744,
 &end
#
#   50 ILE  HB           50 ILE  QD1         2.80    (#   1071:25  Unique         2.10, 2.92 A)
 &rst
  ixpk= 1071, nxpk= 25, iat= 733,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 742, 743, 744,
 &end
#
#   50 ILE  HG1-         50 ILE  QD1         2.80    (#   1072:25  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 739, 740,
 igr2= 742, 743, 744,
 &end
#
#   46 ALA  MB           50 ILE  QD1         4.50    (#   1073:25  Unique         2.41, 4.51 A)
 &rst
  ixpk= 1073, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 666, 667, 668,
 igr2= 742, 743, 744,
 &end
#
#   15 ALA  MB           50 ILE  QD1         5.50    (#   1074:25  Unique         3.61, 5.58 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 205, 206, 207,
 igr2= 742, 743, 744,
 &end
#
#   19 VAL  MGY          50 ILE  QD1         2.80    (#   1075:25  Unique         2.00, 4.10 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 742, 743, 744,
 &end
#
#    0 AMB  25-2:1076    50 ILE  QD1         2.80    (#   1076:25  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 270, 271, 272, 274, 275, 276, 739, 740,
 igr2= 742, 743, 744,
 &end
#
#   56 ILE  HB           56 ILE  QD1         4.50    (#   1077:25  Unique         2.33, 3.49 A)
 &rst
  ixpk= 1077, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 854, 855, 856,
 &end
#
#   56 ILE  HG1-         56 ILE  QD1         3.50    (#   1078:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 851, 852,
 igr2= 854, 855, 856,
 &end
#
#   56 ILE  HG1+         56 ILE  QD1         3.50    (#   1079:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 851, 852,
 igr2= 854, 855, 856,
 &end
#
#   56 ILE  HA           56 ILE  QD1         5.50    (#   1080:25  Unique         2.01, 3.76 A)
 &rst
  ixpk= 1080, nxpk= 25, iat= 843,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 854, 855, 856,
 &end
#
#   53 ASN  HA           56 ILE  QD1         7.00    (#   1081:25  Unique         2.02, 4.00 A)
 &rst
  ixpk= 1081, nxpk= 25, iat= 781,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 854, 855, 856,
 &end
#
#   22 LYS  HB+          22 LYS  HG+         5.50    (#   1083:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   22 LYS  HB-          22 LYS  HG+         4.50    (#   1084:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 1084, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   22 LYS  HD-          22 LYS  HG+         2.80    (#   1085:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 1085, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 316, 317,
 igr2= 313, 314,
 &end
#
#   43 LEU  MDY          30 VAL  MGY         3.50    (#   1087:25  Unique         2.00, 5.13 A)
 &rst
  ixpk= 1087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:1089     0 AMB  25-1:1089   4.50    (#   1089:25  Double Ambig)
 &rst
  ixpk= 1089, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 234, 235, 666, 667, 668,
 igr2= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
       440, 441,
 &end
#
#   11 ILE  HB           16 VAL  MGY         4.50    (#   1090:25  Unique         4.02, 5.68 A)
 &rst
  ixpk= 1090, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#    0 AMB  25-2:1091    30 VAL  MGY         4.50    (#   1091:25  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 621, 622, 418, 419,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   30 VAL  HB            0 AMB  25-1:1092   2.80    (#   1092:25  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 25, iat= 433,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr2= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
       222, 223,
 &end
#
#    0 AMB  25-2:1094    43 LEU  MDX         2.80    (#   1094:25  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 435, 436, 437, 439, 440, 441, 621, 622,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   51 ILE  HB           51 ILE  HG1-        4.50    (#   1098:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 1098, nxpk= 25, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 758, 759,
 &end
#
#   51 ILE  QG2          51 ILE  HG1-        3.50    (#   1100:25  Unique         2.42, 3.52 A)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 754, 755, 756,
 igr2= 758, 759,
 &end
#
#   51 ILE  QD1          51 ILE  HG1-        3.50    (#   1101:25  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 761, 762, 763,
 igr2= 758, 759,
 &end
#
#   56 ILE  HB           56 ILE  HG1-        3.50    (#   1102:25  Unique         2.43, 2.62 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 851, 852,
 &end
#
#    0 AMB  25-2:1103    50 ILE  HG1-        5.50    (#   1103:25  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 650, 231, 232, 231, 232, 797, 798,
 igr2= 739, 740,
 &end
#
#   43 LEU  HB+          43 LEU  HG          4.50    (#   1107:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#   31 MET  HG-          31 MET  HB+         4.50    (#   1108:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 452, 453,
 igr2= 449, 450,
 &end
#
#    0 AMB  25-2:1109    22 LYS  HD-         5.50    (#   1109:25  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 298, 299, 253, 254,
 igr2= 316, 317,
 &end
#
#   51 ILE  QG2          51 ILE  HG1+        3.50    (#   1110:25  Unique         2.42, 3.52 A)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 754, 755, 756,
 igr2= 758, 759,
 &end
#
#   34 LEU  MDX          34 LEU  HG          3.50    (#   1116:25  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1116, nxpk= 25, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 496, 497, 498, 500, 501, 502,
 &end
#
#   34 LEU  HB+          34 LEU  HG          3.50    (#   1117:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1, 494, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 491, 492,
 &end
#
#   34 LEU  HN           34 LEU  MDX         5.50    (#   1120:25  Unique         2.90, 4.10 A)
 &rst
  ixpk= 1120, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   47 TYR  HD           34 LEU  MDX         5.50    (#   1122:25  Unique         4.04, 5.65 A)
 &rst
  ixpk= 1122, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 680, 689,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:1123    34 LEU  MDX         4.50    (#   1123:25  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 447, 638, 489,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   43 LEU  HB+          34 LEU  MDX         5.50    (#   1124:25  Unique         4.90, 6.91 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 621, 622,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   34 LEU  HB+          34 LEU  MDX         3.50    (#   1125:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 491, 492,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:1126    34 LEU  MDX         3.50    (#   1126:25  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 640, 641, 642, 494,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   11 ILE  HG1+         34 LEU  MDX         5.50    (#   1127:25  Unique         2.94, 6.62 A)
 &rst
  ixpk= 1127, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 153, 154,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   30 VAL  MGY          34 LEU  MDX         5.50    (#   1128:25  Unique         3.20, 6.75 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   34 LEU  HB-          34 LEU  MDX         4.50    (#   1129:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 491, 492,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:1130    34 LEU  MDX         2.80    (#   1130:25  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 435, 436, 437, 439, 440, 441, 149, 150, 151,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   11 ILE  QD1          34 LEU  MDX         4.50    (#   1131:25  Unique         2.39, 6.02 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 156, 157, 158,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   30 VAL  MGX          19 VAL  MGY         4.50    (#   1134:25  Unique         2.00, 4.28 A)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 270, 271, 272, 274, 275, 276,
 &end
#
#   22 LYS  HN           22 LYS  HG+         5.50    (#   1135:25  Unique         2.63, 4.13 A)
 &rst
  ixpk= 1135, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 313, 314,
 &end
#
#   53 ASN  HB-          22 LYS  HG+         5.50    (#   1136:25  Unique         7.70, 9.37 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 783, 784,
 igr2= 313, 314,
 &end
#
#   34 LEU  HG           30 VAL  MGX         4.50    (#   1137:25  Unique         3.82, 6.06 A)
 &rst
  ixpk= 1137, nxpk= 25, iat= 494,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   19 VAL  MGY          30 VAL  MGX         4.50    (#   1139:25  Unique         2.00, 4.28 A)
 &rst
  ixpk= 1139, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:1140    16 VAL  MGX         2.80    (#   1140:25  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 213, 390,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#    0 AMB  25-2:1141    16 VAL  MGX         4.50    (#   1141:25  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 452, 453, 178, 179, 178, 179,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#   16 VAL  HB           16 VAL  MGX         2.80    (#   1142:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1142, nxpk= 25, iat= 215,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#   30 VAL  HB           16 VAL  MGX         4.50    (#   1143:25  Unique         2.68, 4.71 A)
 &rst
  ixpk= 1143, nxpk= 25, iat= 433,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#   30 VAL  MGX          16 VAL  MGX         2.80    (#   1145:25  Unique         2.87, 5.91 A)
 &rst
  ixpk= 1145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#    0 AMB  25-2:1147    56 ILE  QG2         7.00    (#   1147:25  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 860, 891,
 igr2= 847, 848, 849,
 &end
#
#   55 ARG  HN           56 ILE  QG2         7.00    (#   1148:25  Unique         6.49, 6.60 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 847, 848, 849,
 &end
#
#   38 ASP  HA           39 PRO  HG+         7.00    (#   1149:25  Unique         4.54, 4.58 A)
 &rst
  ixpk= 1149, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 561, 562,
 &end
#
#   38 ASP  HA           39 PRO  HG-         7.00    (#   1150:25  Unique         4.54, 4.58 A)
 &rst
  ixpk= 1150, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 561, 562,
 &end
#
#   40 GLN  HN           39 PRO  HG+         7.00    (#   1151:25  Unique         3.04, 3.71 A)
 &rst
  ixpk= 1151, nxpk= 25, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 561, 562,
 &end
#
#   40 GLN  HN           39 PRO  HG-         5.50    (#   1152:25  Unique         3.04, 3.71 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 561, 562,
 &end
#
#   25 CYS  HN            0 AMB  25-1:1153   7.00    (#   1153:25  Single Ambig)
 &rst
  ixpk= 1153, nxpk= 25, iat= 363,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 352, 353, 352, 353,
 &end
#
#   30 VAL  MGY          29 GLU  HB+         5.50    (#   1155:25  Unique         3.28, 5.91 A)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 435, 436, 437, 439, 440, 441,
 igr2= 418, 419,
 &end
#
#    0 AMB  25-2:1156     0 AMB  25-1:1156   4.50    (#   1156:25  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 626, 627, 628, 630, 631, 632, 435, 436, 437, 439,
       440, 441,
 igr2= 418, 419, 418, 419,
 &end
#
#   22 LYS  HA           22 LYS  HD-         5.50    (#   1157:25  Unique         2.00, 3.31 A)
 &rst
  ixpk= 1157, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 316, 317,
 &end
#
#   51 ILE  HA           54 ARG  HD+         5.50    (#   1158:25  Unique         2.06, 3.42 A)
 &rst
  ixpk= 1158, nxpk= 25, iat= 750,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 803, 804,
 &end
#
#    0 AMB  25-2:1159     0 AMB  25-1:1159   5.50    (#   1159:25  Double Ambig)
 &rst
  ixpk= 1159, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 754, 755, 756, 735, 736, 737,
 igr2= 803, 804, 803, 804,
 &end
#
#   25 CYS  HB+          26 THR  MG2         5.50    (#   1160:25  Unique         4.03, 5.92 A)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 367, 368,
 igr2= 380, 381, 382,
 &end
#
#    0 AMB  25-2:1161    26 THR  MG2         5.50    (#   1161:25  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 421, 422, 421, 422,
 igr2= 380, 381, 382,
 &end
#
#   28 SER  HN           26 THR  MG2         5.50    (#   1162:25  Unique         4.83, 5.19 A)
 &rst
  ixpk= 1162, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 380, 381, 382,
 &end
#
#   45 VAL  HN           49 LEU  MDY         5.50    (#   1163:25  Unique         6.53, 8.29 A)
 &rst
  ixpk= 1163, nxpk= 25, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 719, 720, 721, 723, 724, 725,
 &end
#
#   42 GLN  HA           49 LEU  MDY         5.50    (#   1165:25  Unique         7.35, 8.92 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 719, 720, 721, 723, 724, 725,
 &end
#
#    0 AMB  25-2:1166    49 LEU  MDY         4.50    (#   1166:25  Single Ambig)
 &rst
  ixpk= 1166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 650, 845,
 igr2= 719, 720, 721, 723, 724, 725,
 &end
#
#    0 AMB  25-2:1167     0 AMB  25-1:1167   3.50    (#   1167:25  Double Ambig)
 &rst
  ixpk= 1167, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 712, 129, 819,
 igr2= 719, 720, 721, 723, 724, 725, 133, 134, 135, 137,
       138, 139, 824, 825, 824, 825,
 &end
#
#    0 AMB  25-2:1168     0 AMB  25-1:1168   4.50    (#   1168:25  Double Ambig)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 817, 127,
 igr2= 824, 825, 824, 825, 133, 134, 135, 137, 138, 139,
      
 &end
#
#   11 ILE  HN           10 VAL  MGY         5.50    (#   1169:25  Unique         1.98, 4.15 A)
 &rst
  ixpk= 1169, nxpk= 25, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 133, 134, 135, 137, 138, 139,
 &end
#
#    0 AMB  25-2:1170     0 AMB  25-1:1170   2.80    (#   1170:25  Double Ambig)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1= 821, 822, 821, 822, 821, 822, 131,
 igr2= 824, 825, 824, 825, 824, 825, 133, 134, 135, 137,
       138, 139,
 &end
#
#   19 VAL  MGY          34 LEU  MDY         5.50    (#   1171:25  Unique         6.04, 8.64 A)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 270, 271, 272, 274, 275, 276,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#    0 AMB  25-2:1172    43 LEU  MDY         7.00    (#   1172:25  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.34, r4=13.09,
 igr1= 313, 314, 380, 381, 382,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   43 LEU  HN           46 ALA  MB          5.50    (#   1173:25  Unique         5.32, 6.07 A)
 &rst
  ixpk= 1173, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 666, 667, 668,
 &end
#
#    0 AMB  25-2:1174    46 ALA  MB          7.00    (#   1174:25  Single Ambig)
 &rst
  ixpk= 1174, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 264, 693,
 igr2= 666, 667, 668,
 &end
#
#   34 LEU  MDY          44 ALA  MB          3.50    (#   1176:25  Unique         2.10, 5.13 A)
 &rst
  ixpk= 1176, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 640, 641, 642,
 &end
#
#    0 AMB  25-2:1177    44 ALA  MB          3.50    (#   1177:25  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 592, 593, 592, 593,
 igr2= 640, 641, 642,
 &end
#
#   41 ASP  HN           44 ALA  MB          5.50    (#   1178:25  Unique         1.96, 3.03 A)
 &rst
  ixpk= 1178, nxpk= 25, iat= 588,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 640, 641, 642,
 &end
#
#   44 ALA  HN           44 ALA  MB          3.50    (#   1179:25  Unique         2.29, 2.89 A)
 &rst
  ixpk= 1179, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 640, 641, 642,
 &end
#
#   45 VAL  HN           44 ALA  MB          4.50    (#   1180:25  Unique         3.18, 3.82 A)
 &rst
  ixpk= 1180, nxpk= 25, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 640, 641, 642,
 &end
#
#    0 AMB  25-2:1181    44 ALA  MB          2.80    (#   1181:25  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 638, 489,
 igr2= 640, 641, 642,
 &end
#
#   25 CYS  HB-          43 LEU  MDX         7.00    (#   1183:25  Unique         2.36, 4.42 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 367, 368,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:1184     0 AMB  25-1:1184   7.00    (#   1184:25  Double Ambig)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 298, 299, 253, 254,
 igr2= 313, 314, 313, 314,
 &end
#
#    2 PRO  HA            2 PRO  HB-         5.50    (#   1185:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1185, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  18,  19,
 &end
#
#   27 GLU  HG+          27 GLU  HA          4.50    (#   1188:25  Unique         2.36, 2.86 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 395, 396,
 &end
#
#   31 MET  HG-          28 SER  HA          5.50    (#   1189:25  Unique         2.07, 2.48 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 452, 453,
 &end
#
#   31 MET  HG+          28 SER  HA          7.00    (#   1190:25  Unique         2.07, 2.48 A)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 452, 453,
 &end
#
#    0 AMB  25-2:1191    28 SER  HA          5.50    (#   1191:25  Single Ambig)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 421, 422, 421, 422, 395, 396,
 &end
#
#   31 MET  HG+          27 GLU  HA          7.00    (#   1193:25  Unique         4.67, 5.51 A)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 452, 453,
 &end
#
#   47 TYR  HD           48 HIS  HA          4.50    (#   1194:25  Unique         3.66, 4.82 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1, 695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 680, 689,
 &end
#
#   16 VAL  MGY           0 AMB  25-1:1197   5.50    (#   1197:25  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 217, 218, 219, 221, 222, 223,
 igr2= 145, 188,
 &end
#
#    0 AMB  25-2:1198    11 ILE  HA          5.50    (#   1198:25  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 133, 134, 135, 137, 138, 139, 217, 218, 219, 221,
       222, 223,
 &end
#
#   44 ALA  HN           42 GLN  HA          7.00    (#   1200:25  Unique         4.65, 4.75 A)
 &rst
  ixpk= 1200, nxpk= 25, iat= 636, 602, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   44 ALA  MB           33 SER  HB-         5.50    (#   1201:25  Unique         2.54, 4.50 A)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 640, 641, 642,
 igr2= 480, 481,
 &end
#
#   53 ASN  HN           50 ILE  HA          5.50    (#   1202:25  Unique         3.53, 3.58 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 779, 731, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 ILE  HN           50 ILE  HA          4.50    (#   1203:25  Unique         2.91, 2.91 A)
 &rst
  ixpk= 1203, nxpk= 25, iat= 729, 731, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1204    50 ILE  HA          7.00    (#   1204:25  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 25, iat=  -1, 731, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 664, 203,
 &end
#
#   53 ASN  HB-          50 ILE  HA          4.50    (#   1205:25  Unique         2.62, 3.33 A)
 &rst
  ixpk= 1205, nxpk= 25, iat=  -1, 731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 783, 784,
 &end
#
#   50 ILE  HB           50 ILE  HA          3.50    (#   1206:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1206, nxpk= 25, iat= 733, 731, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 ILE  HG1-         50 ILE  HA          3.50    (#   1207:25  Unique         2.58, 2.75 A)
 &rst
  ixpk= 1207, nxpk= 25, iat=  -1, 731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 739, 740,
 &end
#
#   50 ILE  HG1+         50 ILE  HA          3.50    (#   1208:25  Unique         2.58, 2.75 A)
 &rst
  ixpk= 1208, nxpk= 25, iat=  -1, 731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 739, 740,
 &end
#
#    0 AMB  25-2:1209    50 ILE  HA          4.50    (#   1209:25  Single Ambig)
 &rst
  ixpk= 1209, nxpk= 25, iat=  -1, 731, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 742, 743, 744, 758, 759,
 &end
#
#   50 ILE  QG2          50 ILE  HA          3.50    (#   1210:25  Unique         2.40, 3.13 A)
 &rst
  ixpk= 1210, nxpk= 25, iat=  -1, 731, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 735, 736, 737,
 &end
#
#   33 SER  HN           30 VAL  HA          5.50    (#   1211:25  Unique         3.48, 3.57 A)
 &rst
  ixpk= 1211, nxpk= 25, iat= 476, 431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 SER  HB+          30 VAL  HA          5.50    (#   1212:25  Unique         2.76, 3.64 A)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1, 431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 480, 481,
 &end
#
#   16 VAL  HB           16 VAL  HA          3.50    (#   1213:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1213, nxpk= 25, iat= 215, 213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1215    16 VAL  HA          5.50    (#   1215:25  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 280, 201,
 &end
#
#   13 ASP  HA           16 VAL  HA          7.00    (#   1218:25  Unique         4.95, 5.12 A)
 &rst
  ixpk= 1218, nxpk= 25, iat= 176, 213, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   36 SER  HN           35 TYR  HB+         5.50    (#   1220:25  Unique         3.64, 3.95 A)
 &rst
  ixpk= 1220, nxpk= 25, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 510, 511,
 &end
#
#   15 ALA  HN           14 GLU  HG-         7.00    (#   1221:25  Unique         4.17, 4.53 A)
 &rst
  ixpk= 1221, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 193, 194,
 &end
#
#    0 AMB  25-2:1222    27 GLU  HG-         5.50    (#   1222:25  Single Ambig)
 &rst
  ixpk= 1222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 403, 264,
 igr2= 395, 396,
 &end
#
#   27 GLU  HN           27 GLU  HG-         5.50    (#   1223:25  Unique         1.97, 2.63 A)
 &rst
  ixpk= 1223, nxpk= 25, iat= 388,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 395, 396,
 &end
#
#   10 VAL  MGY           7 ASP  HB-         5.50    (#   1224:25  Unique         2.16, 4.98 A)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 133, 134, 135, 137, 138, 139,
 igr2=  95,  96,
 &end
#
#   33 SER  HB-          38 ASP  HB+         7.00    (#   1225:25  Unique         7.38, 8.62 A)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 480, 481,
 igr2= 549, 550,
 &end
#
#   36 SER  HA           38 ASP  HB+         7.00    (#   1226:25  Unique         8.93, 9.39 A)
 &rst
  ixpk= 1226, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 549, 550,
 &end
#
#    7 ASP  HN            7 ASP  HB-         5.50    (#   1227:25  Unique         2.23, 3.11 A)
 &rst
  ixpk= 1227, nxpk= 25, iat=  91,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  95,  96,
 &end
#
#    0 AMB  25-2:1228     0 AMB  25-1:1228   7.00    (#   1228:25  Double Ambig)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 571, 103,
 igr2= 549, 550,  95,  96,
 &end
#
#   34 LEU  HN           33 SER  HA          5.50    (#   1229:25  Unique         3.40, 3.40 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 487, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1231    33 SER  HA          7.00    (#   1231:25  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 621, 622, 418, 419,
 &end
#
#   44 ALA  MB           33 SER  HA          5.50    (#   1232:25  Unique         4.85, 6.03 A)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 640, 641, 642,
 &end
#
#   53 ASN  HN           51 ILE  HA          7.00    (#   1235:25  Unique         4.23, 4.38 A)
 &rst
  ixpk= 1235, nxpk= 25, iat= 779, 750, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   29 GLU  HB-           0 AMB  25-1:1240   2.80    (#   1240:25  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 418, 419,
 igr2= 421, 422, 421, 422,
 &end
#
#   19 VAL  MGY          19 VAL  HB          2.80    (#   1242:25  Unique         2.39, 2.63 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1, 268, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#    0 AMB  25-2:1243     0 AMB  25-1:1243   2.80    (#   1243:25  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 435, 436, 437, 439, 440, 441, 217, 218, 219, 221,
       222, 223, 270, 271, 272, 274, 275, 276,
 igr2= 268, 215,
 &end
#
#   16 VAL  MGX          16 VAL  HB          2.80    (#   1244:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1244, nxpk= 25, iat=  -1, 215, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 217, 218, 219, 221, 222, 223,
 &end
#
#   30 VAL  MGX          19 VAL  HB          4.50    (#   1245:25  Unique         2.20, 3.65 A)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1, 268, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#    0 AMB  25-2:1246     0 AMB  25-1:1246   7.00    (#   1246:25  Double Ambig)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=15.28, r4=16.03,
 igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
       222, 223, 435, 436, 437, 439, 440, 441,
 igr2= 284, 285, 284, 285, 284, 285,
 &end
#
#    0 AMB  25-2:1247    20 CYS  HB-         7.00    (#   1247:25  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
 igr1= 270, 271, 272, 274, 275, 276, 217, 218, 219, 221,
       222, 223, 435, 436, 437, 439, 440, 441,
 igr2= 284, 285,
 &end
#
#   25 CYS  HN           20 CYS  HB-         5.50    (#   1248:25  Unique         4.42, 5.37 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 363,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 284, 285,
 &end
#
#   29 GLU  HN           26 THR  MG2         5.50    (#   1250:25  Unique         4.50, 5.09 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 414,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 380, 381, 382,
 &end
#
#   12 ASP  HB-          51 ILE  QG2         7.00    (#   1252:25  Unique         4.71, 5.85 A)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 166, 167,
 igr2= 754, 755, 756,
 &end
#
#   13 ASP  HN           11 ILE  QG2         7.00    (#   1253:25  Unique         3.76, 5.20 A)
 &rst
  ixpk= 1253, nxpk= 25, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  25-2:1254     0 AMB  25-1:1254   7.00    (#   1254:25  Double Ambig)
 &rst
  ixpk= 1254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 403, 264,
 igr2= 395, 396, 395, 396,
 &end
#
#   16 VAL  MGX          27 GLU  HG-         4.50    (#   1255:25  Unique         2.00, 5.19 A)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 217, 218, 219, 221, 222, 223,
 igr2= 395, 396,
 &end
#
#   45 VAL  HA           49 LEU  HB+         7.00    (#   1281:25  Unique         4.22, 5.12 A)
 &rst
  ixpk= 1281, nxpk= 25, iat= 648,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 714, 715,
 &end
#
#   19 VAL  HA           49 LEU  HB-         7.00    (#   1282:25  Unique         6.72, 7.31 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 714, 715,
 &end
#
#   36 SER  HA           38 ASP  HB-         7.00    (#   1285:25  Unique         8.93, 9.39 A)
 &rst
  ixpk= 1285, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 549, 550,
 &end
#
#    0 AMB  25-2:1286    43 LEU  HB-         7.00    (#   1286:25  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1= 217, 218, 219, 221, 222, 223, 742, 743, 744,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-2:1287     0 AMB  25-1:1287   7.00    (#   1287:25  Double Ambig)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
 igr1= 640, 641, 642, 153, 154,
 igr2= 676, 677, 676, 677,
 &end
#
#    0 AMB  25-2:1288    47 TYR  HB-         7.00    (#   1288:25  Single Ambig)
 &rst
  ixpk= 1288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
 igr1= 640, 641, 642, 153, 154,
 igr2= 676, 677,
 &end
#
#   27 GLU  HG-          27 GLU  HA          4.50    (#   1289:25  Unique         2.36, 2.86 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1, 390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 395, 396,
 &end
#
#   14 GLU  HN           12 ASP  HB-         7.00    (#   1290:25  Unique         3.72, 4.53 A)
 &rst
  ixpk= 1290, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 166, 167,
 &end
#
#    0 AMB  25-2:1291     0 AMB  25-1:1291   5.50    (#   1291:25  Double Ambig)
 &rst
  ixpk= 1291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 697, 698, 697, 698,
 igr2= 771, 772, 771, 772,
 &end
#
#   50 ILE  HN           52 ASP  HB+         7.00    (#   1292:25  Unique         5.31, 5.45 A)
 &rst
  ixpk= 1292, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 771, 772,
 &end
#
#   25 CYS  HB-          23 PHE  HB+         5.50    (#   1294:25  Unique         2.23, 4.15 A)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 367, 368,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:1295     0 AMB  25-1:1295   7.00    (#   1295:25  Double Ambig)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
 igr1= 607, 608, 352, 353, 352, 353,
 igr2= 332, 333, 332, 333, 332, 333,
 &end
#
#    0 AMB  25-2:1296     0 AMB  25-1:1296   5.50    (#   1296:25  Double Ambig)
 &rst
  ixpk= 1296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  46,  47, 845,
 igr2=  74,  75, 783, 784,
 &end
#
#    0 AMB  25-2:1297    53 ASN  HB-         5.50    (#   1297:25  Single Ambig)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 719, 720, 721, 723, 724, 725, 719, 720, 721, 723,
       724, 725,
 igr2= 783, 784,
 &end
#
#   50 ILE  QG2          53 ASN  HB-         7.00    (#   1298:25  Unique         3.82, 5.61 A)
 &rst
  ixpk= 1298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 735, 736, 737,
 igr2= 783, 784,
 &end
#
#   43 LEU  MDX          23 PHE  HB+         7.00    (#   1299:25  Unique         2.07, 4.22 A)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 332, 333,
 &end
#
#   24 GLU  HN           23 PHE  HB+         5.50    (#   1300:25  Unique         3.29, 3.81 A)
 &rst
  ixpk= 1300, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 332, 333,
 &end
#
#   25 CYS  HN           23 PHE  HB+         5.50    (#   1302:25  Unique         2.70, 3.57 A)
 &rst
  ixpk= 1302, nxpk= 25, iat= 363,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 332, 333,
 &end
#
#   55 ARG  HN           52 ASP  HA          7.00    (#   1303:25  Unique         3.51, 3.74 A)
 &rst
  ixpk= 1303, nxpk= 25, iat= 817, 769, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  25-2:1305    52 ASP  HA          7.00    (#   1305:25  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1, 769, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 697, 698, 697, 698,
 &end
#
#    0 AMB  25-2:1306    52 ASP  HA          7.00    (#   1306:25  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 25, iat=  -1, 769, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 714, 715, 739, 740, 717,
 &end
#
#   31 MET  HG+          31 MET  HA          7.00    (#   1307:25  Unique         3.57, 3.78 A)
 &rst
  ixpk= 1307, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 452, 453,
 &end
#
#   30 VAL  MGY          31 MET  HA          7.00    (#   1308:25  Unique         3.18, 5.36 A)
 &rst
  ixpk= 1308, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   23 PHE  HN           24 GLU  HA          5.50    (#   1310:25  Unique         4.27, 4.60 A)
 &rst
  ixpk= 1310, nxpk= 25, iat= 328, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 SER  HB-           5 SER  HA          3.50    (#   1311:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1311, nxpk= 25, iat=  -1,  61, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  63,  64,
 &end
#
#    5 SER  HA            5 SER  HB-         3.50    (#   1313:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1313, nxpk= 25, iat=  61,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  63,  64,
 &end
#
#    5 SER  HN            5 SER  HB-         7.00    (#   1315:25  Unique         2.32, 3.14 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=  59,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=  63,  64,
 &end
#
#    6 TYR  HN            6 TYR  HA          7.00    (#   1316:25  Unique         2.27, 2.86 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  70,  72, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    7 ASP  HN            7 ASP  HB+         5.50    (#   1317:25  Unique         2.23, 3.11 A)
 &rst
  ixpk= 1317, nxpk= 25, iat=  91,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  95,  96,
 &end
#
#    0 AMB  25-2:1318     0 AMB  25-1:1318   2.80    (#   1318:25  Double Ambig)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 881, 882, 117, 118,
 igr2= 879, 115,
 &end
#
#   11 ILE  HG1-         11 ILE  HB          3.50    (#   1323:25  Unique         2.43, 2.62 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 153, 154,
 &end
#
#    0 AMB  25-2:1324    11 ILE  HG1-        7.00    (#   1324:25  Single Ambig)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
       440, 441,
 igr2= 153, 154,
 &end
#
#    0 AMB  25-2:1325     0 AMB  25-1:1325   7.00    (#   1325:25  Double Ambig)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
 igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
       440, 441,
 igr2= 153, 154, 153, 154,
 &end
#
#    0 AMB  25-2:1326    11 ILE  QD1         5.50    (#   1326:25  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 217, 218, 219, 221, 222, 223, 435, 436, 437, 439,
       440, 441,
 igr2= 156, 157, 158,
 &end
#
#   18 GLU  HG-          15 ALA  HA          7.00    (#   1328:25  Unique         2.73, 3.33 A)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1, 203, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 256, 257,
 &end
#
#   16 VAL  HN           16 VAL  MGX         5.50    (#   1329:25  Unique         2.15, 3.68 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#   17 LYS  HN           16 VAL  MGX         4.50    (#   1330:25  Unique         4.01, 4.71 A)
 &rst
  ixpk= 1330, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 217, 218, 219, 221, 222, 223,
 &end
#
#   17 LYS  HG-           0 AMB  25-1:1332   3.50    (#   1332:25  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 234, 235,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  25-2:1333     0 AMB  25-1:1333   3.50    (#   1333:25  Double Ambig)
 &rst
  ixpk= 1333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 193, 194, 395, 396, 395, 396,
 igr2= 231, 232, 231, 232, 231, 232,
 &end
#
#   14 GLU  HA           17 LYS  HE-         7.00    (#   1334:25  Unique         2.07, 5.07 A)
 &rst
  ixpk= 1334, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 240, 241,
 &end
#
#   20 CYS  HN           19 VAL  HA          5.50    (#   1335:25  Unique         3.45, 3.46 A)
 &rst
  ixpk= 1335, nxpk= 25, iat= 280, 266, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 VAL  HN           19 VAL  HA          4.50    (#   1336:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 1336, nxpk= 25, iat= 264, 266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 LYS  HN           19 VAL  HA          5.50    (#   1337:25  Unique         3.05, 3.17 A)
 &rst
  ixpk= 1337, nxpk= 25, iat= 306, 266, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 PHE  HD           19 VAL  HA          7.00    (#   1338:25  Unique         3.21, 6.53 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 336, 344,
 &end
#
#   23 PHE  HE           19 VAL  HA          7.00    (#   1339:25  Unique         4.78, 8.43 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 338, 342,
 &end
#
#   19 VAL  HB           19 VAL  HA          4.50    (#   1340:25  Unique         2.48, 2.50 A)
 &rst
  ixpk= 1340, nxpk= 25, iat= 268, 266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1341    19 VAL  HA          7.00    (#   1341:25  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 298, 299, 256, 257,
 &end
#
#   22 LYS  HB+          19 VAL  HA          4.50    (#   1342:25  Unique         1.99, 2.70 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 310, 311,
 &end
#
#   22 LYS  HB-          19 VAL  HA          4.50    (#   1343:25  Unique         1.99, 2.70 A)
 &rst
  ixpk= 1343, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 310, 311,
 &end
#
#   19 VAL  MGY          19 VAL  HA          2.80    (#   1344:25  Unique         2.37, 3.45 A)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   19 VAL  MGX          19 VAL  HA          3.50    (#   1345:25  Unique         2.37, 3.45 A)
 &rst
  ixpk= 1345, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   50 ILE  QD1          19 VAL  HA          5.50    (#   1346:25  Unique         2.74, 3.21 A)
 &rst
  ixpk= 1346, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 742, 743, 744,
 &end
#
#    0 AMB  25-2:1347    19 VAL  HA          7.00    (#   1347:25  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
 igr1= 435, 436, 437, 439, 440, 441, 626, 627, 628, 630,
       631, 632, 735, 736, 737,
 &end
#
#    0 AMB  25-2:1348    19 VAL  HA          7.00    (#   1348:25  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 664, 293,
 &end
#
#   20 CYS  HB+          20 CYS  HA          5.50    (#   1349:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 284, 285,
 &end
#
#   20 CYS  HB-          20 CYS  HA          4.50    (#   1350:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 285,
 &end
#
#    0 AMB  25-2:1351    20 CYS  HA          5.50    (#   1351:25  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 25, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 270, 271, 272, 274, 275, 276, 435, 436, 437, 439,
       440, 441,
 &end
#
#   24 GLU  HG-          22 LYS  HA          5.50    (#   1354:25  Unique         6.46, 7.35 A)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 355, 356,
 &end
#
#   22 LYS  HB+          22 LYS  HG-         5.50    (#   1355:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   22 LYS  HB-          22 LYS  HG-         5.50    (#   1356:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 310, 311,
 igr2= 313, 314,
 &end
#
#   22 LYS  HD-          22 LYS  HG-         4.50    (#   1357:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 316, 317,
 igr2= 313, 314,
 &end
#
#   53 ASN  HB-          22 LYS  HG-         7.00    (#   1361:25  Unique         7.70, 9.37 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 783, 784,
 igr2= 313, 314,
 &end
#
#   23 PHE  HE           22 LYS  HD-         7.00    (#   1362:25  Unique         5.11, 9.46 A)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 338, 342,
 igr2= 316, 317,
 &end
#
#   26 THR  HA           26 THR  HB          2.80    (#   1363:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1363, nxpk= 25, iat= 376, 378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 THR  MG2          26 THR  HB          2.80    (#   1364:25  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1, 378, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 380, 381, 382,
 &end
#
#   28 SER  HN           26 THR  HB          5.50    (#   1365:25  Unique         2.55, 2.78 A)
 &rst
  ixpk= 1365, nxpk= 25, iat= 403, 378, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1366    28 SER  HA          2.80    (#   1366:25  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 407, 408, 407, 408,
 &end
#
#   26 THR  HA            0 AMB  25-1:1367   7.00    (#   1367:25  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 25, iat= 376,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 407, 408, 407, 408,
 &end
#
#    0 AMB  25-2:1368     0 AMB  25-1:1368   5.50    (#   1368:25  Double Ambig)
 &rst
  ixpk= 1368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 392, 393, 392, 393,
 igr2= 407, 408, 407, 408,
 &end
#
#    0 AMB  25-2:1369     0 AMB  25-1:1369   7.00    (#   1369:25  Double Ambig)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 392, 393, 418, 419,
 igr2= 407, 408, 407, 408,
 &end
#
#   26 THR  HN           29 GLU  HB-         7.00    (#   1371:25  Unique         2.31, 3.26 A)
 &rst
  ixpk= 1371, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 418, 419,
 &end
#
#   34 LEU  MDX          30 VAL  MGY         5.50    (#   1372:25  Unique         3.20, 6.75 A)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   31 MET  HG+          30 VAL  MGX         7.00    (#   1373:25  Unique         4.84, 6.44 A)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 452, 453,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   47 TYR  HB+          30 VAL  MGX         7.00    (#   1374:25  Unique         2.88, 5.31 A)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 676, 677,
 igr2= 435, 436, 437, 439, 440, 441,
 &end
#
#   45 VAL  HA           45 VAL  MGX         5.50    (#   1375:25  Unique         2.38, 3.11 A)
 &rst
  ixpk= 1375, nxpk= 25, iat= 648,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#   11 ILE  QD1          31 MET  HA          5.50    (#   1376:25  Unique         3.35, 4.78 A)
 &rst
  ixpk= 1376, nxpk= 25, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 156, 157, 158,
 &end
#
#   56 ILE  QG2          57 MET  HA          5.50    (#   1378:25  Unique         3.73, 4.76 A)
 &rst
  ixpk= 1378, nxpk= 25, iat=  -1, 862, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 847, 848, 849,
 &end
#
#   25 CYS  HN           20 CYS  HA          5.50    (#   1379:25  Unique         2.50, 2.95 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 363, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 CYS  HN           20 CYS  HA          4.50    (#   1380:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 1380, nxpk= 25, iat= 280, 282, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 SER  HB-          33 SER  HA          3.50    (#   1381:25  Unique         2.50, 2.83 A)
 &rst
  ixpk= 1381, nxpk= 25, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 480, 481,
 &end
#
#   33 SER  HB+          33 SER  HA          3.50    (#   1382:25  Unique         2.50, 2.83 A)
 &rst
  ixpk= 1382, nxpk= 25, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 480, 481,
 &end
#
#   44 ALA  HN           33 SER  HB+         5.50    (#   1383:25  Unique         3.07, 3.65 A)
 &rst
  ixpk= 1383, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 480, 481,
 &end
#
#   33 SER  HN           33 SER  HB+         5.50    (#   1384:25  Unique         2.07, 2.77 A)
 &rst
  ixpk= 1384, nxpk= 25, iat= 476,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 480, 481,
 &end
#
#   34 LEU  HN           33 SER  HB+         5.50    (#   1385:25  Unique         3.21, 3.55 A)
 &rst
  ixpk= 1385, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 480, 481,
 &end
#
#   44 ALA  HN           33 SER  HB-         7.00    (#   1386:25  Unique         3.07, 3.65 A)
 &rst
  ixpk= 1386, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 480, 481,
 &end
#
#    0 AMB  25-2:1389     0 AMB  25-1:1389   7.00    (#   1389:25  Double Ambig)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 624, 491, 492,
 igr2= 480, 481, 480, 481,
 &end
#
#    0 AMB  25-2:1391    34 LEU  MDX         7.00    (#   1391:25  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 445, 462,
 igr2= 496, 497, 498, 500, 501, 502,
 &end
#
#   25 CYS  HB-          43 LEU  MDY         7.00    (#   1392:25  Unique         2.36, 4.42 A)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 367, 368,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:1393    43 LEU  MDY         7.00    (#   1393:25  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 328, 374,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   38 ASP  HN            0 AMB  25-1:1395   7.00    (#   1395:25  Single Ambig)
 &rst
  ixpk= 1395, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2= 592, 593, 592, 593,
 &end
#
#   23 PHE  HE            0 AMB  25-1:1396   5.50    (#   1396:25  Single Ambig)
 &rst
  ixpk= 1396, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 338, 342,
 igr2= 604, 605, 604, 605,
 &end
#
#   43 LEU  HG            0 AMB  25-1:1397   5.50    (#   1397:25  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 604, 605, 604, 605,
 &end
#
#   43 LEU  HG           42 GLN  HG+         7.00    (#   1398:25  Unique         2.09, 2.79 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 607, 608,
 &end
#
#   44 ALA  HN           43 LEU  HA          7.00    (#   1399:25  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1399, nxpk= 25, iat= 636, 619, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   45 VAL  MGY          44 ALA  MB          5.50    (#   1400:25  Unique         3.31, 6.30 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 652, 653, 654, 656, 657, 658,
 igr2= 640, 641, 642,
 &end
#
#   34 LEU  MDX          44 ALA  MB          5.50    (#   1401:25  Unique         2.10, 5.13 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 496, 497, 498, 500, 501, 502,
 igr2= 640, 641, 642,
 &end
#
#    0 AMB  25-2:1402    44 ALA  MB          4.50    (#   1402:25  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 621, 622, 650,
 igr2= 640, 641, 642,
 &end
#
#   45 VAL  HN           45 VAL  HA          3.50    (#   1403:25  Unique         2.92, 2.92 A)
 &rst
  ixpk= 1403, nxpk= 25, iat= 646, 648, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HN           45 VAL  HA          5.50    (#   1404:25  Unique         3.56, 3.56 A)
 &rst
  ixpk= 1404, nxpk= 25, iat= 662, 648, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1405    45 VAL  HA          4.50    (#   1405:25  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1, 648, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 697, 698, 697, 698,
 &end
#
#   45 VAL  HB           45 VAL  HA          4.50    (#   1406:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1406, nxpk= 25, iat= 650, 648, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 VAL  MGY          45 VAL  HA          2.80    (#   1407:25  Unique         2.38, 3.11 A)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1, 648, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 652, 653, 654, 656, 657, 658,
 &end
#
#   44 ALA  MB           45 VAL  MGY         4.50    (#   1408:25  Unique         3.31, 6.30 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 640, 641, 642,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#   45 VAL  HB           45 VAL  MGY         2.80    (#   1409:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1409, nxpk= 25, iat= 650,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#    0 AMB  25-2:1410    45 VAL  MGY         5.50    (#   1410:25  Single Ambig)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 575, 576, 578, 579,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#   45 VAL  HA           45 VAL  MGY         2.80    (#   1411:25  Unique         2.38, 3.11 A)
 &rst
  ixpk= 1411, nxpk= 25, iat= 648,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#   40 GLN  HA           45 VAL  MGY         3.50    (#   1412:25  Unique         2.16, 3.98 A)
 &rst
  ixpk= 1412, nxpk= 25, iat= 573,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#   46 ALA  HN           45 VAL  MGY         7.00    (#   1413:25  Unique         3.38, 4.35 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 662,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#   44 ALA  HN           45 VAL  MGY         7.00    (#   1414:25  Unique         4.21, 6.11 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 652, 653, 654, 656, 657, 658,
 &end
#
#    0 AMB  25-2:1415    47 TYR  HA          5.50    (#   1415:25  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 693, 264,
 &end
#
#   47 TYR  HN           47 TYR  HA          4.50    (#   1416:25  Unique         2.75, 2.76 A)
 &rst
  ixpk= 1416, nxpk= 25, iat= 672, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 TYR  HD           47 TYR  HA          4.50    (#   1417:25  Unique         2.55, 3.56 A)
 &rst
  ixpk= 1417, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 680, 689,
 &end
#
#   47 TYR  HB+          47 TYR  HA          4.50    (#   1418:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 676, 677,
 &end
#
#   47 TYR  HB-          47 TYR  HA          3.50    (#   1419:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 676, 677,
 &end
#
#   19 VAL  MGY          47 TYR  HA          2.80    (#   1420:25  Unique         2.00, 3.48 A)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#   19 VAL  MGX          47 TYR  HA          5.50    (#   1421:25  Unique         2.00, 3.48 A)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 270, 271, 272, 274, 275, 276,
 &end
#
#    0 AMB  25-2:1422    47 TYR  HA          4.50    (#   1422:25  Single Ambig)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 742, 743, 744, 758, 759,
 &end
#
#    0 AMB  25-2:1423    47 TYR  HA          4.50    (#   1423:25  Single Ambig)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 733, 714, 715,
 &end
#
#   30 VAL  MGX          47 TYR  HA          7.00    (#   1424:25  Unique         3.76, 5.38 A)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 435, 436, 437, 439, 440, 441,
 &end
#
#   49 LEU  HA           49 LEU  MDX         3.50    (#   1426:25  Unique         2.16, 3.09 A)
 &rst
  ixpk= 1426, nxpk= 25, iat= 712,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 719, 720, 721, 723, 724, 725,
 &end
#
#   49 LEU  HB+          49 LEU  MDX         3.50    (#   1427:25  Unique         2.30, 3.48 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 714, 715,
 igr2= 719, 720, 721, 723, 724, 725,
 &end
#
#    0 AMB  25-2:1428    49 LEU  MDX         2.80    (#   1428:25  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 717, 714, 715,
 igr2= 719, 720, 721, 723, 724, 725,
 &end
#
#   49 LEU  HA           53 ASN  HA          7.00    (#   1430:25  Unique         5.57, 5.77 A)
 &rst
  ixpk= 1430, nxpk= 25, iat= 712, 781, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   10 VAL  HN            9 ASN  HA          4.50    (#   1433:25  Unique         3.46, 3.53 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 127, 115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLN  HA           59 GLN  HG-         7.00    (#   1434:25  Unique         2.19, 3.09 A)
 &rst
  ixpk= 1434, nxpk= 25, iat= 893,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 898, 899,
 &end
#
#   59 GLN  HB+          59 GLN  HG-         3.50    (#   1435:25  Unique         2.27, 2.69 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 895, 896,
 igr2= 898, 899,
 &end
#
#   59 GLN  HB-          59 GLN  HG-         4.50    (#   1436:25  Unique         2.27, 2.69 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 895, 896,
 igr2= 898, 899,
 &end
#
#   61 SER  HB-          61 SER  HA          5.50    (#   1437:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1, 920, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 922, 923,
 &end
#
#   61 SER  HA           61 SER  HB-         5.50    (#   1438:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1438, nxpk= 25, iat= 920,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 922, 923,
 &end
#
#    0 AMB  25-2:1439     0 AMB  25-1:1439   4.50    (#   1439:25  Double Ambig)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 936, 937, 936, 937, 936, 937,
 igr2= 933, 934, 933, 934, 933, 934,
 &end
#
#   24 GLU  HN           46 ALA  MB          7.00    (#   1441:25  Unique         7.29, 7.94 A)
 &rst
  ixpk= 1441, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 666, 667, 668,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  14.148  18.113  -4.388
    2    H2   GLY   1           H2       GLY   1  15.540  18.504  -3.623
    3    H3   GLY   1           H3       GLY   1  15.443  17.113  -4.480
    4    HA2  GLY   1           HA2      GLY   1  15.325  16.658  -2.106
    5    HA3  GLY   1           HA3      GLY   1  13.919  17.733  -2.027
    6    HA   PRO   2           HA       PRO   2  12.638  13.262  -3.000
    7    HB2  PRO   2           HB2      PRO   2  11.733  12.393  -0.591
    8    HB3  PRO   2           HB3      PRO   2  13.471  12.361  -1.024
    9    HG2  PRO   2           HG2      PRO   2  11.993  14.486   0.572
   10    HG3  PRO   2           HG3      PRO   2  13.513  13.636   1.012
   11    HD2  PRO   2           HD2      PRO   2  13.523  16.090  -0.172
   12    HD3  PRO   2           HD3      PRO   2  14.765  14.861  -0.568
   13    H    HIS   3           H        HIS   3  10.417  12.389  -2.968
   14    HA   HIS   3           HA       HIS   3   8.382  14.490  -3.201
   15    HB2  HIS   3           HB2      HIS   3   8.210  11.467  -3.562
   16    HB3  HIS   3           HB3      HIS   3   6.952  12.629  -3.982
   17    HD1  HIS   3           HD1      HIS   3   9.606  10.806  -5.664
   18    HD2  HIS   3           HD2      HIS   3   7.993  14.692  -5.818
   19    HE1  HIS   3           HE1      HIS   3  10.286  11.770  -7.923
   20    H    MET   4           H        MET   4   6.391  14.582  -2.080
   21    HA   MET   4           HA       MET   4   6.550  13.967   0.748
   22    HB2  MET   4           HB2      MET   4   5.591  16.059  -0.100
   23    HB3  MET   4           HB3      MET   4   4.307  15.161  -0.923
   24    HG2  MET   4           HG2      MET   4   3.595  16.200   1.202
   25    HG3  MET   4           HG3      MET   4   3.345  14.469   1.158
   26    HE1  MET   4           HE1      MET   4   3.915  14.938   4.932
   27    HE2  MET   4           HE2      MET   4   2.978  15.934   3.796
   28    HE3  MET   4           HE3      MET   4   2.952  14.161   3.662
   29    H    SER   5           H        SER   5   5.224  12.627   1.995
   30    HA   SER   5           HA       SER   5   4.616  10.068   0.730
   31    HB2  SER   5           HB2      SER   5   4.282   9.416   3.162
   32    HB3  SER   5           HB3      SER   5   5.885  10.030   2.726
   33    HG   SER   5           HG       SER   5   5.084  10.954   4.680
   34    H    TYR   6           H        TYR   6   2.656  12.775   1.567
   35    HA   TYR   6           HA       TYR   6   0.166  11.157   1.278
   36    HB2  TYR   6           HB2      TYR   6   0.694  13.338   3.333
   37    HB3  TYR   6           HB3      TYR   6  -0.889  12.688   2.968
   38    HD1  TYR   6           HD2      TYR   6  -1.391  10.249   3.383
   39    HD2  TYR   6           HD1      TYR   6   2.185  12.161   4.838
   40    HE1  TYR   6           HE2      TYR   6  -1.086   8.403   5.020
   41    HE2  TYR   6           HE1      TYR   6   2.502  10.316   6.484
   42    HH   TYR   6           HH       TYR   6   0.220   7.556   6.695
   43    H    ASP   7           H        ASP   7  -1.665  12.270   0.532
   44    HA   ASP   7           HA       ASP   7  -1.648  14.948  -0.549
   45    HB2  ASP   7           HB2      ASP   7  -0.184  13.789  -2.218
   46    HB3  ASP   7           HB3      ASP   7  -1.460  12.595  -2.480
   47    H    ALA   8           H        ALA   8  -3.766  15.448  -1.578
   48    HA   ALA   8           HA       ALA   8  -6.035  14.320  -0.349
   49    HB1  ALA   8           HB1      ALA   8  -7.280  15.629  -2.047
   50    HB2  ALA   8           HB2      ALA   8  -5.931  16.566  -1.381
   51    HB3  ALA   8           HB3      ALA   8  -5.793  15.832  -2.998
   52    H    ASN   9           H        ASN   9  -4.336  13.166  -3.236
   53    HA   ASN   9           HA       ASN   9  -6.271  11.394  -4.289
   54    HB2  ASN   9           HB2      ASN   9  -4.122  12.014  -5.344
   55    HB3  ASN   9           HB3      ASN   9  -3.237  11.114  -4.104
   56   HD21  ASN   9          HD22      ASN   9  -5.698  10.706  -6.726
   57   HD22  ASN   9          HD21      ASN   9  -5.239   9.049  -7.078
   58    H    VAL  10           H        VAL  10  -4.503  11.114  -1.249
   59    HA   VAL  10           HA       VAL  10  -5.580   8.351  -0.873
   60    HB   VAL  10           HB       VAL  10  -3.765   7.885   0.712
   61   HG11  VAL  10          HG11      VAL  10  -3.654   7.136  -1.625
   62   HG12  VAL  10          HG12      VAL  10  -2.783   8.620  -2.072
   63   HG13  VAL  10          HG13      VAL  10  -2.043   7.457  -0.956
   64   HG21  VAL  10          HG21      VAL  10  -3.118  10.279   1.267
   65   HG22  VAL  10          HG22      VAL  10  -1.757   9.217   0.855
   66   HG23  VAL  10          HG23      VAL  10  -2.358  10.375  -0.340
   67    H    ILE  11           H        ILE  11  -7.083  10.698  -0.434
   68    HA   ILE  11           HA       ILE  11  -7.882  10.131   2.363
   69    HB   ILE  11           HB       ILE  11  -6.746  12.554   1.685
   70   HG12  ILE  11          HG12      ILE  11  -8.883  12.161   3.814
   71   HG13  ILE  11          HG13      ILE  11  -7.209  11.594   3.944
   72   HG21  ILE  11          HG21      ILE  11  -9.743  13.109   1.654
   73   HG22  ILE  11          HG22      ILE  11  -8.416  14.280   1.506
   74   HG23  ILE  11          HG23      ILE  11  -8.701  13.129   0.208
   75   HD11  ILE  11          HD11      ILE  11  -7.364  13.669   5.130
   76   HD12  ILE  11          HD12      ILE  11  -6.427  13.976   3.658
   77   HD13  ILE  11          HD13      ILE  11  -8.136  14.482   3.765
   78    H    ASP  12           H        ASP  12 -10.116  10.182   2.737
   79    HA   ASP  12           HA       ASP  12 -11.815   9.808   0.322
   80    HB2  ASP  12           HB2      ASP  12 -12.127   9.123   3.252
   81    HB3  ASP  12           HB3      ASP  12 -13.496   9.125   2.134
   82    H    ASP  13           H        ASP  13 -12.248  11.799  -0.476
   83    HA   ASP  13           HA       ASP  13 -12.682  14.140   1.048
   84    HB2  ASP  13           HB2      ASP  13 -13.330  15.185  -0.981
   85    HB3  ASP  13           HB3      ASP  13 -12.029  14.060  -1.349
   86    H    GLU  14           H        GLU  14 -14.971  11.656   0.027
   87    HA   GLU  14           HA       GLU  14 -17.387  12.981   0.878
   88    HB2  GLU  14           HB2      GLU  14 -17.308  11.047  -0.652
   89    HB3  GLU  14           HB3      GLU  14 -16.730  10.023   0.669
   90    HG2  GLU  14           HG2      GLU  14 -18.830  10.285   1.869
   91    HG3  GLU  14           HG3      GLU  14 -19.380  11.531   0.738
   92    H    ALA  15           H        ALA  15 -15.059  10.817   2.597
   93    HA   ALA  15           HA       ALA  15 -16.469  10.853   5.107
   94    HB1  ALA  15           HB1      ALA  15 -14.367  10.025   6.035
   95    HB2  ALA  15           HB2      ALA  15 -14.741   9.171   4.519
   96    HB3  ALA  15           HB3      ALA  15 -13.489  10.435   4.560
   97    H    VAL  16           H        VAL  16 -13.758  12.871   3.839
   98    HA   VAL  16           HA       VAL  16 -13.514  14.588   6.083
   99    HB   VAL  16           HB       VAL  16 -13.078  15.176   3.132
  100   HG11  VAL  16          HG11      VAL  16 -13.471  17.340   4.173
  101   HG12  VAL  16          HG12      VAL  16 -12.408  16.928   5.534
  102   HG13  VAL  16          HG13      VAL  16 -11.736  17.163   3.909
  103   HG21  VAL  16          HG21      VAL  16 -10.688  15.017   3.744
  104   HG22  VAL  16          HG22      VAL  16 -11.133  14.662   5.425
  105   HG23  VAL  16          HG23      VAL  16 -11.531  13.516   4.130
  106    H    LYS  17           H        LYS  17 -15.714  14.991   3.217
  107    HA   LYS  17           HA       LYS  17 -17.046  17.315   4.151
  108    HB2  LYS  17           HB2      LYS  17 -17.116  16.434   1.846
  109    HB3  LYS  17           HB3      LYS  17 -18.076  15.050   2.392
  110    HG2  LYS  17           HG2      LYS  17 -19.927  16.545   3.030
  111    HG3  LYS  17           HG3      LYS  17 -18.926  17.966   2.700
  112    HD2  LYS  17           HD2      LYS  17 -20.489  17.636   0.888
  113    HD3  LYS  17           HD3      LYS  17 -18.839  17.370   0.305
  114    HE2  LYS  17           HE2      LYS  17 -19.172  14.914   0.457
  115    HE3  LYS  17           HE3      LYS  17 -20.794  15.163   1.120
  116    HZ1  LYS  17           HZ1      LYS  17 -19.920  16.001  -1.599
  117    HZ2  LYS  17           HZ2      LYS  17 -20.874  14.713  -1.264
  118    HZ3  LYS  17           HZ3      LYS  17 -21.419  16.224  -0.982
  119    H    GLU  18           H        GLU  18 -17.924  13.845   4.723
  120    HA   GLU  18           HA       GLU  18 -20.183  14.452   6.371
  121    HB2  GLU  18           HB2      GLU  18 -18.427  11.991   6.166
  122    HB3  GLU  18           HB3      GLU  18 -19.775  12.126   7.316
  123    HG2  GLU  18           HG2      GLU  18 -21.301  12.696   5.405
  124    HG3  GLU  18           HG3      GLU  18 -19.984  12.344   4.288
  125    H    VAL  19           H        VAL  19 -16.720  13.965   7.352
  126    HA   VAL  19           HA       VAL  19 -17.101  14.397  10.147
  127    HB   VAL  19           HB       VAL  19 -14.757  15.342   8.478
  128   HG11  VAL  19          HG11      VAL  19 -15.052  14.885  11.485
  129   HG12  VAL  19          HG12      VAL  19 -13.510  15.185  10.665
  130   HG13  VAL  19          HG13      VAL  19 -14.759  16.437  10.689
  131   HG21  VAL  19          HG21      VAL  19 -14.685  12.885  10.211
  132   HG22  VAL  19          HG22      VAL  19 -15.334  12.738   8.588
  133   HG23  VAL  19          HG23      VAL  19 -13.679  13.319   8.825
  134    H    CYS  20           H        CYS  20 -16.730  16.854   7.525
  135    HA   CYS  20           HA       CYS  20 -16.657  19.134   9.181
  136    HB2  CYS  20           HB2      CYS  20 -17.756  18.829   6.349
  137    HB3  CYS  20           HB3      CYS  20 -17.458  20.365   7.165
  138    HG   CYS  20           HG       CYS  20 -15.238  17.930   6.679
  139    H    GLU  21           H        GLU  21 -19.584  17.478   7.917
  140    HA   GLU  21           HA       GLU  21 -21.308  19.424   9.288
  141    HB2  GLU  21           HB2      GLU  21 -23.172  18.203   8.370
  142    HB3  GLU  21           HB3      GLU  21 -21.996  18.625   7.128
  143    HG2  GLU  21           HG2      GLU  21 -21.141  16.299   7.146
  144    HG3  GLU  21           HG3      GLU  21 -22.321  15.859   8.385
  145    H    LYS  22           H        LYS  22 -20.269  16.037   9.934
  146    HA   LYS  22           HA       LYS  22 -22.205  15.705  12.072
  147    HB2  LYS  22           HB2      LYS  22 -21.122  13.969  10.510
  148    HB3  LYS  22           HB3      LYS  22 -19.717  14.021  11.568
  149    HG2  LYS  22           HG2      LYS  22 -22.477  13.531  12.740
  150    HG3  LYS  22           HG3      LYS  22 -21.724  12.244  11.807
  151    HD2  LYS  22           HD2      LYS  22 -19.875  12.049  13.308
  152    HD3  LYS  22           HD3      LYS  22 -20.350  13.521  14.204
  153    HE2  LYS  22           HE2      LYS  22 -22.490  12.405  14.844
  154    HE3  LYS  22           HE3      LYS  22 -21.989  10.952  13.976
  155    HZ1  LYS  22           HZ1      LYS  22 -21.523  10.776  16.343
  156    HZ2  LYS  22           HZ2      LYS  22 -20.113  10.752  15.519
  157    HZ3  LYS  22           HZ3      LYS  22 -20.575  12.104  16.325
  158    H    PHE  23           H        PHE  23 -18.701  16.360  12.013
  159    HA   PHE  23           HA       PHE  23 -18.465  16.641  14.921
  160    HB2  PHE  23           HB2      PHE  23 -16.750  15.734  13.203
  161    HB3  PHE  23           HB3      PHE  23 -16.457  17.417  12.784
  162    HD1  PHE  23           HD2      PHE  23 -16.192  14.850  15.430
  163    HD2  PHE  23           HD1      PHE  23 -15.210  18.889  14.288
  164    HE1  PHE  23           HE2      PHE  23 -14.548  14.965  17.264
  165    HE2  PHE  23           HE1      PHE  23 -13.572  19.014  16.141
  166    HZ   PHE  23           HZ       PHE  23 -13.235  17.065  17.643
  167    H    GLU  24           H        GLU  24 -19.144  18.762  12.237
  168    HA   GLU  24           HA       GLU  24 -19.723  20.927  12.047
  169    HB2  GLU  24           HB2      GLU  24 -19.660  21.159  15.077
  170    HB3  GLU  24           HB3      GLU  24 -20.283  22.337  13.934
  171    HG2  GLU  24           HG2      GLU  24 -21.950  20.671  13.117
  172    HG3  GLU  24           HG3      GLU  24 -21.363  19.512  14.313
  173    H    CYS  25           H        CYS  25 -17.660  20.902  10.983
  174    HA   CYS  25           HA       CYS  25 -15.776  22.953  11.901
  175    HB2  CYS  25           HB2      CYS  25 -13.839  21.485  12.022
  176    HB3  CYS  25           HB3      CYS  25 -15.074  20.899  13.143
  177    HG   CYS  25           HG       CYS  25 -13.875  18.840  11.998
  178    H    THR  26           H        THR  26 -13.778  22.891  10.272
  179    HA   THR  26           HA       THR  26 -14.922  22.916   7.513
  180    HB   THR  26           HB       THR  26 -13.124  24.467   6.954
  181    HG1  THR  26           HG1      THR  26 -12.440  24.206   9.703
  182   HG21  THR  26          HG21      THR  26 -15.238  25.392   7.901
  183   HG22  THR  26          HG22      THR  26 -14.503  25.373   9.522
  184   HG23  THR  26          HG23      THR  26 -13.819  26.397   8.247
  185    H    GLU  27           H        GLU  27 -13.684  22.224   5.722
  186    HA   GLU  27           HA       GLU  27 -12.605  19.643   5.958
  187    HB2  GLU  27           HB2      GLU  27 -12.040  21.677   3.759
  188    HB3  GLU  27           HB3      GLU  27 -11.774  19.933   3.658
  189    HG2  GLU  27           HG2      GLU  27 -14.196  19.524   3.907
  190    HG3  GLU  27           HG3      GLU  27 -14.497  21.257   4.028
  191    H    SER  28           H        SER  28 -10.807  22.758   5.723
  192    HA   SER  28           HA       SER  28  -8.193  21.743   5.717
  193    HB2  SER  28           HB2      SER  28  -9.161  24.289   7.085
  194    HB3  SER  28           HB3      SER  28  -7.522  23.948   6.510
  195    HG   SER  28           HG       SER  28  -8.716  25.227   5.014
  196    H    GLU  29           H        GLU  29 -10.365  22.148   8.525
  197    HA   GLU  29           HA       GLU  29  -8.288  21.648  10.525
  198    HB2  GLU  29           HB2      GLU  29 -11.325  21.523  10.659
  199    HB3  GLU  29           HB3      GLU  29 -10.265  21.271  12.037
  200    HG2  GLU  29           HG2      GLU  29  -9.432  23.502  11.980
  201    HG3  GLU  29           HG3      GLU  29 -10.162  23.831  10.408
  202    H    VAL  30           H        VAL  30 -10.764  19.681   8.837
  203    HA   VAL  30           HA       VAL  30 -10.213  17.213  10.230
  204    HB   VAL  30           HB       VAL  30 -11.292  17.547   7.406
  205   HG11  VAL  30          HG11      VAL  30 -11.431  15.216   9.372
  206   HG12  VAL  30          HG12      VAL  30 -12.346  15.323   7.855
  207   HG13  VAL  30          HG13      VAL  30 -10.585  15.233   7.812
  208   HG21  VAL  30          HG21      VAL  30 -13.527  17.299   8.485
  209   HG22  VAL  30          HG22      VAL  30 -12.735  17.416  10.080
  210   HG23  VAL  30          HG23      VAL  30 -12.716  18.781   8.958
  211    H    MET  31           H        MET  31  -9.014  18.513   7.100
  212    HA   MET  31           HA       MET  31  -7.225  16.335   6.548
  213    HB2  MET  31           HB2      MET  31  -7.222  19.224   5.577
  214    HB3  MET  31           HB3      MET  31  -6.179  17.935   4.951
  215    HG2  MET  31           HG2      MET  31  -8.255  16.599   4.405
  216    HG3  MET  31           HG3      MET  31  -9.223  17.983   4.889
  217    HE1  MET  31           HE1      MET  31  -6.624  17.649   1.080
  218    HE2  MET  31           HE2      MET  31  -5.875  17.625   2.689
  219    HE3  MET  31           HE3      MET  31  -6.994  16.329   2.206
  220    H    ASN  32           H        ASN  32  -6.668  19.414   8.368
  221    HA   ASN  32           HA       ASN  32  -3.897  19.252   8.576
  222    HB2  ASN  32           HB2      ASN  32  -5.112  21.179   9.379
  223    HB3  ASN  32           HB3      ASN  32  -5.932  20.223  10.619
  224   HD21  ASN  32          HD22      ASN  32  -4.896  19.940  12.630
  225   HD22  ASN  32          HD21      ASN  32  -3.272  20.521  12.943
  226    H    SER  33           H        SER  33  -6.193  17.746  10.993
  227    HA   SER  33           HA       SER  33  -4.042  16.516  12.432
  228    HB2  SER  33           HB2      SER  33  -6.960  15.697  12.367
  229    HB3  SER  33           HB3      SER  33  -5.740  15.214  13.567
  230    HG   SER  33           HG       SER  33  -6.842  16.967  14.407
  231    H    LEU  34           H        LEU  34  -5.457  15.550   9.436
  232    HA   LEU  34           HA       LEU  34  -4.547  12.733   9.653
  233    HB2  LEU  34           HB2      LEU  34  -6.013  14.338   7.514
  234    HB3  LEU  34           HB3      LEU  34  -5.591  12.639   7.336
  235    HG   LEU  34           HG       LEU  34  -7.364  13.695   9.586
  236   HD11  LEU  34          HD11      LEU  34  -8.355  14.125   7.331
  237   HD12  LEU  34          HD12      LEU  34  -8.249  12.384   6.989
  238   HD13  LEU  34          HD13      LEU  34  -9.273  12.987   8.313
  239   HD21  LEU  34          HD21      LEU  34  -8.055  11.340   9.805
  240   HD22  LEU  34          HD22      LEU  34  -6.929  10.870   8.516
  241   HD23  LEU  34          HD23      LEU  34  -6.314  11.497  10.062
  242    H    TYR  35           H        TYR  35  -3.438  15.793   8.389
  243    HA   TYR  35           HA       TYR  35  -1.407  14.468   6.653
  244    HB2  TYR  35           HB2      TYR  35  -3.185  16.159   5.860
  245    HB3  TYR  35           HB3      TYR  35  -2.236  17.386   6.678
  246    HD1  TYR  35           HD1      TYR  35   0.059  17.958   5.784
  247    HD2  TYR  35           HD2      TYR  35  -2.524  15.117   3.826
  248    HE1  TYR  35           HE1      TYR  35   1.447  18.118   3.726
  249    HE2  TYR  35           HE2      TYR  35  -1.157  15.289   1.767
  250    HH   TYR  35           HH       TYR  35   0.765  16.114   0.828
  251    H    SER  36           H        SER  36  -1.665  16.918   9.219
  252    HA   SER  36           HA       SER  36   1.330  16.983   9.538
  253    HB2  SER  36           HB2      SER  36  -0.676  19.266   9.799
  254    HB3  SER  36           HB3      SER  36   1.072  19.377  10.086
  255    HG   SER  36           HG       SER  36   0.516  20.097   7.993
  256    H    GLY  37           H        GLY  37  -1.726  16.661  11.232
  257    HA2  GLY  37           HA2      GLY  37  -0.466  16.993  13.908
  258    HA3  GLY  37           HA3      GLY  37  -2.161  16.630  13.563
  259    H    ASP  38           H        ASP  38  -2.607  14.721  14.462
  260    HA   ASP  38           HA       ASP  38  -1.011  12.347  13.763
  261    HB2  ASP  38           HB2      ASP  38  -0.047  13.225  15.841
  262    HB3  ASP  38           HB3      ASP  38  -1.630  13.180  16.620
  263    HA   PRO  39           HA       PRO  39  -5.063  10.636  13.166
  264    HB2  PRO  39           HB2      PRO  39  -3.806   8.098  14.218
  265    HB3  PRO  39           HB3      PRO  39  -4.889   8.311  12.807
  266    HG2  PRO  39           HG2      PRO  39  -2.219   8.125  12.438
  267    HG3  PRO  39           HG3      PRO  39  -3.147   9.387  11.554
  268    HD2  PRO  39           HD2      PRO  39  -1.466   9.683  14.049
  269    HD3  PRO  39           HD3      PRO  39  -1.570  10.738  12.608
  270    H    GLN  40           H        GLN  40  -3.680  10.581  16.355
  271    HA   GLN  40           HA       GLN  40  -6.034   9.375  17.686
  272    HB2  GLN  40           HB2      GLN  40  -3.453  10.600  18.740
  273    HB3  GLN  40           HB3      GLN  40  -4.673   9.823  19.740
  274    HG2  GLN  40           HG2      GLN  40  -4.297   7.665  18.772
  275    HG3  GLN  40           HG3      GLN  40  -3.304   8.321  17.468
  276   HE21  GLN  40          HE22      GLN  40  -1.265   9.489  18.142
  277   HE22  GLN  40          HE21      GLN  40  -0.373   8.791  19.507
  278    H    ASP  41           H        ASP  41  -5.278  12.485  16.519
  279    HA   ASP  41           HA       ASP  41  -6.575  14.094  18.564
  280    HB2  ASP  41           HB2      ASP  41  -4.956  15.072  17.039
  281    HB3  ASP  41           HB3      ASP  41  -5.923  14.586  15.644
  282    H    GLN  42           H        GLN  42  -8.652  14.980  18.530
  283    HA   GLN  42           HA       GLN  42 -10.731  13.190  18.016
  284    HB2  GLN  42           HB2      GLN  42 -10.872  16.213  18.374
  285    HB3  GLN  42           HB3      GLN  42 -12.243  15.099  18.478
  286    HG2  GLN  42           HG2      GLN  42 -11.124  13.899  20.360
  287    HG3  GLN  42           HG3      GLN  42  -9.829  15.101  20.343
  288   HE21  GLN  42          HE22      GLN  42 -10.556  17.481  20.668
  289   HE22  GLN  42          HE21      GLN  42 -11.923  17.717  21.746
  290    H    LEU  43           H        LEU  43  -9.593  15.780  15.782
  291    HA   LEU  43           HA       LEU  43 -11.850  15.507  13.956
  292    HB2  LEU  43           HB2      LEU  43  -9.052  16.689  13.742
  293    HB3  LEU  43           HB3      LEU  43 -10.176  16.732  12.406
  294    HG   LEU  43           HG       LEU  43 -11.110  17.799  15.079
  295   HD11  LEU  43          HD11      LEU  43  -8.941  18.883  14.790
  296   HD12  LEU  43          HD12      LEU  43  -9.363  19.343  13.132
  297   HD13  LEU  43          HD13      LEU  43 -10.251  20.041  14.500
  298   HD21  LEU  43          HD21      LEU  43 -12.455  19.262  13.637
  299   HD22  LEU  43          HD22      LEU  43 -11.646  18.631  12.185
  300   HD23  LEU  43          HD23      LEU  43 -12.688  17.573  13.150
  301    H    ALA  44           H        ALA  44  -8.697  13.896  14.220
  302    HA   ALA  44           HA       ALA  44  -9.055  12.401  11.704
  303    HB1  ALA  44           HB1      ALA  44  -6.986  11.283  12.428
  304    HB2  ALA  44           HB2      ALA  44  -6.806  13.046  12.447
  305    HB3  ALA  44           HB3      ALA  44  -7.024  12.160  13.976
  306    H    VAL  45           H        VAL  45  -9.413  11.759  15.198
  307    HA   VAL  45           HA       VAL  45 -10.309   9.055  14.994
  308    HB   VAL  45           HB       VAL  45 -10.922  11.217  17.025
  309   HG11  VAL  45          HG11      VAL  45 -12.802   9.644  17.164
  310   HG12  VAL  45          HG12      VAL  45 -11.673   8.268  17.194
  311   HG13  VAL  45          HG13      VAL  45 -11.727   9.421  18.545
  312   HG21  VAL  45          HG21      VAL  45  -9.164   8.723  17.166
  313   HG22  VAL  45          HG22      VAL  45  -8.571  10.373  16.905
  314   HG23  VAL  45          HG23      VAL  45  -9.352   9.954  18.434
  315    H    ALA  46           H        ALA  46 -12.229  12.145  14.816
  316    HA   ALA  46           HA       ALA  46 -14.748  10.987  14.262
  317    HB1  ALA  46           HB1      ALA  46 -13.550  13.588  13.210
  318    HB2  ALA  46           HB2      ALA  46 -15.273  13.168  13.276
  319    HB3  ALA  46           HB3      ALA  46 -14.354  13.361  14.778
  320    H    TYR  47           H        TYR  47 -12.194  11.936  11.873
  321    HA   TYR  47           HA       TYR  47 -13.491  10.972   9.551
  322    HB2  TYR  47           HB2      TYR  47 -11.551  12.406   9.504
  323    HB3  TYR  47           HB3      TYR  47 -10.567  11.206  10.302
  324    HD1  TYR  47           HD1      TYR  47 -12.155  12.148   7.092
  325    HD2  TYR  47           HD2      TYR  47  -9.552   9.368   9.123
  326    HE1  TYR  47           HE1      TYR  47 -11.242  11.382   4.896
  327    HE2  TYR  47           HE2      TYR  47  -8.643   8.613   6.942
  328    HH   TYR  47           HH       TYR  47  -8.742   8.827   4.682
  329    H    HIS  48           H        HIS  48 -11.316   9.115  11.746
  330    HA   HIS  48           HA       HIS  48 -11.533   6.640  10.325
  331    HB2  HIS  48           HB2      HIS  48  -9.825   7.145  12.034
  332    HB3  HIS  48           HB3      HIS  48 -11.054   7.185  13.292
  333    HD1  HIS  48           HD1      HIS  48 -11.166   4.916  14.583
  334    HD2  HIS  48           HD2      HIS  48  -9.873   4.577  10.594
  335    HE1  HIS  48           HE1      HIS  48 -10.652   2.453  14.208
  336    H    LEU  49           H        LEU  49 -13.498   7.798  13.122
  337    HA   LEU  49           HA       LEU  49 -15.238   5.505  13.238
  338    HB2  LEU  49           HB2      LEU  49 -15.218   8.316  14.363
  339    HB3  LEU  49           HB3      LEU  49 -16.715   7.413  14.401
  340    HG   LEU  49           HG       LEU  49 -15.833   5.675  15.751
  341   HD11  LEU  49          HD11      LEU  49 -13.551   5.637  16.678
  342   HD12  LEU  49          HD12      LEU  49 -13.529   5.438  14.925
  343   HD13  LEU  49          HD13      LEU  49 -13.091   7.005  15.650
  344   HD21  LEU  49          HD21      LEU  49 -15.300   6.952  17.801
  345   HD22  LEU  49          HD22      LEU  49 -14.939   8.391  16.823
  346   HD23  LEU  49          HD23      LEU  49 -16.592   7.735  16.875
  347    H    ILE  50           H        ILE  50 -15.501   8.564  11.428
  348    HA   ILE  50           HA       ILE  50 -18.156   7.944  10.395
  349    HB   ILE  50           HB       ILE  50 -16.060  10.031   9.759
  350   HG12  ILE  50          HG12      ILE  50 -18.918  10.176  10.876
  351   HG13  ILE  50          HG13      ILE  50 -17.488  10.053  11.891
  352   HG21  ILE  50          HG21      ILE  50 -17.645  11.146   8.260
  353   HG22  ILE  50          HG22      ILE  50 -17.156   9.592   7.607
  354   HG23  ILE  50          HG23      ILE  50 -18.756   9.758   8.373
  355   HD11  ILE  50          HD11      ILE  50 -16.641  12.191  10.941
  356   HD12  ILE  50          HD12      ILE  50 -18.201  12.369  10.080
  357   HD13  ILE  50          HD13      ILE  50 -18.141  12.331  11.851
  358    H    ILE  51           H        ILE  51 -14.879   7.232   9.191
  359    HA   ILE  51           HA       ILE  51 -15.882   6.020   6.720
  360    HB   ILE  51           HB       ILE  51 -13.235   5.936   8.199
  361   HG12  ILE  51          HG12      ILE  51 -14.102   6.957   5.448
  362   HG13  ILE  51          HG13      ILE  51 -13.981   7.952   6.895
  363   HG21  ILE  51          HG21      ILE  51 -13.949   4.386   5.667
  364   HG22  ILE  51          HG22      ILE  51 -12.295   4.651   6.268
  365   HG23  ILE  51          HG23      ILE  51 -13.413   3.722   7.233
  366   HD11  ILE  51          HD11      ILE  51 -12.053   8.337   5.559
  367   HD12  ILE  51          HD12      ILE  51 -11.536   7.456   7.014
  368   HD13  ILE  51          HD13      ILE  51 -11.668   6.621   5.443
  369    H    ASP  52           H        ASP  52 -15.362   4.729  10.026
  370    HA   ASP  52           HA       ASP  52 -16.163   2.026   9.354
  371    HB2  ASP  52           HB2      ASP  52 -15.037   2.779  11.496
  372    HB3  ASP  52           HB3      ASP  52 -16.582   3.491  11.985
  373    H    ASN  53           H        ASN  53 -18.052   4.865  10.488
  374    HA   ASN  53           HA       ASN  53 -20.601   3.680  10.462
  375    HB2  ASN  53           HB2      ASN  53 -20.038   5.898  11.440
  376    HB3  ASN  53           HB3      ASN  53 -19.852   6.569   9.824
  377   HD21  ASN  53          HD22      ASN  53 -22.138   5.599  12.279
  378   HD22  ASN  53          HD21      ASN  53 -23.565   6.154  11.419
  379    H    ARG  54           H        ARG  54 -19.090   5.594   7.854
  380    HA   ARG  54           HA       ARG  54 -20.962   5.375   5.810
  381    HB2  ARG  54           HB2      ARG  54 -19.085   6.913   5.903
  382    HB3  ARG  54           HB3      ARG  54 -17.936   5.579   5.798
  383    HG2  ARG  54           HG2      ARG  54 -18.613   5.144   3.470
  384    HG3  ARG  54           HG3      ARG  54 -19.816   6.451   3.564
  385    HD2  ARG  54           HD2      ARG  54 -18.056   8.102   3.972
  386    HD3  ARG  54           HD3      ARG  54 -16.843   6.838   4.139
  387    HE   ARG  54           HE       ARG  54 -18.278   7.550   1.586
  388   HH11  ARG  54          HH21      ARG  54 -15.251   6.317   3.038
  389   HH12  ARG  54          HH22      ARG  54 -14.401   6.546   1.523
  390   HH21  ARG  54          HH11      ARG  54 -17.231   7.601  -0.207
  391   HH22  ARG  54          HH12      ARG  54 -15.538   7.115  -0.343
  392    H    ARG  55           H        ARG  55 -18.392   3.056   6.593
  393    HA   ARG  55           HA       ARG  55 -19.043   1.270   4.343
  394    HB2  ARG  55           HB2      ARG  55 -17.226   0.983   6.762
  395    HB3  ARG  55           HB3      ARG  55 -17.425  -0.275   5.538
  396    HG2  ARG  55           HG2      ARG  55 -16.590   1.184   3.774
  397    HG3  ARG  55           HG3      ARG  55 -16.445   2.545   4.895
  398    HD2  ARG  55           HD2      ARG  55 -14.944  -0.100   5.082
  399    HD3  ARG  55           HD3      ARG  55 -14.270   1.432   4.499
  400    HE   ARG  55           HE       ARG  55 -15.180   2.158   6.945
  401   HH11  ARG  55          HH11      ARG  55 -13.041  -0.508   5.996
  402   HH12  ARG  55          HH12      ARG  55 -12.252  -0.564   7.544
  403   HH21  ARG  55          HH21      ARG  55 -14.071   2.054   8.930
  404   HH22  ARG  55          HH22      ARG  55 -12.836   0.861   9.173
  405    H    ILE  56           H        ILE  56 -19.314   0.946   7.933
  406    HA   ILE  56           HA       ILE  56 -20.838  -1.576   7.575
  407    HB   ILE  56           HB       ILE  56 -19.806  -0.271  10.123
  408   HG12  ILE  56          HG12      ILE  56 -17.861  -0.693   8.777
  409   HG13  ILE  56          HG13      ILE  56 -17.950  -1.882  10.055
  410   HG21  ILE  56          HG21      ILE  56 -21.571  -1.882  10.585
  411   HG22  ILE  56          HG22      ILE  56 -20.805  -3.093   9.539
  412   HG23  ILE  56          HG23      ILE  56 -20.018  -2.586  11.046
  413   HD11  ILE  56          HD11      ILE  56 -18.792  -3.576   8.420
  414   HD12  ILE  56          HD12      ILE  56 -18.665  -2.360   7.125
  415   HD13  ILE  56          HD13      ILE  56 -17.215  -2.911   7.974
  416    H    MET  57           H        MET  57 -21.390   1.449   9.424
  417    HA   MET  57           HA       MET  57 -23.956   0.470  10.388
  418    HB2  MET  57           HB2      MET  57 -22.840   3.298  10.406
  419    HB3  MET  57           HB3      MET  57 -24.237   2.727  11.318
  420    HG2  MET  57           HG2      MET  57 -22.821   1.103  12.532
  421    HG3  MET  57           HG3      MET  57 -21.398   1.662  11.651
  422    HE1  MET  57           HE1      MET  57 -20.586   2.964  15.184
  423    HE2  MET  57           HE2      MET  57 -21.338   1.428  14.720
  424    HE3  MET  57           HE3      MET  57 -20.001   2.089  13.754
  425    H    ASN  58           H        ASN  58 -22.985   2.469   7.689
  426    HA   ASN  58           HA       ASN  58 -25.434   3.346   6.635
  427    HB2  ASN  58           HB2      ASN  58 -23.103   3.954   5.957
  428    HB3  ASN  58           HB3      ASN  58 -22.928   2.348   5.241
  429   HD21  ASN  58          HD22      ASN  58 -22.376   3.475   3.274
  430   HD22  ASN  58          HD21      ASN  58 -23.654   4.125   2.248
  431    H    GLN  59           H        GLN  59 -24.090   0.055   6.655
  432    HA   GLN  59           HA       GLN  59 -26.221  -0.931   4.778
  433    HB2  GLN  59           HB2      GLN  59 -23.550  -2.134   5.633
  434    HB3  GLN  59           HB3      GLN  59 -24.744  -2.934   4.603
  435    HG2  GLN  59           HG2      GLN  59 -24.547  -1.064   2.945
  436    HG3  GLN  59           HG3      GLN  59 -23.258  -0.355   3.929
  437   HE21  GLN  59          HE22      GLN  59 -21.189  -1.560   4.114
  438   HE22  GLN  59          HE21      GLN  59 -20.805  -2.779   2.900
  439    H    ALA  60           H        ALA  60 -24.862  -1.365   8.065
  440    HA   ALA  60           HA       ALA  60 -26.287  -3.727   8.715
  441    HB1  ALA  60           HB1      ALA  60 -25.535  -3.208  10.998
  442    HB2  ALA  60           HB2      ALA  60 -24.236  -2.889   9.836
  443    HB3  ALA  60           HB3      ALA  60 -25.167  -1.536  10.519
  444    H    SER  61           H        SER  61 -27.494  -0.439   8.674
  445    HA   SER  61           HA       SER  61 -30.173  -1.316   9.400
  446    HB2  SER  61           HB2      SER  61 -30.461   0.198  11.303
  447    HB3  SER  61           HB3      SER  61 -29.262  -1.050  11.637
  448    HG   SER  61           HG       SER  61 -28.579   1.027  12.341
  449    H    GLU  62           H        GLU  62 -31.747   0.564   9.424
  450    HA   GLU  62           HA       GLU  62 -31.084   2.916   7.806
  451    HB2  GLU  62           HB2      GLU  62 -31.366   1.109   6.113
  452    HB3  GLU  62           HB3      GLU  62 -32.989   0.793   6.730
  453    HG2  GLU  62           HG2      GLU  62 -33.678   3.101   6.094
  454    HG3  GLU  62           HG3      GLU  62 -32.030   3.442   5.557
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1   3.901  12.162  -3.511
    2    H2   GLY   1           H2       GLY   1   3.309  10.663  -3.220
    3    H3   GLY   1           H3       GLY   1   3.643  11.126  -4.752
    4    HA2  GLY   1           HA2      GLY   1   1.258  11.154  -4.369
    5    HA3  GLY   1           HA3      GLY   1   1.530  12.272  -3.025
    6    HA   PRO   2           HA       PRO   2   1.270  14.460  -7.292
    7    HB2  PRO   2           HB2      PRO   2  -1.384  14.970  -7.675
    8    HB3  PRO   2           HB3      PRO   2  -0.612  13.427  -8.152
    9    HG2  PRO   2           HG2      PRO   2  -2.155  14.040  -5.616
   10    HG3  PRO   2           HG3      PRO   2  -2.369  12.651  -6.722
   11    HD2  PRO   2           HD2      PRO   2  -0.883  12.474  -4.442
   12    HD3  PRO   2           HD3      PRO   2  -0.418  11.601  -5.934
   13    H    HIS   3           H        HIS   3   1.100  16.715  -7.571
   14    HA   HIS   3           HA       HIS   3   1.235  18.262  -5.140
   15    HB2  HIS   3           HB2      HIS   3   2.516  18.499  -7.359
   16    HB3  HIS   3           HB3      HIS   3   1.084  19.299  -7.998
   17    HD1  HIS   3           HD1      HIS   3   0.528  21.211  -5.421
   18    HD2  HIS   3           HD2      HIS   3   4.204  20.456  -7.313
   19    HE1  HIS   3           HE1      HIS   3   2.029  23.213  -4.894
   20    H    MET   4           H        MET   4  -1.421  17.544  -7.276
   21    HA   MET   4           HA       MET   4  -3.022  19.868  -6.942
   22    HB2  MET   4           HB2      MET   4  -3.870  17.000  -7.565
   23    HB3  MET   4           HB3      MET   4  -4.859  18.447  -7.772
   24    HG2  MET   4           HG2      MET   4  -4.070  18.019  -9.911
   25    HG3  MET   4           HG3      MET   4  -3.061  19.342  -9.340
   26    HE1  MET   4           HE1      MET   4  -1.375  19.021 -11.292
   27    HE2  MET   4           HE2      MET   4  -0.668  17.467 -11.763
   28    HE3  MET   4           HE3      MET   4  -2.413  17.735 -11.939
   29    H    SER   5           H        SER   5  -2.782  16.979  -4.947
   30    HA   SER   5           HA       SER   5  -3.621  18.078  -2.520
   31    HB2  SER   5           HB2      SER   5  -5.878  16.685  -4.002
   32    HB3  SER   5           HB3      SER   5  -5.795  16.714  -2.233
   33    HG   SER   5           HG       SER   5  -5.667  19.042  -3.835
   34    H    TYR   6           H        TYR   6  -2.763  16.783  -0.988
   35    HA   TYR   6           HA       TYR   6  -2.907  13.906  -1.006
   36    HB2  TYR   6           HB2      TYR   6  -1.060  14.326  -2.671
   37    HB3  TYR   6           HB3      TYR   6  -0.169  15.171  -1.415
   38    HD1  TYR   6           HD1      TYR   6  -1.801  11.883  -2.209
   39    HD2  TYR   6           HD2      TYR   6   1.298  13.917  -0.009
   40    HE1  TYR   6           HE1      TYR   6  -0.878   9.689  -1.485
   41    HE2  TYR   6           HE2      TYR   6   2.216  11.731   0.735
   42    HH   TYR   6           HH       TYR   6   1.990   9.448   0.662
   43    H    ASP   7           H        ASP   7  -1.864  12.957   0.926
   44    HA   ASP   7           HA       ASP   7  -1.005  14.617   3.126
   45    HB2  ASP   7           HB2      ASP   7  -2.875  14.307   4.583
   46    HB3  ASP   7           HB3      ASP   7  -3.469  15.077   3.117
   47    H    ALA   8           H        ALA   8  -0.428  13.348   5.039
   48    HA   ALA   8           HA       ALA   8   1.004  11.039   4.311
   49    HB1  ALA   8           HB1      ALA   8   0.227  12.077   7.079
   50    HB2  ALA   8           HB2      ALA   8   1.538  10.934   6.726
   51    HB3  ALA   8           HB3      ALA   8   1.637  12.594   6.124
   52    H    ASN   9           H        ASN   9  -2.140  11.260   5.998
   53    HA   ASN   9           HA       ASN   9  -2.397   8.396   6.443
   54    HB2  ASN   9           HB2      ASN   9  -3.572   9.826   7.910
   55    HB3  ASN   9           HB3      ASN   9  -4.192  10.817   6.594
   56   HD21  ASN   9          HD22      ASN   9  -6.166  10.359   5.694
   57   HD22  ASN   9          HD21      ASN   9  -7.111   8.936   6.114
   58    H    VAL  10           H        VAL  10  -3.554  10.640   3.981
   59    HA   VAL  10           HA       VAL  10  -4.171  10.485   1.865
   60    HB   VAL  10           HB       VAL  10  -4.069   7.443   1.883
   61   HG11  VAL  10          HG11      VAL  10  -5.569   8.373   0.147
   62   HG12  VAL  10          HG12      VAL  10  -4.294   9.507  -0.358
   63   HG13  VAL  10          HG13      VAL  10  -4.083   7.752  -0.578
   64   HG21  VAL  10          HG21      VAL  10  -1.955   7.818   0.583
   65   HG22  VAL  10          HG22      VAL  10  -2.088   9.560   0.924
   66   HG23  VAL  10          HG23      VAL  10  -1.810   8.412   2.246
   67    H    ILE  11           H        ILE  11  -5.911  11.495   2.484
   68    HA   ILE  11           HA       ILE  11  -8.117  10.262   3.876
   69    HB   ILE  11           HB       ILE  11  -6.961  12.660   3.937
   70   HG12  ILE  11          HG12      ILE  11  -9.925  12.407   4.493
   71   HG13  ILE  11          HG13      ILE  11  -8.643  11.724   5.501
   72   HG21  ILE  11          HG21      ILE  11  -8.095  14.421   2.798
   73   HG22  ILE  11          HG22      ILE  11  -7.721  13.198   1.579
   74   HG23  ILE  11          HG23      ILE  11  -9.375  13.334   2.221
   75   HD11  ILE  11          HD11      ILE  11  -9.411  13.884   6.375
   76   HD12  ILE  11          HD12      ILE  11  -7.692  13.938   5.916
   77   HD13  ILE  11          HD13      ILE  11  -8.919  14.689   4.882
   78    H    ASP  12           H        ASP  12 -10.462  10.969   3.255
   79    HA   ASP  12           HA       ASP  12 -11.007  10.537   0.357
   80    HB2  ASP  12           HB2      ASP  12 -11.627   8.566   1.918
   81    HB3  ASP  12           HB3      ASP  12 -12.892   9.630   2.549
   82    H    ASP  13           H        ASP  13 -11.975  12.244  -0.513
   83    HA   ASP  13           HA       ASP  13 -12.719  14.610   0.852
   84    HB2  ASP  13           HB2      ASP  13 -12.125  14.534  -1.522
   85    HB3  ASP  13           HB3      ASP  13 -13.530  13.516  -1.871
   86    H    GLU  14           H        GLU  14 -14.665  11.715   0.142
   87    HA   GLU  14           HA       GLU  14 -17.220  12.976   0.770
   88    HB2  GLU  14           HB2      GLU  14 -16.960  11.048  -0.775
   89    HB3  GLU  14           HB3      GLU  14 -16.510  10.035   0.608
   90    HG2  GLU  14           HG2      GLU  14 -18.710  10.344   1.618
   91    HG3  GLU  14           HG3      GLU  14 -19.143  11.552   0.399
   92    H    ALA  15           H        ALA  15 -14.908  10.897   2.565
   93    HA   ALA  15           HA       ALA  15 -16.410  10.855   5.022
   94    HB1  ALA  15           HB1      ALA  15 -14.268  10.224   6.047
   95    HB2  ALA  15           HB2      ALA  15 -14.503   9.333   4.527
   96    HB3  ALA  15           HB3      ALA  15 -13.380  10.716   4.597
   97    H    VAL  16           H        VAL  16 -13.838  13.099   3.835
   98    HA   VAL  16           HA       VAL  16 -13.925  14.840   6.098
   99    HB   VAL  16           HB       VAL  16 -13.246  15.454   3.190
  100   HG11  VAL  16          HG11      VAL  16 -13.743  17.591   4.265
  101   HG12  VAL  16          HG12      VAL  16 -12.757  17.158   5.680
  102   HG13  VAL  16          HG13      VAL  16 -11.996  17.435   4.098
  103   HG21  VAL  16          HG21      VAL  16 -10.929  15.283   3.934
  104   HG22  VAL  16          HG22      VAL  16 -11.449  15.027   5.619
  105   HG23  VAL  16          HG23      VAL  16 -11.765  13.798   4.392
  106    H    LYS  17           H        LYS  17 -15.983  14.834   3.139
  107    HA   LYS  17           HA       LYS  17 -17.444  17.218   3.713
  108    HB2  LYS  17           HB2      LYS  17 -17.440  15.417   1.623
  109    HB3  LYS  17           HB3      LYS  17 -18.852  14.860   2.463
  110    HG2  LYS  17           HG2      LYS  17 -19.563  16.396   0.800
  111    HG3  LYS  17           HG3      LYS  17 -19.793  17.183   2.359
  112    HD2  LYS  17           HD2      LYS  17 -18.986  18.737   0.696
  113    HD3  LYS  17           HD3      LYS  17 -17.788  18.593   1.961
  114    HE2  LYS  17           HE2      LYS  17 -17.578  16.958  -0.613
  115    HE3  LYS  17           HE3      LYS  17 -17.066  18.648  -0.552
  116    HZ1  LYS  17           HZ1      LYS  17 -15.182  17.269  -0.118
  117    HZ2  LYS  17           HZ2      LYS  17 -15.552  18.068   1.268
  118    HZ3  LYS  17           HZ3      LYS  17 -15.916  16.464   1.087
  119    H    GLU  18           H        GLU  18 -18.135  13.827   4.635
  120    HA   GLU  18           HA       GLU  18 -20.440  14.433   6.249
  121    HB2  GLU  18           HB2      GLU  18 -18.509  12.080   6.278
  122    HB3  GLU  18           HB3      GLU  18 -19.976  12.167   7.262
  123    HG2  GLU  18           HG2      GLU  18 -19.922  12.270   4.214
  124    HG3  GLU  18           HG3      GLU  18 -20.257  10.840   5.185
  125    H    VAL  19           H        VAL  19 -16.981  13.970   7.234
  126    HA   VAL  19           HA       VAL  19 -17.372  14.359  10.003
  127    HB   VAL  19           HB       VAL  19 -14.934  15.177   8.392
  128   HG11  VAL  19          HG11      VAL  19 -14.829  16.163  10.646
  129   HG12  VAL  19          HG12      VAL  19 -15.261  14.615  11.376
  130   HG13  VAL  19          HG13      VAL  19 -13.698  14.808  10.559
  131   HG21  VAL  19          HG21      VAL  19 -15.036  12.651  10.032
  132   HG22  VAL  19          HG22      VAL  19 -15.765  12.615   8.441
  133   HG23  VAL  19          HG23      VAL  19 -14.059  13.057   8.600
  134    H    CYS  20           H        CYS  20 -16.759  16.870   7.513
  135    HA   CYS  20           HA       CYS  20 -16.598  19.148   9.164
  136    HB2  CYS  20           HB2      CYS  20 -16.152  18.986   6.697
  137    HB3  CYS  20           HB3      CYS  20 -17.903  18.886   6.408
  138    HG   CYS  20           HG       CYS  20 -17.203  21.312   5.832
  139    H    GLU  21           H        GLU  21 -19.546  17.540   7.907
  140    HA   GLU  21           HA       GLU  21 -21.360  19.467   9.136
  141    HB2  GLU  21           HB2      GLU  21 -21.827  18.329   6.991
  142    HB3  GLU  21           HB3      GLU  21 -21.924  16.770   7.828
  143    HG2  GLU  21           HG2      GLU  21 -23.842  17.570   9.152
  144    HG3  GLU  21           HG3      GLU  21 -23.691  19.184   8.442
  145    H    LYS  22           H        LYS  22 -20.632  15.972   9.753
  146    HA   LYS  22           HA       LYS  22 -22.370  15.612  11.952
  147    HB2  LYS  22           HB2      LYS  22 -19.748  14.322  11.103
  148    HB3  LYS  22           HB3      LYS  22 -20.628  13.725  12.494
  149    HG2  LYS  22           HG2      LYS  22 -22.095  13.923   9.853
  150    HG3  LYS  22           HG3      LYS  22 -20.900  12.652  10.085
  151    HD2  LYS  22           HD2      LYS  22 -23.030  11.748  10.635
  152    HD3  LYS  22           HD3      LYS  22 -22.066  11.863  12.113
  153    HE2  LYS  22           HE2      LYS  22 -23.309  13.888  12.797
  154    HE3  LYS  22           HE3      LYS  22 -24.198  13.886  11.262
  155    HZ1  LYS  22           HZ1      LYS  22 -25.500  12.883  13.049
  156    HZ2  LYS  22           HZ2      LYS  22 -25.183  11.755  11.913
  157    HZ3  LYS  22           HZ3      LYS  22 -24.353  11.756  13.329
  158    H    PHE  23           H        PHE  23 -18.908  16.492  11.986
  159    HA   PHE  23           HA       PHE  23 -18.909  16.649  14.909
  160    HB2  PHE  23           HB2      PHE  23 -17.163  15.653  13.057
  161    HB3  PHE  23           HB3      PHE  23 -16.463  17.237  13.302
  162    HD1  PHE  23           HD1      PHE  23 -17.762  14.212  15.107
  163    HD2  PHE  23           HD2      PHE  23 -15.035  17.549  15.199
  164    HE1  PHE  23           HE1      PHE  23 -16.687  13.270  17.128
  165    HE2  PHE  23           HE2      PHE  23 -13.927  16.590  17.191
  166    HZ   PHE  23           HZ       PHE  23 -14.755  14.450  18.181
  167    H    GLU  24           H        GLU  24 -19.574  18.914  12.528
  168    HA   GLU  24           HA       GLU  24 -19.846  21.131  12.486
  169    HB2  GLU  24           HB2      GLU  24 -19.610  21.018  15.524
  170    HB3  GLU  24           HB3      GLU  24 -20.300  22.334  14.571
  171    HG2  GLU  24           HG2      GLU  24 -22.033  20.782  13.679
  172    HG3  GLU  24           HG3      GLU  24 -21.402  19.498  14.719
  173    H    CYS  25           H        CYS  25 -17.206  20.181  12.129
  174    HA   CYS  25           HA       CYS  25 -15.411  22.366  13.085
  175    HB2  CYS  25           HB2      CYS  25 -13.616  20.716  12.610
  176    HB3  CYS  25           HB3      CYS  25 -14.833  20.043  13.694
  177    HG   CYS  25           HG       CYS  25 -14.071  18.171  11.985
  178    H    THR  26           H        THR  26 -13.486  21.771  10.909
  179    HA   THR  26           HA       THR  26 -14.881  22.656   8.444
  180    HB   THR  26           HB       THR  26 -13.031  24.222   7.930
  181    HG1  THR  26           HG1      THR  26 -11.756  24.860   9.767
  182   HG21  THR  26          HG21      THR  26 -15.146  25.063   8.954
  183   HG22  THR  26          HG22      THR  26 -14.403  24.917  10.562
  184   HG23  THR  26          HG23      THR  26 -13.730  26.045   9.364
  185    H    GLU  27           H        GLU  27 -13.935  22.062   6.536
  186    HA   GLU  27           HA       GLU  27 -12.864  19.472   6.459
  187    HB2  GLU  27           HB2      GLU  27 -12.691  21.637   4.310
  188    HB3  GLU  27           HB3      GLU  27 -12.434  19.907   4.064
  189    HG2  GLU  27           HG2      GLU  27 -14.804  19.526   4.908
  190    HG3  GLU  27           HG3      GLU  27 -15.035  21.272   4.880
  191    H    SER  28           H        SER  28 -11.099  22.583   5.984
  192    HA   SER  28           HA       SER  28  -8.539  21.490   5.555
  193    HB2  SER  28           HB2      SER  28  -9.223  24.118   6.934
  194    HB3  SER  28           HB3      SER  28  -7.701  23.706   6.126
  195    HG   SER  28           HG       SER  28  -9.081  24.934   4.759
  196    H    GLU  29           H        GLU  29 -10.206  22.069   8.681
  197    HA   GLU  29           HA       GLU  29  -7.772  21.563  10.239
  198    HB2  GLU  29           HB2      GLU  29 -10.699  21.793  11.022
  199    HB3  GLU  29           HB3      GLU  29  -9.408  21.446  12.165
  200    HG2  GLU  29           HG2      GLU  29  -9.475  23.937  10.414
  201    HG3  GLU  29           HG3      GLU  29 -10.068  23.857  12.070
  202    H    VAL  30           H        VAL  30 -10.604  19.647   9.165
  203    HA   VAL  30           HA       VAL  30  -9.875  17.212  10.532
  204    HB   VAL  30           HB       VAL  30 -11.392  17.581   7.920
  205   HG11  VAL  30          HG11      VAL  30 -11.182  15.113   9.701
  206   HG12  VAL  30          HG12      VAL  30 -12.307  15.310   8.342
  207   HG13  VAL  30          HG13      VAL  30 -10.571  15.262   8.041
  208   HG21  VAL  30          HG21      VAL  30 -12.455  17.024  10.725
  209   HG22  VAL  30          HG22      VAL  30 -12.446  18.622   9.972
  210   HG23  VAL  30          HG23      VAL  30 -13.393  17.330   9.242
  211    H    MET  31           H        MET  31  -8.992  18.499   7.293
  212    HA   MET  31           HA       MET  31  -7.271  16.312   6.567
  213    HB2  MET  31           HB2      MET  31  -7.345  19.233   5.689
  214    HB3  MET  31           HB3      MET  31  -6.294  18.012   4.968
  215    HG2  MET  31           HG2      MET  31  -8.223  16.681   4.269
  216    HG3  MET  31           HG3      MET  31  -9.326  17.782   5.092
  217    HE1  MET  31           HE1      MET  31  -7.055  18.615   1.151
  218    HE2  MET  31           HE2      MET  31  -6.179  18.470   2.687
  219    HE3  MET  31           HE3      MET  31  -7.071  17.074   2.032
  220    H    ASN  32           H        ASN  32  -6.513  19.349   8.376
  221    HA   ASN  32           HA       ASN  32  -3.740  19.181   8.206
  222    HB2  ASN  32           HB2      ASN  32  -5.674  20.517  10.017
  223    HB3  ASN  32           HB3      ASN  32  -4.111  20.200  10.759
  224   HD21  ASN  32          HD22      ASN  32  -5.641  21.747   7.905
  225   HD22  ASN  32          HD21      ASN  32  -4.304  22.859   7.616
  226    H    SER  33           H        SER  33  -5.641  17.687  10.939
  227    HA   SER  33           HA       SER  33  -3.380  16.524  12.205
  228    HB2  SER  33           HB2      SER  33  -6.185  15.354  12.152
  229    HB3  SER  33           HB3      SER  33  -4.927  15.103  13.379
  230    HG   SER  33           HG       SER  33  -6.526  16.685  13.992
  231    H    LEU  34           H        LEU  34  -5.040  15.468   9.331
  232    HA   LEU  34           HA       LEU  34  -3.833  12.763   9.381
  233    HB2  LEU  34           HB2      LEU  34  -5.971  14.129   7.690
  234    HB3  LEU  34           HB3      LEU  34  -5.422  12.483   7.400
  235    HG   LEU  34           HG       LEU  34  -6.640  13.450  10.036
  236   HD11  LEU  34          HD11      LEU  34  -8.652  12.254   9.402
  237   HD12  LEU  34          HD12      LEU  34  -8.300  13.569   8.293
  238   HD13  LEU  34          HD13      LEU  34  -7.956  11.887   7.803
  239   HD21  LEU  34          HD21      LEU  34  -5.238  11.463  10.404
  240   HD22  LEU  34          HD22      LEU  34  -6.938  10.997  10.481
  241   HD23  LEU  34          HD23      LEU  34  -6.003  10.638   9.025
  242    H    TYR  35           H        TYR  35  -3.284  15.889   8.032
  243    HA   TYR  35           HA       TYR  35  -1.394  15.010   5.974
  244    HB2  TYR  35           HB2      TYR  35  -2.700  17.117   5.819
  245    HB3  TYR  35           HB3      TYR  35  -1.885  17.729   7.251
  246    HD1  TYR  35           HD2      TYR  35  -1.525  16.898   3.673
  247    HD2  TYR  35           HD1      TYR  35   0.450  18.486   7.159
  248    HE1  TYR  35           HE2      TYR  35   0.317  17.746   2.232
  249    HE2  TYR  35           HE1      TYR  35   2.293  19.347   5.723
  250    HH   TYR  35           HH       TYR  35   2.309  18.881   2.168
  251    H    SER  36           H        SER  36  -1.224  16.228   9.360
  252    HA   SER  36           HA       SER  36   1.671  15.762   9.548
  253    HB2  SER  36           HB2      SER  36   1.334  16.127  11.953
  254    HB3  SER  36           HB3      SER  36   0.653  17.437  10.979
  255    HG   SER  36           HG       SER  36  -0.724  16.710  12.694
  256    H    GLY  37           H        GLY  37  -1.282  13.917  10.292
  257    HA2  GLY  37           HA2      GLY  37  -1.456  11.608   9.831
  258    HA3  GLY  37           HA3      GLY  37   0.305  11.422   9.978
  259    H    ASP  38           H        ASP  38  -1.806  13.003  12.372
  260    HA   ASP  38           HA       ASP  38  -1.009  10.955  14.389
  261    HB2  ASP  38           HB2      ASP  38  -0.454  13.237  14.951
  262    HB3  ASP  38           HB3      ASP  38  -2.138  13.738  14.750
  263    HA   PRO  39           HA       PRO  39  -5.324   9.633  13.751
  264    HB2  PRO  39           HB2      PRO  39  -5.194   7.147  14.846
  265    HB3  PRO  39           HB3      PRO  39  -4.422   7.543  13.278
  266    HG2  PRO  39           HG2      PRO  39  -3.137   7.479  16.027
  267    HG3  PRO  39           HG3      PRO  39  -2.568   6.673  14.527
  268    HD2  PRO  39           HD2      PRO  39  -1.598   9.093  15.323
  269    HD3  PRO  39           HD3      PRO  39  -1.848   8.709  13.592
  270    H    GLN  40           H        GLN  40  -3.752  10.492  16.678
  271    HA   GLN  40           HA       GLN  40  -5.836   9.484  18.514
  272    HB2  GLN  40           HB2      GLN  40  -3.386  11.226  18.981
  273    HB3  GLN  40           HB3      GLN  40  -4.366  10.483  20.234
  274    HG2  GLN  40           HG2      GLN  40  -3.643   8.276  19.698
  275    HG3  GLN  40           HG3      GLN  40  -2.955   8.770  18.150
  276   HE21  GLN  40          HE22      GLN  40  -1.182  10.529  18.304
  277   HE22  GLN  40          HE21      GLN  40   0.020  10.237  19.575
  278    H    ASP  41           H        ASP  41  -5.336  12.336  16.668
  279    HA   ASP  41           HA       ASP  41  -6.520  14.301  18.406
  280    HB2  ASP  41           HB2      ASP  41  -5.021  14.938  16.607
  281    HB3  ASP  41           HB3      ASP  41  -6.062  14.173  15.404
  282    H    GLN  42           H        GLN  42  -8.601  15.173  18.432
  283    HA   GLN  42           HA       GLN  42 -10.764  13.376  18.210
  284    HB2  GLN  42           HB2      GLN  42 -10.744  16.429  18.288
  285    HB3  GLN  42           HB3      GLN  42 -12.183  15.424  18.489
  286    HG2  GLN  42           HG2      GLN  42 -11.179  14.343  20.485
  287    HG3  GLN  42           HG3      GLN  42  -9.746  15.363  20.328
  288   HE21  GLN  42          HE22      GLN  42 -13.310  15.488  20.932
  289   HE22  GLN  42          HE21      GLN  42 -13.237  17.027  21.773
  290    H    LEU  43           H        LEU  43  -9.589  15.688  15.693
  291    HA   LEU  43           HA       LEU  43 -11.949  15.176  14.021
  292    HB2  LEU  43           HB2      LEU  43  -9.320  16.510  13.272
  293    HB3  LEU  43           HB3      LEU  43 -10.839  16.552  12.388
  294    HG   LEU  43           HG       LEU  43 -10.310  17.835  15.100
  295   HD11  LEU  43          HD11      LEU  43 -10.638  19.948  13.885
  296   HD12  LEU  43          HD12      LEU  43  -9.299  19.020  13.189
  297   HD13  LEU  43          HD13      LEU  43 -10.882  19.056  12.368
  298   HD21  LEU  43          HD21      LEU  43 -12.865  17.754  13.433
  299   HD22  LEU  43          HD22      LEU  43 -12.625  17.083  15.063
  300   HD23  LEU  43          HD23      LEU  43 -12.591  18.834  14.820
  301    H    ALA  44           H        ALA  44  -8.675  13.838  14.268
  302    HA   ALA  44           HA       ALA  44  -8.898  12.138  11.910
  303    HB1  ALA  44           HB1      ALA  44  -7.151  11.893  14.412
  304    HB2  ALA  44           HB2      ALA  44  -6.940  11.009  12.895
  305    HB3  ALA  44           HB3      ALA  44  -6.724  12.765  12.919
  306    H    VAL  45           H        VAL  45  -9.557  11.692  15.393
  307    HA   VAL  45           HA       VAL  45 -10.585   9.034  15.261
  308    HB   VAL  45           HB       VAL  45 -11.080  11.323  17.184
  309   HG11  VAL  45          HG11      VAL  45 -12.174   8.487  17.396
  310   HG12  VAL  45          HG12      VAL  45 -12.089   9.640  18.745
  311   HG13  VAL  45          HG13      VAL  45 -13.106  10.004  17.358
  312   HG21  VAL  45          HG21      VAL  45  -9.692   9.970  18.701
  313   HG22  VAL  45          HG22      VAL  45  -9.580   8.681  17.483
  314   HG23  VAL  45          HG23      VAL  45  -8.821  10.258  17.191
  315    H    ALA  46           H        ALA  46 -12.380  12.204  14.981
  316    HA   ALA  46           HA       ALA  46 -14.935  11.177  14.395
  317    HB1  ALA  46           HB1      ALA  46 -14.338  13.562  14.823
  318    HB2  ALA  46           HB2      ALA  46 -13.604  13.651  13.214
  319    HB3  ALA  46           HB3      ALA  46 -15.342  13.339  13.385
  320    H    TYR  47           H        TYR  47 -12.333  11.993  12.025
  321    HA   TYR  47           HA       TYR  47 -13.538  11.002   9.678
  322    HB2  TYR  47           HB2      TYR  47 -11.601  12.322   9.516
  323    HB3  TYR  47           HB3      TYR  47 -10.705  11.331  10.644
  324    HD1  TYR  47           HD2      TYR  47 -12.051  11.418   7.173
  325    HD2  TYR  47           HD1      TYR  47  -9.397   9.473   9.959
  326    HE1  TYR  47           HE2      TYR  47 -11.029  10.143   5.306
  327    HE2  TYR  47           HE1      TYR  47  -8.346   8.213   8.092
  328    HH   TYR  47           HH       TYR  47  -9.538   8.438   4.731
  329    H    HIS  48           H        HIS  48 -11.502   9.099  11.990
  330    HA   HIS  48           HA       HIS  48 -11.760   6.638  10.559
  331    HB2  HIS  48           HB2      HIS  48 -10.172   7.235  12.456
  332    HB3  HIS  48           HB3      HIS  48 -11.484   6.926  13.584
  333    HD1  HIS  48           HD1      HIS  48 -12.620   4.129  12.563
  334    HD2  HIS  48           HD2      HIS  48  -8.556   5.272  12.603
  335    HE1  HIS  48           HE1      HIS  48 -11.280   1.992  12.541
  336    H    LEU  49           H        LEU  49 -13.752   7.817  13.331
  337    HA   LEU  49           HA       LEU  49 -15.556   5.607  13.434
  338    HB2  LEU  49           HB2      LEU  49 -15.835   8.539  14.251
  339    HB3  LEU  49           HB3      LEU  49 -17.007   7.303  14.676
  340    HG   LEU  49           HG       LEU  49 -14.084   7.144  15.527
  341   HD11  LEU  49          HD11      LEU  49 -16.486   8.204  17.083
  342   HD12  LEU  49          HD12      LEU  49 -14.836   7.978  17.714
  343   HD13  LEU  49          HD13      LEU  49 -15.139   9.181  16.450
  344   HD21  LEU  49          HD21      LEU  49 -15.249   4.971  15.555
  345   HD22  LEU  49          HD22      LEU  49 -14.953   5.549  17.201
  346   HD23  LEU  49          HD23      LEU  49 -16.577   5.682  16.498
  347    H    ILE  50           H        ILE  50 -15.739   8.645  11.581
  348    HA   ILE  50           HA       ILE  50 -18.387   8.038  10.501
  349    HB   ILE  50           HB       ILE  50 -16.294  10.152   9.915
  350   HG12  ILE  50          HG12      ILE  50 -19.136  10.243  11.060
  351   HG13  ILE  50          HG13      ILE  50 -17.699  10.120  12.065
  352   HG21  ILE  50          HG21      ILE  50 -19.004   9.859   8.552
  353   HG22  ILE  50          HG22      ILE  50 -17.923  11.271   8.450
  354   HG23  ILE  50          HG23      ILE  50 -17.413   9.738   7.767
  355   HD11  ILE  50          HD11      ILE  50 -16.903  12.304  11.227
  356   HD12  ILE  50          HD12      ILE  50 -18.415  12.460  10.286
  357   HD13  ILE  50          HD13      ILE  50 -18.469  12.380  12.056
  358    H    ILE  51           H        ILE  51 -15.082   7.316   9.345
  359    HA   ILE  51           HA       ILE  51 -16.087   6.140   6.852
  360    HB   ILE  51           HB       ILE  51 -13.434   6.012   8.306
  361   HG12  ILE  51          HG12      ILE  51 -14.452   7.023   5.605
  362   HG13  ILE  51          HG13      ILE  51 -13.990   8.011   6.988
  363   HG21  ILE  51          HG21      ILE  51 -13.774   3.723   7.411
  364   HG22  ILE  51          HG22      ILE  51 -14.171   4.411   5.813
  365   HG23  ILE  51          HG23      ILE  51 -12.541   4.569   6.513
  366   HD11  ILE  51          HD11      ILE  51 -12.134   6.358   5.222
  367   HD12  ILE  51          HD12      ILE  51 -12.263   8.109   5.310
  368   HD13  ILE  51          HD13      ILE  51 -11.626   7.205   6.709
  369    H    ASP  52           H        ASP  52 -15.463   4.800  10.135
  370    HA   ASP  52           HA       ASP  52 -16.226   2.127   9.513
  371    HB2  ASP  52           HB2      ASP  52 -16.637   3.677  12.101
  372    HB3  ASP  52           HB3      ASP  52 -16.847   1.946  11.913
  373    H    ASN  53           H        ASN  53 -18.307   4.905  10.491
  374    HA   ASN  53           HA       ASN  53 -20.815   3.513  10.259
  375    HB2  ASN  53           HB2      ASN  53 -19.994   6.430  10.171
  376    HB3  ASN  53           HB3      ASN  53 -21.629   5.959   9.735
  377   HD21  ASN  53          HD22      ASN  53 -19.241   5.657  12.431
  378   HD22  ASN  53          HD21      ASN  53 -20.482   5.536  13.671
  379    H    ARG  54           H        ARG  54 -19.064   5.504   7.827
  380    HA   ARG  54           HA       ARG  54 -20.862   5.240   5.685
  381    HB2  ARG  54           HB2      ARG  54 -19.048   6.857   5.859
  382    HB3  ARG  54           HB3      ARG  54 -17.848   5.564   5.759
  383    HG2  ARG  54           HG2      ARG  54 -18.448   5.121   3.429
  384    HG3  ARG  54           HG3      ARG  54 -19.719   6.364   3.505
  385    HD2  ARG  54           HD2      ARG  54 -18.074   8.113   3.902
  386    HD3  ARG  54           HD3      ARG  54 -16.794   6.925   4.152
  387    HE   ARG  54           HE       ARG  54 -18.173   7.466   1.525
  388   HH11  ARG  54          HH11      ARG  54 -15.079   6.566   3.116
  389   HH12  ARG  54          HH12      ARG  54 -14.241   6.848   1.601
  390   HH21  ARG  54          HH21      ARG  54 -17.022   7.676  -0.207
  391   HH22  ARG  54          HH22      ARG  54 -15.261   7.465  -0.198
  392    H    ARG  55           H        ARG  55 -18.170   3.080   6.562
  393    HA   ARG  55           HA       ARG  55 -18.655   1.267   4.305
  394    HB2  ARG  55           HB2      ARG  55 -16.744   1.164   6.668
  395    HB3  ARG  55           HB3      ARG  55 -16.846  -0.087   5.425
  396    HG2  ARG  55           HG2      ARG  55 -16.331   1.585   3.671
  397    HG3  ARG  55           HG3      ARG  55 -16.161   2.841   4.911
  398    HD2  ARG  55           HD2      ARG  55 -14.324   1.595   5.963
  399    HD3  ARG  55           HD3      ARG  55 -14.509   0.277   4.809
  400    HE   ARG  55           HE       ARG  55 -13.168   2.830   4.397
  401   HH11  ARG  55          HH11      ARG  55 -14.685   0.162   2.631
  402   HH12  ARG  55          HH12      ARG  55 -13.803   0.506   1.175
  403   HH21  ARG  55          HH21      ARG  55 -12.058   3.209   2.486
  404   HH22  ARG  55          HH22      ARG  55 -12.341   2.205   1.099
  405    H    ILE  56           H        ILE  56 -18.930   0.857   7.892
  406    HA   ILE  56           HA       ILE  56 -19.978  -1.877   7.532
  407    HB   ILE  56           HB       ILE  56 -19.513  -0.284  10.090
  408   HG12  ILE  56          HG12      ILE  56 -17.641  -2.275   8.720
  409   HG13  ILE  56          HG13      ILE  56 -17.415  -0.531   8.723
  410   HG21  ILE  56          HG21      ILE  56 -19.817  -3.286   9.646
  411   HG22  ILE  56          HG22      ILE  56 -19.496  -2.486  11.197
  412   HG23  ILE  56          HG23      ILE  56 -21.025  -2.217  10.392
  413   HD11  ILE  56          HD11      ILE  56 -17.270  -0.561  11.222
  414   HD12  ILE  56          HD12      ILE  56 -17.252  -2.343  11.142
  415   HD13  ILE  56          HD13      ILE  56 -15.963  -1.412  10.375
  416    H    MET  57           H        MET  57 -21.247   1.226   8.687
  417    HA   MET  57           HA       MET  57 -23.958   0.035   9.114
  418    HB2  MET  57           HB2      MET  57 -22.873   2.706  10.089
  419    HB3  MET  57           HB3      MET  57 -24.405   1.948  10.528
  420    HG2  MET  57           HG2      MET  57 -23.174   0.054  11.562
  421    HG3  MET  57           HG3      MET  57 -21.644   0.846  11.184
  422    HE1  MET  57           HE1      MET  57 -22.297  -0.183  14.038
  423    HE2  MET  57           HE2      MET  57 -20.799   0.681  13.621
  424    HE3  MET  57           HE3      MET  57 -21.750   1.179  15.036
  425    H    ASN  58           H        ASN  58 -22.990   0.512   6.475
  426    HA   ASN  58           HA       ASN  58 -23.430   2.993   5.342
  427    HB2  ASN  58           HB2      ASN  58 -22.272   1.062   4.293
  428    HB3  ASN  58           HB3      ASN  58 -23.823   0.266   4.042
  429   HD21  ASN  58          HD22      ASN  58 -21.790   3.025   3.072
  430   HD22  ASN  58          HD21      ASN  58 -22.683   3.377   1.592
  431    H    GLN  59           H        GLN  59 -25.112   4.201   4.707
  432    HA   GLN  59           HA       GLN  59 -27.814   3.053   4.258
  433    HB2  GLN  59           HB2      GLN  59 -27.628   3.728   6.662
  434    HB3  GLN  59           HB3      GLN  59 -27.207   5.370   6.159
  435    HG2  GLN  59           HG2      GLN  59 -29.439   5.642   5.122
  436    HG3  GLN  59           HG3      GLN  59 -29.829   3.953   5.486
  437   HE21  GLN  59          HE22      GLN  59 -29.015   7.107   7.072
  438   HE22  GLN  59          HE21      GLN  59 -29.912   6.734   8.539
  439    H    ALA  60           H        ALA  60 -29.124   4.307   2.873
  440    HA   ALA  60           HA       ALA  60 -28.119   6.798   1.681
  441    HB1  ALA  60           HB1      ALA  60 -28.497   4.242   0.047
  442    HB2  ALA  60           HB2      ALA  60 -28.111   5.847  -0.609
  443    HB3  ALA  60           HB3      ALA  60 -26.937   5.006   0.416
  444    H    SER  61           H        SER  61 -29.687   7.605  -0.022
  445    HA   SER  61           HA       SER  61 -32.367   7.617   1.082
  446    HB2  SER  61           HB2      SER  61 -31.306   8.864  -1.479
  447    HB3  SER  61           HB3      SER  61 -32.803   9.294  -0.634
  448    HG   SER  61           HG       SER  61 -31.091  10.734  -0.129
  449    H    GLU  62           H        GLU  62 -30.995   5.474  -1.150
  450    HA   GLU  62           HA       GLU  62 -33.201   5.131  -3.018
  451    HB2  GLU  62           HB2      GLU  62 -30.793   3.374  -2.395
  452    HB3  GLU  62           HB3      GLU  62 -31.939   3.086  -3.700
  453    HG2  GLU  62           HG2      GLU  62 -30.153   5.556  -3.437
  454    HG3  GLU  62           HG3      GLU  62 -29.836   4.166  -4.460
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -1.534  15.912 -14.497
    2    H2   GLY   1           H2       GLY   1  -1.370  15.012 -13.138
    3    H3   GLY   1           H3       GLY   1  -2.795  15.022 -13.954
    4    HA2  GLY   1           HA2      GLY   1  -1.594  17.364 -12.601
    5    HA3  GLY   1           HA3      GLY   1  -3.154  17.346 -13.440
    6    HA   PRO   2           HA       PRO   2  -3.783  16.975  -8.851
    7    HB2  PRO   2           HB2      PRO   2  -6.387  18.212  -9.777
    8    HB3  PRO   2           HB3      PRO   2  -5.446  18.549  -8.289
    9    HG2  PRO   2           HG2      PRO   2  -5.253  20.226 -10.387
   10    HG3  PRO   2           HG3      PRO   2  -3.756  19.712  -9.542
   11    HD2  PRO   2           HD2      PRO   2  -4.914  18.642 -12.124
   12    HD3  PRO   2           HD3      PRO   2  -3.223  19.074 -11.732
   13    H    HIS   3           H        HIS   3  -5.864  15.710 -11.447
   14    HA   HIS   3           HA       HIS   3  -7.597  14.080  -9.913
   15    HB2  HIS   3           HB2      HIS   3  -7.901  12.870 -12.023
   16    HB3  HIS   3           HB3      HIS   3  -7.907  14.603 -12.290
   17    HD1  HIS   3           HD1      HIS   3  -5.768  11.497 -13.028
   18    HD2  HIS   3           HD2      HIS   3  -5.911  15.634 -13.800
   19    HE1  HIS   3           HE1      HIS   3  -3.973  11.962 -14.776
   20    H    MET   4           H        MET   4  -4.170  13.683 -10.290
   21    HA   MET   4           HA       MET   4  -4.122  10.769  -9.919
   22    HB2  MET   4           HB2      MET   4  -1.941  12.890  -9.797
   23    HB3  MET   4           HB3      MET   4  -1.666  11.158  -9.582
   24    HG2  MET   4           HG2      MET   4  -2.623  10.715 -11.828
   25    HG3  MET   4           HG3      MET   4  -2.837  12.453 -12.074
   26    HE1  MET   4           HE1      MET   4  -1.542  12.016 -14.416
   27    HE2  MET   4           HE2      MET   4   0.087  11.328 -14.511
   28    HE3  MET   4           HE3      MET   4  -1.270  10.314 -13.978
   29    H    SER   5           H        SER   5  -3.695   9.622  -8.068
   30    HA   SER   5           HA       SER   5  -4.417  10.790  -5.525
   31    HB2  SER   5           HB2      SER   5  -3.172   8.091  -6.173
   32    HB3  SER   5           HB3      SER   5  -3.902   8.550  -4.626
   33    HG   SER   5           HG       SER   5  -5.364   7.389  -5.988
   34    H    TYR   6           H        TYR   6  -3.191  11.306  -3.719
   35    HA   TYR   6           HA       TYR   6  -0.432  12.037  -3.979
   36    HB2  TYR   6           HB2      TYR   6  -1.998  13.119  -2.448
   37    HB3  TYR   6           HB3      TYR   6  -2.242  11.609  -1.580
   38    HD1  TYR   6           HD2      TYR   6   0.345  14.194  -2.418
   39    HD2  TYR   6           HD1      TYR   6  -0.826  10.992   0.227
   40    HE1  TYR   6           HE2      TYR   6   2.217  14.778  -0.880
   41    HE2  TYR   6           HE1      TYR   6   1.050  11.568   1.759
   42    HH   TYR   6           HH       TYR   6   2.833  12.957   2.143
   43    H    ASP   7           H        ASP   7  -2.007   9.179  -2.608
   44    HA   ASP   7           HA       ASP   7   0.252   7.402  -2.772
   45    HB2  ASP   7           HB2      ASP   7   0.952   8.792  -0.792
   46    HB3  ASP   7           HB3      ASP   7  -0.572   8.396  -0.005
   47    H    ALA   8           H        ALA   8  -0.389   5.200  -1.934
   48    HA   ALA   8           HA       ALA   8  -3.055   4.406  -2.457
   49    HB1  ALA   8           HB1      ALA   8  -2.362   2.296  -1.362
   50    HB2  ALA   8           HB2      ALA   8  -1.085   2.902  -2.434
   51    HB3  ALA   8           HB3      ALA   8  -0.940   3.105  -0.672
   52    H    ASN   9           H        ASN   9  -1.693   5.716   0.521
   53    HA   ASN   9           HA       ASN   9  -4.116   5.149   2.104
   54    HB2  ASN   9           HB2      ASN   9  -1.515   6.562   2.815
   55    HB3  ASN   9           HB3      ASN   9  -2.798   6.153   3.944
   56   HD21  ASN   9          HD22      ASN   9  -0.172   4.837   2.000
   57   HD22  ASN   9          HD21      ASN   9  -0.178   3.244   2.771
   58    H    VAL  10           H        VAL  10  -3.811   7.364  -0.240
   59    HA   VAL  10           HA       VAL  10  -4.173   9.895   0.858
   60    HB   VAL  10           HB       VAL  10  -3.841   9.466  -1.524
   61   HG11  VAL  10          HG11      VAL  10  -6.815   8.820  -1.712
   62   HG12  VAL  10          HG12      VAL  10  -5.660   8.939  -3.049
   63   HG13  VAL  10          HG13      VAL  10  -5.510   7.625  -1.870
   64   HG21  VAL  10          HG21      VAL  10  -6.277  11.208  -1.084
   65   HG22  VAL  10          HG22      VAL  10  -4.601  11.678  -0.726
   66   HG23  VAL  10          HG23      VAL  10  -5.086  11.319  -2.391
   67    H    ILE  11           H        ILE  11  -5.814  11.179   1.538
   68    HA   ILE  11           HA       ILE  11  -7.956   9.877   2.962
   69    HB   ILE  11           HB       ILE  11  -6.488  12.284   3.169
   70   HG12  ILE  11          HG12      ILE  11  -7.721  12.678   5.237
   71   HG13  ILE  11          HG13      ILE  11  -8.909  11.464   4.788
   72   HG21  ILE  11          HG21      ILE  11  -8.074  14.098   3.340
   73   HG22  ILE  11          HG22      ILE  11  -8.083  13.464   1.693
   74   HG23  ILE  11          HG23      ILE  11  -9.408  13.055   2.816
   75   HD11  ILE  11          HD11      ILE  11  -7.117   9.705   4.884
   76   HD12  ILE  11          HD12      ILE  11  -5.922  10.974   5.250
   77   HD13  ILE  11          HD13      ILE  11  -7.218  10.595   6.395
   78    H    ASP  12           H        ASP  12 -10.222  10.131   2.858
   79    HA   ASP  12           HA       ASP  12 -11.186  10.518   0.082
   80    HB2  ASP  12           HB2      ASP  12 -11.743   8.468   1.598
   81    HB3  ASP  12           HB3      ASP  12 -12.951   9.553   2.311
   82    H    ASP  13           H        ASP  13 -11.939  12.398  -0.516
   83    HA   ASP  13           HA       ASP  13 -12.590  14.629   1.089
   84    HB2  ASP  13           HB2      ASP  13 -12.011  14.692  -1.311
   85    HB3  ASP  13           HB3      ASP  13 -13.528  13.885  -1.707
   86    H    GLU  14           H        GLU  14 -14.644  11.872   0.127
   87    HA   GLU  14           HA       GLU  14 -17.149  13.187   0.792
   88    HB2  GLU  14           HB2      GLU  14 -16.942  11.287  -0.808
   89    HB3  GLU  14           HB3      GLU  14 -16.551  10.224   0.557
   90    HG2  GLU  14           HG2      GLU  14 -18.758  10.645   1.553
   91    HG3  GLU  14           HG3      GLU  14 -19.131  11.830   0.291
   92    H    ALA  15           H        ALA  15 -15.013  10.875   2.526
   93    HA   ALA  15           HA       ALA  15 -16.606  10.883   4.950
   94    HB1  ALA  15           HB1      ALA  15 -14.592   9.832   5.947
   95    HB2  ALA  15           HB2      ALA  15 -15.067   9.070   4.413
   96    HB3  ALA  15           HB3      ALA  15 -13.681  10.180   4.463
   97    H    VAL  16           H        VAL  16 -13.699  12.765   3.933
   98    HA   VAL  16           HA       VAL  16 -13.438  14.362   6.263
   99    HB   VAL  16           HB       VAL  16 -12.801  14.800   3.344
  100   HG11  VAL  16          HG11      VAL  16 -13.297  17.051   4.042
  101   HG12  VAL  16          HG12      VAL  16 -12.311  16.869   5.519
  102   HG13  VAL  16          HG13      VAL  16 -11.561  16.863   3.898
  103   HG21  VAL  16          HG21      VAL  16 -11.063  14.608   5.848
  104   HG22  VAL  16          HG22      VAL  16 -11.374  13.289   4.708
  105   HG23  VAL  16          HG23      VAL  16 -10.486  14.720   4.171
  106    H    LYS  17           H        LYS  17 -15.452  15.147   3.328
  107    HA   LYS  17           HA       LYS  17 -16.781  17.389   4.417
  108    HB2  LYS  17           HB2      LYS  17 -16.724  16.647   2.055
  109    HB3  LYS  17           HB3      LYS  17 -17.821  15.313   2.442
  110    HG2  LYS  17           HG2      LYS  17 -19.547  16.980   3.147
  111    HG3  LYS  17           HG3      LYS  17 -18.442  18.294   2.721
  112    HD2  LYS  17           HD2      LYS  17 -19.543  16.185   0.804
  113    HD3  LYS  17           HD3      LYS  17 -20.141  17.843   0.968
  114    HE2  LYS  17           HE2      LYS  17 -17.892  18.713   0.288
  115    HE3  LYS  17           HE3      LYS  17 -17.326  17.053   0.064
  116    HZ1  LYS  17           HZ1      LYS  17 -19.533  18.323  -1.457
  117    HZ2  LYS  17           HZ2      LYS  17 -18.036  18.008  -2.029
  118    HZ3  LYS  17           HZ3      LYS  17 -19.039  16.773  -1.650
  119    H    GLU  18           H        GLU  18 -17.726  13.893   4.729
  120    HA   GLU  18           HA       GLU  18 -20.052  14.460   6.293
  121    HB2  GLU  18           HB2      GLU  18 -19.529  12.304   5.151
  122    HB3  GLU  18           HB3      GLU  18 -18.379  11.930   6.446
  123    HG2  GLU  18           HG2      GLU  18 -20.162  12.012   8.111
  124    HG3  GLU  18           HG3      GLU  18 -21.326  12.575   6.904
  125    H    VAL  19           H        VAL  19 -16.639  13.908   7.398
  126    HA   VAL  19           HA       VAL  19 -17.181  14.274  10.185
  127    HB   VAL  19           HB       VAL  19 -14.708  15.220   8.710
  128   HG11  VAL  19          HG11      VAL  19 -14.831  16.205  10.967
  129   HG12  VAL  19          HG12      VAL  19 -15.221  14.629  11.660
  130   HG13  VAL  19          HG13      VAL  19 -13.614  14.920  10.970
  131   HG21  VAL  19          HG21      VAL  19 -13.645  13.169   9.173
  132   HG22  VAL  19          HG22      VAL  19 -14.929  12.629  10.271
  133   HG23  VAL  19          HG23      VAL  19 -15.207  12.677   8.534
  134    H    CYS  20           H        CYS  20 -16.558  16.741   7.640
  135    HA   CYS  20           HA       CYS  20 -16.736  18.993   9.348
  136    HB2  CYS  20           HB2      CYS  20 -15.882  18.957   6.996
  137    HB3  CYS  20           HB3      CYS  20 -17.559  18.810   6.407
  138    HG   CYS  20           HG       CYS  20 -16.516  21.113   8.529
  139    H    GLU  21           H        GLU  21 -19.329  17.184   7.706
  140    HA   GLU  21           HA       GLU  21 -21.472  18.896   8.550
  141    HB2  GLU  21           HB2      GLU  21 -21.516  17.400   6.568
  142    HB3  GLU  21           HB3      GLU  21 -21.545  15.994   7.639
  143    HG2  GLU  21           HG2      GLU  21 -23.712  16.704   8.565
  144    HG3  GLU  21           HG3      GLU  21 -23.647  18.201   7.627
  145    H    LYS  22           H        LYS  22 -20.494  15.607   9.791
  146    HA   LYS  22           HA       LYS  22 -22.481  15.657  11.892
  147    HB2  LYS  22           HB2      LYS  22 -20.000  13.933  11.479
  148    HB3  LYS  22           HB3      LYS  22 -21.208  13.671  12.735
  149    HG2  LYS  22           HG2      LYS  22 -22.944  13.473  10.811
  150    HG3  LYS  22           HG3      LYS  22 -21.554  13.386   9.729
  151    HD2  LYS  22           HD2      LYS  22 -22.149  11.140  10.167
  152    HD3  LYS  22           HD3      LYS  22 -20.683  11.463  11.085
  153    HE2  LYS  22           HE2      LYS  22 -22.123  10.158  12.474
  154    HE3  LYS  22           HE3      LYS  22 -22.072  11.784  13.156
  155    HZ1  LYS  22           HZ1      LYS  22 -24.269  10.702  11.455
  156    HZ2  LYS  22           HZ2      LYS  22 -24.334  10.880  13.074
  157    HZ3  LYS  22           HZ3      LYS  22 -24.246  12.202  12.119
  158    H    PHE  23           H        PHE  23 -18.930  16.172  11.953
  159    HA   PHE  23           HA       PHE  23 -18.925  16.573  14.841
  160    HB2  PHE  23           HB2      PHE  23 -17.198  15.433  13.061
  161    HB3  PHE  23           HB3      PHE  23 -16.461  17.017  13.206
  162    HD1  PHE  23           HD1      PHE  23 -17.742  14.075  15.137
  163    HD2  PHE  23           HD2      PHE  23 -15.098  17.485  15.149
  164    HE1  PHE  23           HE1      PHE  23 -16.693  13.249  17.219
  165    HE2  PHE  23           HE2      PHE  23 -14.046  16.662  17.232
  166    HZ   PHE  23           HZ       PHE  23 -14.833  14.540  18.281
  167    H    GLU  24           H        GLU  24 -19.400  18.702  12.251
  168    HA   GLU  24           HA       GLU  24 -19.664  20.909  12.086
  169    HB2  GLU  24           HB2      GLU  24 -19.747  20.902  15.132
  170    HB3  GLU  24           HB3      GLU  24 -20.346  22.172  14.066
  171    HG2  GLU  24           HG2      GLU  24 -21.955  20.555  13.051
  172    HG3  GLU  24           HG3      GLU  24 -21.435  19.338  14.226
  173    H    CYS  25           H        CYS  25 -16.950  19.985  12.132
  174    HA   CYS  25           HA       CYS  25 -15.446  22.486  12.854
  175    HB2  CYS  25           HB2      CYS  25 -14.500  19.572  12.847
  176    HB3  CYS  25           HB3      CYS  25 -13.447  20.971  13.099
  177    HG   CYS  25           HG       CYS  25 -16.167  20.173  14.843
  178    H    THR  26           H        THR  26 -13.679  23.052  11.274
  179    HA   THR  26           HA       THR  26 -14.806  22.865   8.628
  180    HB   THR  26           HB       THR  26 -12.859  24.175   7.866
  181    HG1  THR  26           HG1      THR  26 -11.520  24.959   9.621
  182   HG21  THR  26          HG21      THR  26 -14.889  25.293   8.794
  183   HG22  THR  26          HG22      THR  26 -14.157  25.268  10.413
  184   HG23  THR  26          HG23      THR  26 -13.411  26.213   9.105
  185    H    GLU  27           H        GLU  27 -14.183  21.891   6.816
  186    HA   GLU  27           HA       GLU  27 -13.125  19.283   7.025
  187    HB2  GLU  27           HB2      GLU  27 -13.453  19.104   4.719
  188    HB3  GLU  27           HB3      GLU  27 -14.723  20.156   5.294
  189    HG2  GLU  27           HG2      GLU  27 -12.238  20.929   3.722
  190    HG3  GLU  27           HG3      GLU  27 -13.888  20.869   3.143
  191    H    SER  28           H        SER  28 -11.537  22.283   5.970
  192    HA   SER  28           HA       SER  28  -8.972  21.271   5.354
  193    HB2  SER  28           HB2      SER  28  -9.739  23.934   6.626
  194    HB3  SER  28           HB3      SER  28  -8.221  23.577   5.789
  195    HG   SER  28           HG       SER  28 -10.864  23.551   4.647
  196    H    GLU  29           H        GLU  29 -10.353  21.962   8.624
  197    HA   GLU  29           HA       GLU  29  -7.741  21.517   9.909
  198    HB2  GLU  29           HB2      GLU  29 -10.551  21.841  11.000
  199    HB3  GLU  29           HB3      GLU  29  -9.159  21.467  12.012
  200    HG2  GLU  29           HG2      GLU  29  -9.284  23.924  10.218
  201    HG3  GLU  29           HG3      GLU  29  -9.771  23.905  11.910
  202    H    VAL  30           H        VAL  30 -10.707  19.647   9.245
  203    HA   VAL  30           HA       VAL  30  -9.949  17.224  10.557
  204    HB   VAL  30           HB       VAL  30 -11.534  17.543   7.976
  205   HG11  VAL  30          HG11      VAL  30 -10.719  15.228   8.157
  206   HG12  VAL  30          HG12      VAL  30 -11.326  15.134   9.824
  207   HG13  VAL  30          HG13      VAL  30 -12.448  15.308   8.453
  208   HG21  VAL  30          HG21      VAL  30 -12.543  18.682   9.975
  209   HG22  VAL  30          HG22      VAL  30 -13.514  17.357   9.345
  210   HG23  VAL  30          HG23      VAL  30 -12.536  17.139  10.822
  211    H    MET  31           H        MET  31  -9.257  18.303   7.176
  212    HA   MET  31           HA       MET  31  -7.556  16.077   6.526
  213    HB2  MET  31           HB2      MET  31  -7.698  18.905   5.404
  214    HB3  MET  31           HB3      MET  31  -6.663  17.619   4.744
  215    HG2  MET  31           HG2      MET  31  -8.665  16.163   4.479
  216    HG3  MET  31           HG3      MET  31  -9.689  17.506   4.984
  217    HE1  MET  31           HE1      MET  31  -9.525  19.988   2.030
  218    HE2  MET  31           HE2      MET  31 -10.175  19.602   3.640
  219    HE3  MET  31           HE3      MET  31  -8.459  20.058   3.443
  220    H    ASN  32           H        ASN  32  -6.703  19.280   7.991
  221    HA   ASN  32           HA       ASN  32  -3.907  18.885   7.945
  222    HB2  ASN  32           HB2      ASN  32  -5.770  20.554   9.592
  223    HB3  ASN  32           HB3      ASN  32  -4.163  20.278  10.248
  224   HD21  ASN  32          HD22      ASN  32  -5.875  21.586   7.384
  225   HD22  ASN  32          HD21      ASN  32  -4.509  22.562   6.845
  226    H    SER  33           H        SER  33  -6.152  17.866  10.664
  227    HA   SER  33           HA       SER  33  -4.065  16.662  12.173
  228    HB2  SER  33           HB2      SER  33  -6.964  15.766  12.078
  229    HB3  SER  33           HB3      SER  33  -5.757  15.375  13.320
  230    HG   SER  33           HG       SER  33  -6.980  17.104  14.047
  231    H    LEU  34           H        LEU  34  -5.605  15.431   9.284
  232    HA   LEU  34           HA       LEU  34  -4.640  12.656   9.696
  233    HB2  LEU  34           HB2      LEU  34  -6.236  14.070   7.516
  234    HB3  LEU  34           HB3      LEU  34  -5.823  12.363   7.467
  235    HG   LEU  34           HG       LEU  34  -7.409  13.570   9.784
  236   HD11  LEU  34          HD11      LEU  34  -8.640  12.166   7.394
  237   HD12  LEU  34          HD12      LEU  34  -9.446  12.983   8.747
  238   HD13  LEU  34          HD13      LEU  34  -8.562  13.931   7.551
  239   HD21  LEU  34          HD21      LEU  34  -7.089  10.712   8.764
  240   HD22  LEU  34          HD22      LEU  34  -6.393  11.381  10.256
  241   HD23  LEU  34          HD23      LEU  34  -8.145  11.215  10.092
  242    H    TYR  35           H        TYR  35  -3.619  15.578   8.080
  243    HA   TYR  35           HA       TYR  35  -1.708  14.093   6.333
  244    HB2  TYR  35           HB2      TYR  35  -3.381  15.684   5.394
  245    HB3  TYR  35           HB3      TYR  35  -2.641  16.986   6.306
  246    HD1  TYR  35           HD1      TYR  35  -2.017  14.429   3.647
  247    HD2  TYR  35           HD2      TYR  35  -0.739  18.148   5.416
  248    HE1  TYR  35           HE1      TYR  35  -0.456  14.796   1.743
  249    HE2  TYR  35           HE2      TYR  35   0.825  18.518   3.524
  250    HH   TYR  35           HH       TYR  35   1.646  17.700   1.541
  251    H    SER  36           H        SER  36  -1.716  16.578   8.889
  252    HA   SER  36           HA       SER  36   1.269  16.392   9.105
  253    HB2  SER  36           HB2      SER  36   0.533  18.274   7.578
  254    HB3  SER  36           HB3      SER  36  -0.266  19.016   8.972
  255    HG   SER  36           HG       SER  36   1.873  18.912  10.011
  256    H    GLY  37           H        GLY  37  -1.685  16.396  10.839
  257    HA2  GLY  37           HA2      GLY  37  -0.437  17.261  13.403
  258    HA3  GLY  37           HA3      GLY  37  -2.121  16.793  13.140
  259    H    ASP  38           H        ASP  38  -2.550  15.001  14.256
  260    HA   ASP  38           HA       ASP  38  -0.864  12.614  13.892
  261    HB2  ASP  38           HB2      ASP  38  -0.059  13.749  15.940
  262    HB3  ASP  38           HB3      ASP  38  -1.682  13.656  16.626
  263    HA   PRO  39           HA       PRO  39  -4.893  10.797  13.265
  264    HB2  PRO  39           HB2      PRO  39  -3.579   8.350  14.471
  265    HB3  PRO  39           HB3      PRO  39  -4.648   8.463  13.033
  266    HG2  PRO  39           HG2      PRO  39  -1.972   8.333  12.704
  267    HG3  PRO  39           HG3      PRO  39  -2.923   9.519  11.754
  268    HD2  PRO  39           HD2      PRO  39  -1.291   9.985  14.263
  269    HD3  PRO  39           HD3      PRO  39  -1.385  10.962  12.768
  270    H    GLN  40           H        GLN  40  -3.573  11.008  16.471
  271    HA   GLN  40           HA       GLN  40  -5.907   9.777  17.829
  272    HB2  GLN  40           HB2      GLN  40  -3.367  11.088  18.863
  273    HB3  GLN  40           HB3      GLN  40  -4.584  10.325  19.879
  274    HG2  GLN  40           HG2      GLN  40  -4.143   8.135  19.010
  275    HG3  GLN  40           HG3      GLN  40  -3.153   8.757  17.686
  276   HE21  GLN  40          HE22      GLN  40  -1.155  10.026  18.341
  277   HE22  GLN  40          HE21      GLN  40  -0.259   9.407  19.742
  278    H    ASP  41           H        ASP  41  -5.189  12.818  16.522
  279    HA   ASP  41           HA       ASP  41  -6.463  14.597  18.403
  280    HB2  ASP  41           HB2      ASP  41  -4.992  15.383  16.613
  281    HB3  ASP  41           HB3      ASP  41  -6.063  14.684  15.396
  282    H    GLN  42           H        GLN  42  -8.571  15.333  18.498
  283    HA   GLN  42           HA       GLN  42 -10.668  13.509  18.216
  284    HB2  GLN  42           HB2      GLN  42 -10.685  16.566  18.376
  285    HB3  GLN  42           HB3      GLN  42 -12.136  15.579  18.415
  286    HG2  GLN  42           HG2      GLN  42 -11.659  16.055  20.665
  287    HG3  GLN  42           HG3      GLN  42 -11.263  14.362  20.421
  288   HE21  GLN  42          HE22      GLN  42 -10.074  14.778  22.559
  289   HE22  GLN  42          HE21      GLN  42  -8.444  15.422  22.434
  290    H    LEU  43           H        LEU  43  -9.602  15.883  15.699
  291    HA   LEU  43           HA       LEU  43 -11.976  15.341  14.067
  292    HB2  LEU  43           HB2      LEU  43  -9.363  16.650  13.226
  293    HB3  LEU  43           HB3      LEU  43 -10.922  16.725  12.419
  294    HG   LEU  43           HG       LEU  43 -10.201  18.006  15.084
  295   HD11  LEU  43          HD11      LEU  43 -10.581  20.110  13.869
  296   HD12  LEU  43          HD12      LEU  43  -9.325  19.142  13.077
  297   HD13  LEU  43          HD13      LEU  43 -10.961  19.209  12.384
  298   HD21  LEU  43          HD21      LEU  43 -12.878  17.982  13.620
  299   HD22  LEU  43          HD22      LEU  43 -12.537  17.267  15.213
  300   HD23  LEU  43          HD23      LEU  43 -12.466  19.015  15.013
  301    H    ALA  44           H        ALA  44  -8.708  14.013  14.263
  302    HA   ALA  44           HA       ALA  44  -9.000  12.372  11.852
  303    HB1  ALA  44           HB1      ALA  44  -6.781  13.086  12.594
  304    HB2  ALA  44           HB2      ALA  44  -7.009  12.291  14.169
  305    HB3  ALA  44           HB3      ALA  44  -6.924  11.322  12.680
  306    H    VAL  45           H        VAL  45  -9.390  11.884  15.366
  307    HA   VAL  45           HA       VAL  45 -10.284   9.164  15.264
  308    HB   VAL  45           HB       VAL  45 -10.847  11.405  17.234
  309   HG11  VAL  45          HG11      VAL  45 -11.653   9.628  18.804
  310   HG12  VAL  45          HG12      VAL  45 -12.749   9.885  17.455
  311   HG13  VAL  45          HG13      VAL  45 -11.669   8.472  17.454
  312   HG21  VAL  45          HG21      VAL  45  -9.120   8.892  17.417
  313   HG22  VAL  45          HG22      VAL  45  -8.508  10.528  17.120
  314   HG23  VAL  45          HG23      VAL  45  -9.281  10.143  18.660
  315    H    ALA  46           H        ALA  46 -12.207  12.249  15.035
  316    HA   ALA  46           HA       ALA  46 -14.732  11.099  14.503
  317    HB1  ALA  46           HB1      ALA  46 -15.269  13.221  13.508
  318    HB2  ALA  46           HB2      ALA  46 -14.267  13.502  14.940
  319    HB3  ALA  46           HB3      ALA  46 -13.554  13.642  13.320
  320    H    TYR  47           H        TYR  47 -12.155  11.944  12.074
  321    HA   TYR  47           HA       TYR  47 -13.482  10.869   9.817
  322    HB2  TYR  47           HB2      TYR  47 -11.506  12.282   9.676
  323    HB3  TYR  47           HB3      TYR  47 -10.520  11.051  10.443
  324    HD1  TYR  47           HD1      TYR  47 -12.263  12.009   7.316
  325    HD2  TYR  47           HD2      TYR  47  -9.732   9.091   9.237
  326    HE1  TYR  47           HE1      TYR  47 -11.693  11.029   5.100
  327    HE2  TYR  47           HE2      TYR  47  -9.184   8.102   7.029
  328    HH   TYR  47           HH       TYR  47  -9.554   8.185   4.765
  329    H    HIS  48           H        HIS  48 -11.247   9.106  12.043
  330    HA   HIS  48           HA       HIS  48 -11.419   6.578  10.740
  331    HB2  HIS  48           HB2      HIS  48  -9.795   7.143  12.493
  332    HB3  HIS  48           HB3      HIS  48 -11.075   7.278  13.691
  333    HD1  HIS  48           HD1      HIS  48  -9.137   4.597  11.727
  334    HD2  HIS  48           HD2      HIS  48 -12.064   5.008  14.730
  335    HE1  HIS  48           HE1      HIS  48  -9.428   2.290  12.763
  336    H    LEU  49           H        LEU  49 -13.529   7.856  13.366
  337    HA   LEU  49           HA       LEU  49 -15.323   5.604  13.470
  338    HB2  LEU  49           HB2      LEU  49 -15.630   8.548  14.227
  339    HB3  LEU  49           HB3      LEU  49 -16.809   7.314  14.633
  340    HG   LEU  49           HG       LEU  49 -13.907   7.149  15.568
  341   HD11  LEU  49          HD11      LEU  49 -16.309   8.317  17.037
  342   HD12  LEU  49          HD12      LEU  49 -14.690   8.058  17.717
  343   HD13  LEU  49          HD13      LEU  49 -14.920   9.237  16.418
  344   HD21  LEU  49          HD21      LEU  49 -14.831   5.616  17.260
  345   HD22  LEU  49          HD22      LEU  49 -16.447   5.780  16.548
  346   HD23  LEU  49          HD23      LEU  49 -15.132   5.013  15.625
  347    H    ILE  50           H        ILE  50 -15.405   8.613  11.556
  348    HA   ILE  50           HA       ILE  50 -18.019   8.026  10.435
  349    HB   ILE  50           HB       ILE  50 -15.947  10.175  10.003
  350   HG12  ILE  50          HG12      ILE  50 -18.863  10.056  10.943
  351   HG13  ILE  50          HG13      ILE  50 -17.475  10.072  12.018
  352   HG21  ILE  50          HG21      ILE  50 -17.428  11.312   8.433
  353   HG22  ILE  50          HG22      ILE  50 -16.858   9.797   7.749
  354   HG23  ILE  50          HG23      ILE  50 -18.510   9.901   8.395
  355   HD11  ILE  50          HD11      ILE  50 -16.872  12.326  11.245
  356   HD12  ILE  50          HD12      ILE  50 -18.329  12.348  10.204
  357   HD13  ILE  50          HD13      ILE  50 -18.474  12.246  11.972
  358    H    ILE  51           H        ILE  51 -14.747   7.340   9.266
  359    HA   ILE  51           HA       ILE  51 -15.590   6.253   6.694
  360    HB   ILE  51           HB       ILE  51 -13.239   5.792   8.571
  361   HG12  ILE  51          HG12      ILE  51 -13.387   7.919   7.183
  362   HG13  ILE  51          HG13      ILE  51 -11.918   6.971   7.037
  363   HG21  ILE  51          HG21      ILE  51 -13.475   3.622   7.592
  364   HG22  ILE  51          HG22      ILE  51 -13.727   4.304   5.967
  365   HG23  ILE  51          HG23      ILE  51 -12.145   4.432   6.775
  366   HD11  ILE  51          HD11      ILE  51 -12.707   7.881   4.871
  367   HD12  ILE  51          HD12      ILE  51 -12.596   6.121   4.852
  368   HD13  ILE  51          HD13      ILE  51 -14.186   6.909   5.010
  369    H    ASP  52           H        ASP  52 -15.371   4.791   9.996
  370    HA   ASP  52           HA       ASP  52 -16.356   2.225   9.186
  371    HB2  ASP  52           HB2      ASP  52 -15.153   2.768  11.322
  372    HB3  ASP  52           HB3      ASP  52 -16.636   3.537  11.904
  373    H    ASN  53           H        ASN  53 -18.131   5.145  10.347
  374    HA   ASN  53           HA       ASN  53 -20.763   4.015  10.242
  375    HB2  ASN  53           HB2      ASN  53 -19.721   6.857   9.964
  376    HB3  ASN  53           HB3      ASN  53 -21.390   6.502   9.609
  377   HD21  ASN  53          HD22      ASN  53 -18.994   5.854  12.284
  378   HD22  ASN  53          HD21      ASN  53 -20.207   6.063  13.536
  379    H    ARG  54           H        ARG  54 -18.985   5.846   7.743
  380    HA   ARG  54           HA       ARG  54 -20.780   5.665   5.610
  381    HB2  ARG  54           HB2      ARG  54 -18.884   7.185   5.812
  382    HB3  ARG  54           HB3      ARG  54 -17.748   5.835   5.710
  383    HG2  ARG  54           HG2      ARG  54 -18.434   5.421   3.369
  384    HG3  ARG  54           HG3      ARG  54 -19.583   6.777   3.468
  385    HD2  ARG  54           HD2      ARG  54 -17.736   8.336   3.924
  386    HD3  ARG  54           HD3      ARG  54 -16.588   6.992   4.027
  387    HE   ARG  54           HE       ARG  54 -18.099   7.778   1.521
  388   HH11  ARG  54          HH21      ARG  54 -14.968   6.594   2.837
  389   HH12  ARG  54          HH22      ARG  54 -14.233   6.860   1.267
  390   HH21  ARG  54          HH11      ARG  54 -17.093   7.915  -0.295
  391   HH22  ARG  54          HH12      ARG  54 -15.348   7.610  -0.425
  392    H    ARG  55           H        ARG  55 -18.270   3.324   6.526
  393    HA   ARG  55           HA       ARG  55 -18.809   1.571   4.230
  394    HB2  ARG  55           HB2      ARG  55 -16.994   1.345   6.657
  395    HB3  ARG  55           HB3      ARG  55 -17.157   0.068   5.447
  396    HG2  ARG  55           HG2      ARG  55 -16.381   1.534   3.666
  397    HG3  ARG  55           HG3      ARG  55 -16.345   2.925   4.748
  398    HD2  ARG  55           HD2      ARG  55 -14.081   2.097   4.481
  399    HD3  ARG  55           HD3      ARG  55 -14.615   1.835   6.137
  400    HE   ARG  55           HE       ARG  55 -14.440  -0.440   5.853
  401   HH11  ARG  55          HH11      ARG  55 -14.332   0.963   2.602
  402   HH12  ARG  55          HH12      ARG  55 -13.904  -0.557   1.868
  403   HH21  ARG  55          HH21      ARG  55 -13.904  -2.364   4.832
  404   HH22  ARG  55          HH22      ARG  55 -13.674  -2.408   3.111
  405    H    ILE  56           H        ILE  56 -19.297   1.231   7.786
  406    HA   ILE  56           HA       ILE  56 -20.673  -1.375   7.328
  407    HB   ILE  56           HB       ILE  56 -19.745  -0.093   9.925
  408   HG12  ILE  56          HG12      ILE  56 -17.755  -0.399   8.612
  409   HG13  ILE  56          HG13      ILE  56 -17.818  -1.617   9.866
  410   HG21  ILE  56          HG21      ILE  56 -19.848  -2.432  10.790
  411   HG22  ILE  56          HG22      ILE  56 -21.427  -1.789  10.335
  412   HG23  ILE  56          HG23      ILE  56 -20.602  -2.938   9.261
  413   HD11  ILE  56          HD11      ILE  56 -18.542  -3.318   8.195
  414   HD12  ILE  56          HD12      ILE  56 -18.470  -2.082   6.914
  415   HD13  ILE  56          HD13      ILE  56 -16.995  -2.563   7.769
  416    H    MET  57           H        MET  57 -21.390   1.725   8.974
  417    HA   MET  57           HA       MET  57 -24.012   0.688   9.842
  418    HB2  MET  57           HB2      MET  57 -22.892   3.498  10.135
  419    HB3  MET  57           HB3      MET  57 -24.292   2.821  10.958
  420    HG2  MET  57           HG2      MET  57 -22.814   1.085  12.004
  421    HG3  MET  57           HG3      MET  57 -21.413   1.880  11.289
  422    HE1  MET  57           HE1      MET  57 -21.518   1.235  14.316
  423    HE2  MET  57           HE2      MET  57 -20.185   2.103  13.528
  424    HE3  MET  57           HE3      MET  57 -20.909   2.745  15.014
  425    H    ASN  58           H        ASN  58 -22.886   2.315   7.072
  426    HA   ASN  58           HA       ASN  58 -25.279   3.668   6.252
  427    HB2  ASN  58           HB2      ASN  58 -22.926   4.234   5.630
  428    HB3  ASN  58           HB3      ASN  58 -22.852   2.743   4.679
  429   HD21  ASN  58          HD22      ASN  58 -22.259   4.227   2.921
  430   HD22  ASN  58          HD21      ASN  58 -23.538   5.052   2.040
  431    H    GLN  59           H        GLN  59 -26.363   1.369   6.954
  432    HA   GLN  59           HA       GLN  59 -27.204  -0.023   4.450
  433    HB2  GLN  59           HB2      GLN  59 -26.260  -1.379   7.027
  434    HB3  GLN  59           HB3      GLN  59 -27.106  -2.195   5.708
  435    HG2  GLN  59           HG2      GLN  59 -25.230  -1.579   4.160
  436    HG3  GLN  59           HG3      GLN  59 -24.355  -0.887   5.530
  437   HE21  GLN  59          HE22      GLN  59 -23.575  -2.357   7.237
  438   HE22  GLN  59          HE21      GLN  59 -23.446  -4.084   6.900
  439    H    ALA  60           H        ALA  60 -29.276  -1.039   4.619
  440    HA   ALA  60           HA       ALA  60 -30.953  -0.731   6.977
  441    HB1  ALA  60           HB1      ALA  60 -31.023   1.575   6.074
  442    HB2  ALA  60           HB2      ALA  60 -31.511   0.947   4.483
  443    HB3  ALA  60           HB3      ALA  60 -32.595   0.776   5.878
  444    H    SER  61           H        SER  61 -33.077  -1.672   6.698
  445    HA   SER  61           HA       SER  61 -33.097  -3.984   4.872
  446    HB2  SER  61           HB2      SER  61 -35.101  -3.090   6.974
  447    HB3  SER  61           HB3      SER  61 -35.115  -4.635   6.112
  448    HG   SER  61           HG       SER  61 -34.125  -4.798   8.181
  449    H    GLU  62           H        GLU  62 -34.889  -4.545   3.514
  450    HA   GLU  62           HA       GLU  62 -36.944  -2.658   2.738
  451    HB2  GLU  62           HB2      GLU  62 -36.282  -2.339   0.433
  452    HB3  GLU  62           HB3      GLU  62 -35.083  -1.648   1.518
  453    HG2  GLU  62           HG2      GLU  62 -33.616  -3.643   1.152
  454    HG3  GLU  62           HG3      GLU  62 -34.826  -4.316   0.057
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   9.561  18.276 -12.777
    2    H2   GLY   1           H2       GLY   1   8.278  17.381 -13.246
    3    H3   GLY   1           H3       GLY   1   8.066  18.621 -12.198
    4    HA2  GLY   1           HA2      GLY   1   9.596  16.154 -11.645
    5    HA3  GLY   1           HA3      GLY   1   9.393  17.503 -10.513
    6    HA   PRO   2           HA       PRO   2   5.939  14.323  -9.991
    7    HB2  PRO   2           HB2      PRO   2   6.604  13.237  -7.575
    8    HB3  PRO   2           HB3      PRO   2   7.347  12.692  -9.109
    9    HG2  PRO   2           HG2      PRO   2   8.457  14.700  -7.122
   10    HG3  PRO   2           HG3      PRO   2   9.282  13.275  -7.830
   11    HD2  PRO   2           HD2      PRO   2   9.589  15.781  -8.851
   12    HD3  PRO   2           HD3      PRO   2   9.528  14.343  -9.917
   13    H    HIS   3           H        HIS   3   4.231  14.311  -8.316
   14    HA   HIS   3           HA       HIS   3   4.165  16.384  -6.270
   15    HB2  HIS   3           HB2      HIS   3   3.674  17.571  -8.481
   16    HB3  HIS   3           HB3      HIS   3   2.227  16.578  -8.619
   17    HD1  HIS   3           HD1      HIS   3   0.216  17.200  -6.821
   18    HD2  HIS   3           HD2      HIS   3   3.690  19.578  -6.726
   19    HE1  HIS   3           HE1      HIS   3  -0.376  19.284  -5.475
   20    H    MET   4           H        MET   4   2.220  16.241  -4.933
   21    HA   MET   4           HA       MET   4   1.177  13.531  -4.641
   22    HB2  MET   4           HB2      MET   4   0.534  16.145  -3.201
   23    HB3  MET   4           HB3      MET   4  -0.126  14.569  -2.758
   24    HG2  MET   4           HG2      MET   4   2.182  13.696  -2.429
   25    HG3  MET   4           HG3      MET   4   2.822  15.307  -2.765
   26    HE1  MET   4           HE1      MET   4   3.460  14.842   1.066
   27    HE2  MET   4           HE2      MET   4   3.528  13.598  -0.202
   28    HE3  MET   4           HE3      MET   4   4.182  15.220  -0.511
   29    H    SER   5           H        SER   5  -1.154  13.127  -4.346
   30    HA   SER   5           HA       SER   5  -3.245  14.714  -5.490
   31    HB2  SER   5           HB2      SER   5  -2.214  12.346  -7.111
   32    HB3  SER   5           HB3      SER   5  -3.855  12.993  -7.278
   33    HG   SER   5           HG       SER   5  -1.645  14.729  -7.449
   34    H    TYR   6           H        TYR   6  -5.365  13.526  -5.252
   35    HA   TYR   6           HA       TYR   6  -5.483  12.512  -2.658
   36    HB2  TYR   6           HB2      TYR   6  -7.508  12.238  -4.907
   37    HB3  TYR   6           HB3      TYR   6  -7.844  11.948  -3.206
   38    HD1  TYR   6           HD1      TYR   6  -7.407  13.872  -1.524
   39    HD2  TYR   6           HD2      TYR   6  -7.743  14.449  -5.787
   40    HE1  TYR   6           HE1      TYR   6  -7.905  16.276  -1.152
   41    HE2  TYR   6           HE2      TYR   6  -8.243  16.856  -5.424
   42    HH   TYR   6           HH       TYR   6  -8.384  18.298  -2.137
   43    H    ASP   7           H        ASP   7  -5.314  10.607  -5.648
   44    HA   ASP   7           HA       ASP   7  -5.832   8.046  -4.412
   45    HB2  ASP   7           HB2      ASP   7  -5.211   7.121  -6.532
   46    HB3  ASP   7           HB3      ASP   7  -6.234   8.526  -6.795
   47    H    ALA   8           H        ALA   8  -2.942   9.997  -4.647
   48    HA   ALA   8           HA       ALA   8  -1.152   7.762  -3.826
   49    HB1  ALA   8           HB1      ALA   8  -0.602  10.720  -4.362
   50    HB2  ALA   8           HB2      ALA   8   0.614   9.467  -4.037
   51    HB3  ALA   8           HB3      ALA   8  -0.355   9.392  -5.519
   52    H    ASN   9           H        ASN   9  -2.667  10.710  -2.549
   53    HA   ASN   9           HA       ASN   9  -1.458  10.634   0.058
   54    HB2  ASN   9           HB2      ASN   9  -2.399  12.645  -1.025
   55    HB3  ASN   9           HB3      ASN   9  -4.015  11.938  -0.978
   56   HD21  ASN   9          HD22      ASN   9  -1.333  13.116   1.110
   57   HD22  ASN   9          HD21      ASN   9  -2.376  13.473   2.473
   58    H    VAL  10           H        VAL  10  -4.561   9.384  -1.197
   59    HA   VAL  10           HA       VAL  10  -5.977   7.797  -0.565
   60    HB   VAL  10           HB       VAL  10  -4.009   6.852   1.550
   61   HG11  VAL  10          HG11      VAL  10  -6.345   5.457   0.152
   62   HG12  VAL  10          HG12      VAL  10  -5.204   4.695   1.281
   63   HG13  VAL  10          HG13      VAL  10  -6.306   5.946   1.859
   64   HG21  VAL  10          HG21      VAL  10  -2.932   6.822  -0.673
   65   HG22  VAL  10          HG22      VAL  10  -3.337   5.178  -0.169
   66   HG23  VAL  10          HG23      VAL  10  -4.349   6.014  -1.368
   67    H    ILE  11           H        ILE  11  -7.421   9.378  -0.015
   68    HA   ILE  11           HA       ILE  11  -8.303   9.368   2.803
   69    HB   ILE  11           HB       ILE  11  -6.804  11.411   1.996
   70   HG12  ILE  11          HG12      ILE  11  -9.327  11.765   3.651
   71   HG13  ILE  11          HG13      ILE  11  -7.792  11.109   4.220
   72   HG21  ILE  11          HG21      ILE  11  -7.997  13.305   1.105
   73   HG22  ILE  11          HG22      ILE  11  -8.254  11.939   0.025
   74   HG23  ILE  11          HG23      ILE  11  -9.544  12.427   1.154
   75   HD11  ILE  11          HD11      ILE  11  -6.658  13.245   3.797
   76   HD12  ILE  11          HD12      ILE  11  -8.191  13.972   3.257
   77   HD13  ILE  11          HD13      ILE  11  -8.012  13.424   4.927
   78    H    ASP  12           H        ASP  12 -10.537   9.600   3.083
   79    HA   ASP  12           HA       ASP  12 -12.129   9.019   0.647
   80    HB2  ASP  12           HB2      ASP  12 -12.649   8.664   3.596
   81    HB3  ASP  12           HB3      ASP  12 -13.915   8.514   2.376
   82    H    ASP  13           H        ASP  13 -12.748  10.736  -0.420
   83    HA   ASP  13           HA       ASP  13 -13.024  13.356   0.459
   84    HB2  ASP  13           HB2      ASP  13 -12.751  12.605  -1.865
   85    HB3  ASP  13           HB3      ASP  13 -14.387  11.944  -1.864
   86    H    GLU  14           H        GLU  14 -15.580  10.864   0.325
   87    HA   GLU  14           HA       GLU  14 -17.750  12.618   1.085
   88    HB2  GLU  14           HB2      GLU  14 -17.431   9.603   1.399
   89    HB3  GLU  14           HB3      GLU  14 -18.926  10.504   1.687
   90    HG2  GLU  14           HG2      GLU  14 -18.884  11.297  -0.678
   91    HG3  GLU  14           HG3      GLU  14 -17.471  10.277  -0.979
   92    H    ALA  15           H        ALA  15 -15.495  10.575   3.024
   93    HA   ALA  15           HA       ALA  15 -16.712  11.221   5.564
   94    HB1  ALA  15           HB1      ALA  15 -14.618  10.321   6.505
   95    HB2  ALA  15           HB2      ALA  15 -15.218   9.275   5.203
   96    HB3  ALA  15           HB3      ALA  15 -13.846  10.361   4.907
   97    H    VAL  16           H        VAL  16 -13.983  12.627   3.761
   98    HA   VAL  16           HA       VAL  16 -13.225  14.647   5.589
   99    HB   VAL  16           HB       VAL  16 -12.916  14.323   2.589
  100   HG11  VAL  16          HG11      VAL  16 -12.764  16.736   2.912
  101   HG12  VAL  16          HG12      VAL  16 -11.636  16.502   4.284
  102   HG13  VAL  16          HG13      VAL  16 -11.156  16.073   2.627
  103   HG21  VAL  16          HG21      VAL  16 -10.921  14.183   4.905
  104   HG22  VAL  16          HG22      VAL  16 -11.671  12.790   4.115
  105   HG23  VAL  16          HG23      VAL  16 -10.586  13.831   3.193
  106    H    LYS  17           H        LYS  17 -15.804  14.767   3.056
  107    HA   LYS  17           HA       LYS  17 -16.378  17.565   3.782
  108    HB2  LYS  17           HB2      LYS  17 -17.823  17.641   1.997
  109    HB3  LYS  17           HB3      LYS  17 -16.519  16.580   1.463
  110    HG2  LYS  17           HG2      LYS  17 -18.027  14.610   1.993
  111    HG3  LYS  17           HG3      LYS  17 -19.323  15.759   2.345
  112    HD2  LYS  17           HD2      LYS  17 -19.633  14.957   0.104
  113    HD3  LYS  17           HD3      LYS  17 -19.113  16.654   0.007
  114    HE2  LYS  17           HE2      LYS  17 -16.775  15.896  -0.440
  115    HE3  LYS  17           HE3      LYS  17 -17.287  14.217  -0.302
  116    HZ1  LYS  17           HZ1      LYS  17 -17.129  14.876  -2.578
  117    HZ2  LYS  17           HZ2      LYS  17 -18.711  14.575  -2.261
  118    HZ3  LYS  17           HZ3      LYS  17 -18.183  16.126  -2.395
  119    H    GLU  18           H        GLU  18 -17.887  14.369   4.487
  120    HA   GLU  18           HA       GLU  18 -20.164  15.531   5.787
  121    HB2  GLU  18           HB2      GLU  18 -20.120  13.278   4.815
  122    HB3  GLU  18           HB3      GLU  18 -19.025  12.724   6.096
  123    HG2  GLU  18           HG2      GLU  18 -20.704  13.020   7.783
  124    HG3  GLU  18           HG3      GLU  18 -21.728  13.986   6.711
  125    H    VAL  19           H        VAL  19 -17.041  14.361   7.172
  126    HA   VAL  19           HA       VAL  19 -17.579  14.603   9.910
  127    HB   VAL  19           HB       VAL  19 -15.526  13.737   8.842
  128   HG11  VAL  19          HG11      VAL  19 -13.728  15.159   8.160
  129   HG12  VAL  19          HG12      VAL  19 -15.159  15.654   7.276
  130   HG13  VAL  19          HG13      VAL  19 -14.613  16.633   8.630
  131   HG21  VAL  19          HG21      VAL  19 -15.609  14.152  11.272
  132   HG22  VAL  19          HG22      VAL  19 -13.981  14.310  10.591
  133   HG23  VAL  19          HG23      VAL  19 -14.913  15.764  11.013
  134    H    CYS  20           H        CYS  20 -17.006  17.334   7.687
  135    HA   CYS  20           HA       CYS  20 -16.714  19.402   9.654
  136    HB2  CYS  20           HB2      CYS  20 -16.127  19.646   7.287
  137    HB3  CYS  20           HB3      CYS  20 -17.814  19.405   6.792
  138    HG   CYS  20           HG       CYS  20 -17.040  21.698   9.045
  139    H    GLU  21           H        GLU  21 -19.619  17.875   8.244
  140    HA   GLU  21           HA       GLU  21 -21.461  19.699   9.661
  141    HB2  GLU  21           HB2      GLU  21 -21.901  18.871   7.338
  142    HB3  GLU  21           HB3      GLU  21 -21.990  17.228   7.954
  143    HG2  GLU  21           HG2      GLU  21 -24.216  18.047   7.652
  144    HG3  GLU  21           HG3      GLU  21 -23.938  17.895   9.379
  145    H    LYS  22           H        LYS  22 -20.700  16.183   9.644
  146    HA   LYS  22           HA       LYS  22 -22.494  15.398  11.670
  147    HB2  LYS  22           HB2      LYS  22 -20.968  14.173   9.830
  148    HB3  LYS  22           HB3      LYS  22 -19.887  13.936  11.180
  149    HG2  LYS  22           HG2      LYS  22 -22.778  13.001  10.896
  150    HG3  LYS  22           HG3      LYS  22 -21.345  12.009  10.697
  151    HD2  LYS  22           HD2      LYS  22 -22.369  13.197  13.306
  152    HD3  LYS  22           HD3      LYS  22 -22.450  11.517  12.776
  153    HE2  LYS  22           HE2      LYS  22 -19.975  11.360  12.779
  154    HE3  LYS  22           HE3      LYS  22 -19.865  13.036  13.350
  155    HZ1  LYS  22           HZ1      LYS  22 -21.181  10.812  14.831
  156    HZ2  LYS  22           HZ2      LYS  22 -19.724  11.456  15.196
  157    HZ3  LYS  22           HZ3      LYS  22 -21.085  12.360  15.359
  158    H    PHE  23           H        PHE  23 -19.045  16.295  11.954
  159    HA   PHE  23           HA       PHE  23 -19.124  15.999  14.907
  160    HB2  PHE  23           HB2      PHE  23 -17.383  14.987  13.202
  161    HB3  PHE  23           HB3      PHE  23 -16.682  16.598  13.233
  162    HD1  PHE  23           HD2      PHE  23 -17.857  13.826  15.472
  163    HD2  PHE  23           HD1      PHE  23 -15.089  17.087  14.941
  164    HE1  PHE  23           HE2      PHE  23 -16.642  13.119  17.506
  165    HE2  PHE  23           HE1      PHE  23 -13.878  16.386  16.985
  166    HZ   PHE  23           HZ       PHE  23 -14.648  14.405  18.280
  167    H    GLU  24           H        GLU  24 -19.644  18.509  12.734
  168    HA   GLU  24           HA       GLU  24 -19.785  20.727  12.865
  169    HB2  GLU  24           HB2      GLU  24 -19.586  20.380  15.888
  170    HB3  GLU  24           HB3      GLU  24 -20.201  21.790  15.030
  171    HG2  GLU  24           HG2      GLU  24 -22.018  20.413  14.041
  172    HG3  GLU  24           HG3      GLU  24 -21.459  19.014  14.962
  173    H    CYS  25           H        CYS  25 -17.163  19.622  12.527
  174    HA   CYS  25           HA       CYS  25 -15.347  21.777  13.536
  175    HB2  CYS  25           HB2      CYS  25 -13.554  20.164  13.154
  176    HB3  CYS  25           HB3      CYS  25 -14.818  19.405  14.121
  177    HG   CYS  25           HG       CYS  25 -13.883  17.640  12.383
  178    H    THR  26           H        THR  26 -13.346  21.355  11.473
  179    HA   THR  26           HA       THR  26 -14.756  22.185   8.973
  180    HB   THR  26           HB       THR  26 -12.897  23.669   8.407
  181    HG1  THR  26           HG1      THR  26 -11.534  24.237  10.236
  182   HG21  THR  26          HG21      THR  26 -14.911  24.571   9.581
  183   HG22  THR  26          HG22      THR  26 -14.072  24.378  11.136
  184   HG23  THR  26          HG23      THR  26 -13.439  25.498   9.910
  185    H    GLU  27           H        GLU  27 -14.038  21.457   7.107
  186    HA   GLU  27           HA       GLU  27 -12.711  18.992   6.765
  187    HB2  GLU  27           HB2      GLU  27 -14.138  19.900   5.085
  188    HB3  GLU  27           HB3      GLU  27 -13.203  21.400   4.971
  189    HG2  GLU  27           HG2      GLU  27 -11.316  20.144   3.969
  190    HG3  GLU  27           HG3      GLU  27 -12.269  18.661   4.088
  191    H    SER  28           H        SER  28 -11.357  22.334   6.419
  192    HA   SER  28           HA       SER  28  -8.734  21.639   5.785
  193    HB2  SER  28           HB2      SER  28  -9.612  24.014   7.476
  194    HB3  SER  28           HB3      SER  28  -8.135  23.878   6.505
  195    HG   SER  28           HG       SER  28  -9.779  25.046   5.402
  196    H    GLU  29           H        GLU  29 -10.138  21.895   9.121
  197    HA   GLU  29           HA       GLU  29  -7.491  21.465  10.316
  198    HB2  GLU  29           HB2      GLU  29 -10.265  21.568  11.521
  199    HB3  GLU  29           HB3      GLU  29  -8.789  21.309  12.453
  200    HG2  GLU  29           HG2      GLU  29  -9.290  23.773  10.739
  201    HG3  GLU  29           HG3      GLU  29  -9.561  23.672  12.478
  202    H    VAL  30           H        VAL  30 -10.278  19.393   9.492
  203    HA   VAL  30           HA       VAL  30  -9.265  16.997  10.758
  204    HB   VAL  30           HB       VAL  30 -11.081  17.418   8.357
  205   HG11  VAL  30          HG11      VAL  30 -10.024  15.272   7.929
  206   HG12  VAL  30          HG12      VAL  30 -10.227  14.780   9.625
  207   HG13  VAL  30          HG13      VAL  30 -11.632  14.970   8.565
  208   HG21  VAL  30          HG21      VAL  30 -12.838  16.798   9.864
  209   HG22  VAL  30          HG22      VAL  30 -11.712  16.255  11.096
  210   HG23  VAL  30          HG23      VAL  30 -11.871  17.986  10.733
  211    H    MET  31           H        MET  31  -8.864  18.264   7.384
  212    HA   MET  31           HA       MET  31  -7.048  16.209   6.541
  213    HB2  MET  31           HB2      MET  31  -7.447  19.070   5.570
  214    HB3  MET  31           HB3      MET  31  -6.426  17.872   4.763
  215    HG2  MET  31           HG2      MET  31  -8.370  16.372   4.464
  216    HG3  MET  31           HG3      MET  31  -9.398  17.524   5.303
  217    HE1  MET  31           HE1      MET  31  -6.653  17.894   2.404
  218    HE2  MET  31           HE2      MET  31  -7.679  16.497   2.013
  219    HE3  MET  31           HE3      MET  31  -7.755  17.966   1.017
  220    H    ASN  32           H        ASN  32  -6.350  19.487   7.928
  221    HA   ASN  32           HA       ASN  32  -3.540  19.238   8.004
  222    HB2  ASN  32           HB2      ASN  32  -4.727  21.327   8.493
  223    HB3  ASN  32           HB3      ASN  32  -5.420  20.629   9.956
  224   HD21  ASN  32          HD22      ASN  32  -4.217  20.769  11.885
  225   HD22  ASN  32          HD21      ASN  32  -2.556  21.318  11.927
  226    H    SER  33           H        SER  33  -5.927  18.098  10.499
  227    HA   SER  33           HA       SER  33  -3.959  17.090  12.315
  228    HB2  SER  33           HB2      SER  33  -6.757  15.987  11.885
  229    HB3  SER  33           HB3      SER  33  -5.715  15.770  13.300
  230    HG   SER  33           HG       SER  33  -6.937  18.178  12.346
  231    H    LEU  34           H        LEU  34  -5.193  15.656   9.321
  232    HA   LEU  34           HA       LEU  34  -4.068  12.993   9.920
  233    HB2  LEU  34           HB2      LEU  34  -5.488  14.251   7.533
  234    HB3  LEU  34           HB3      LEU  34  -4.915  12.592   7.536
  235    HG   LEU  34           HG       LEU  34  -6.866  13.595   9.669
  236   HD11  LEU  34          HD11      LEU  34  -8.685  12.707   8.323
  237   HD12  LEU  34          HD12      LEU  34  -7.850  13.965   7.413
  238   HD13  LEU  34          HD13      LEU  34  -7.557  12.249   7.025
  239   HD21  LEU  34          HD21      LEU  34  -6.194  10.808   8.604
  240   HD22  LEU  34          HD22      LEU  34  -5.691  11.471  10.172
  241   HD23  LEU  34          HD23      LEU  34  -7.410  11.187   9.843
  242    H    TYR  35           H        TYR  35  -2.988  15.954   8.400
  243    HA   TYR  35           HA       TYR  35  -0.773  14.542   6.964
  244    HB2  TYR  35           HB2      TYR  35  -1.796  17.396   6.788
  245    HB3  TYR  35           HB3      TYR  35  -0.534  16.691   5.790
  246    HD1  TYR  35           HD2      TYR  35  -2.468  13.940   5.632
  247    HD2  TYR  35           HD1      TYR  35  -2.744  18.125   4.619
  248    HE1  TYR  35           HE2      TYR  35  -4.137  13.403   3.911
  249    HE2  TYR  35           HE1      TYR  35  -4.386  17.578   2.837
  250    HH   TYR  35           HH       TYR  35  -5.319  14.188   2.129
  251    H    SER  36           H        SER  36  -1.266  17.205   9.275
  252    HA   SER  36           HA       SER  36   1.694  17.354   9.803
  253    HB2  SER  36           HB2      SER  36  -0.388  19.573   9.751
  254    HB3  SER  36           HB3      SER  36   1.337  19.772  10.092
  255    HG   SER  36           HG       SER  36   0.810  20.260   7.904
  256    H    GLY  37           H        GLY  37  -1.447  17.012  11.313
  257    HA2  GLY  37           HA2      GLY  37  -0.402  17.575  14.047
  258    HA3  GLY  37           HA3      GLY  37  -2.050  17.083  13.603
  259    H    ASP  38           H        ASP  38  -2.510  15.116  14.327
  260    HA   ASP  38           HA       ASP  38  -0.767  12.884  13.647
  261    HB2  ASP  38           HB2      ASP  38  -0.078  13.554  15.951
  262    HB3  ASP  38           HB3      ASP  38  -1.723  13.241  16.506
  263    HA   PRO  39           HA       PRO  39  -4.852  11.395  12.522
  264    HB2  PRO  39           HB2      PRO  39  -3.521   8.694  12.824
  265    HB3  PRO  39           HB3      PRO  39  -4.602   9.280  11.513
  266    HG2  PRO  39           HG2      PRO  39  -1.930   9.254  11.129
  267    HG3  PRO  39           HG3      PRO  39  -2.888  10.693  10.633
  268    HD2  PRO  39           HD2      PRO  39  -1.233  10.304  13.143
  269    HD3  PRO  39           HD3      PRO  39  -1.320  11.710  12.036
  270    H    GLN  40           H        GLN  40  -3.553  10.848  15.607
  271    HA   GLN  40           HA       GLN  40  -5.859   9.262  16.639
  272    HB2  GLN  40           HB2      GLN  40  -3.301  10.274  17.948
  273    HB3  GLN  40           HB3      GLN  40  -4.537   9.323  18.766
  274    HG2  GLN  40           HG2      GLN  40  -4.137   7.382  17.419
  275    HG3  GLN  40           HG3      GLN  40  -3.125   8.270  16.281
  276   HE21  GLN  40          HE22      GLN  40  -1.102   9.299  17.207
  277   HE22  GLN  40          HE21      GLN  40  -0.229   8.350  18.425
  278    H    ASP  41           H        ASP  41  -5.183  12.512  16.012
  279    HA   ASP  41           HA       ASP  41  -6.371  13.828  18.267
  280    HB2  ASP  41           HB2      ASP  41  -4.967  14.921  16.517
  281    HB3  ASP  41           HB3      ASP  41  -6.265  14.664  15.344
  282    H    GLN  42           H        GLN  42  -8.476  14.668  18.529
  283    HA   GLN  42           HA       GLN  42 -10.662  12.979  18.059
  284    HB2  GLN  42           HB2      GLN  42 -10.592  15.986  18.546
  285    HB3  GLN  42           HB3      GLN  42 -12.054  15.002  18.611
  286    HG2  GLN  42           HG2      GLN  42 -11.064  13.631  20.439
  287    HG3  GLN  42           HG3      GLN  42  -9.613  14.642  20.416
  288   HE21  GLN  42          HE22      GLN  42 -13.164  14.712  21.091
  289   HE22  GLN  42          HE21      GLN  42 -13.061  16.130  22.118
  290    H    LEU  43           H        LEU  43  -9.496  15.613  15.898
  291    HA   LEU  43           HA       LEU  43 -11.866  15.546  14.203
  292    HB2  LEU  43           HB2      LEU  43  -9.045  16.632  13.743
  293    HB3  LEU  43           HB3      LEU  43 -10.445  16.975  12.744
  294    HG   LEU  43           HG       LEU  43 -10.014  17.873  15.619
  295   HD11  LEU  43          HD11      LEU  43  -8.816  19.137  13.854
  296   HD12  LEU  43          HD12      LEU  43 -10.354  19.398  13.003
  297   HD13  LEU  43          HD13      LEU  43 -10.083  20.114  14.605
  298   HD21  LEU  43          HD21      LEU  43 -12.192  19.111  15.315
  299   HD22  LEU  43          HD22      LEU  43 -12.475  18.135  13.855
  300   HD23  LEU  43          HD23      LEU  43 -12.375  17.360  15.452
  301    H    ALA  44           H        ALA  44  -8.661  14.006  14.057
  302    HA   ALA  44           HA       ALA  44  -9.143  12.652  11.518
  303    HB1  ALA  44           HB1      ALA  44  -7.141  12.221  13.790
  304    HB2  ALA  44           HB2      ALA  44  -7.124  11.368  12.237
  305    HB3  ALA  44           HB3      ALA  44  -6.872  13.129  12.285
  306    H    VAL  45           H        VAL  45  -9.514  11.770  14.959
  307    HA   VAL  45           HA       VAL  45 -10.447   9.097  14.534
  308    HB   VAL  45           HB       VAL  45 -10.805  11.058  16.810
  309   HG11  VAL  45          HG11      VAL  45 -11.768   8.164  16.722
  310   HG12  VAL  45          HG12      VAL  45 -11.595   9.135  18.201
  311   HG13  VAL  45          HG13      VAL  45 -12.767   9.619  16.977
  312   HG21  VAL  45          HG21      VAL  45  -9.228   8.456  16.556
  313   HG22  VAL  45          HG22      VAL  45  -8.533  10.072  16.397
  314   HG23  VAL  45          HG23      VAL  45  -9.217   9.563  17.946
  315    H    ALA  46           H        ALA  46 -12.330  12.208  14.724
  316    HA   ALA  46           HA       ALA  46 -14.905  11.112  14.310
  317    HB1  ALA  46           HB1      ALA  46 -13.739  13.741  13.283
  318    HB2  ALA  46           HB2      ALA  46 -15.457  13.347  13.510
  319    HB3  ALA  46           HB3      ALA  46 -14.379  13.454  14.914
  320    H    TYR  47           H        TYR  47 -12.566  12.249  11.817
  321    HA   TYR  47           HA       TYR  47 -13.944  11.421   9.501
  322    HB2  TYR  47           HB2      TYR  47 -12.121  12.796   9.194
  323    HB3  TYR  47           HB3      TYR  47 -11.082  11.907  10.276
  324    HD1  TYR  47           HD1      TYR  47 -12.481  11.967   6.840
  325    HD2  TYR  47           HD2      TYR  47  -9.715  10.077   9.553
  326    HE1  TYR  47           HE1      TYR  47 -11.395  10.788   4.926
  327    HE2  TYR  47           HE2      TYR  47  -8.618   8.927   7.652
  328    HH   TYR  47           HH       TYR  47  -8.643   8.557   5.389
  329    H    HIS  48           H        HIS  48 -11.610   9.468  11.452
  330    HA   HIS  48           HA       HIS  48 -11.848   7.064   9.942
  331    HB2  HIS  48           HB2      HIS  48 -10.055   7.571  11.563
  332    HB3  HIS  48           HB3      HIS  48 -11.208   7.494  12.892
  333    HD1  HIS  48           HD1      HIS  48  -9.343   5.167  10.468
  334    HD2  HIS  48           HD2      HIS  48 -11.957   5.071  13.767
  335    HE1  HIS  48           HE1      HIS  48  -9.396   2.755  11.266
  336    H    LEU  49           H        LEU  49 -13.752   8.080  12.837
  337    HA   LEU  49           HA       LEU  49 -15.372   5.704  12.995
  338    HB2  LEU  49           HB2      LEU  49 -15.740   8.584  13.939
  339    HB3  LEU  49           HB3      LEU  49 -16.900   7.321  14.310
  340    HG   LEU  49           HG       LEU  49 -13.968   7.136  15.121
  341   HD11  LEU  49          HD11      LEU  49 -14.717   7.827  17.362
  342   HD12  LEU  49          HD12      LEU  49 -15.041   9.097  16.172
  343   HD13  LEU  49          HD13      LEU  49 -16.372   8.067  16.748
  344   HD21  LEU  49          HD21      LEU  49 -16.431   5.586  16.032
  345   HD22  LEU  49          HD22      LEU  49 -15.098   4.947  15.050
  346   HD23  LEU  49          HD23      LEU  49 -14.799   5.435  16.717
  347    H    ILE  50           H        ILE  50 -15.810   8.743  11.199
  348    HA   ILE  50           HA       ILE  50 -18.426   8.046  10.141
  349    HB   ILE  50           HB       ILE  50 -16.289  10.051   9.363
  350   HG12  ILE  50          HG12      ILE  50 -19.120  10.411  10.469
  351   HG13  ILE  50          HG13      ILE  50 -17.715  10.240  11.507
  352   HG21  ILE  50          HG21      ILE  50 -17.437   9.492   7.259
  353   HG22  ILE  50          HG22      ILE  50 -19.018   9.697   8.046
  354   HG23  ILE  50          HG23      ILE  50 -17.934  11.086   7.810
  355   HD11  ILE  50          HD11      ILE  50 -18.275  12.490   9.578
  356   HD12  ILE  50          HD12      ILE  50 -18.091  12.552  11.346
  357   HD13  ILE  50          HD13      ILE  50 -16.679  12.221  10.328
  358    H    ILE  51           H        ILE  51 -15.119   7.394   8.921
  359    HA   ILE  51           HA       ILE  51 -16.027   6.033   6.518
  360    HB   ILE  51           HB       ILE  51 -13.466   5.795   8.160
  361   HG12  ILE  51          HG12      ILE  51 -14.001   6.926   5.373
  362   HG13  ILE  51          HG13      ILE  51 -13.987   7.902   6.836
  363   HG21  ILE  51          HG21      ILE  51 -14.124   4.411   5.516
  364   HG22  ILE  51          HG22      ILE  51 -12.524   4.447   6.293
  365   HG23  ILE  51          HG23      ILE  51 -13.840   3.603   7.073
  366   HD11  ILE  51          HD11      ILE  51 -11.889   8.098   5.668
  367   HD12  ILE  51          HD12      ILE  51 -11.630   7.344   7.255
  368   HD13  ILE  51          HD13      ILE  51 -11.586   6.372   5.765
  369    H    ASP  52           H        ASP  52 -15.405   4.788   9.866
  370    HA   ASP  52           HA       ASP  52 -16.099   2.112   9.209
  371    HB2  ASP  52           HB2      ASP  52 -14.951   2.969  11.328
  372    HB3  ASP  52           HB3      ASP  52 -16.573   3.396  11.907
  373    H    ASN  53           H        ASN  53 -18.175   4.794  10.353
  374    HA   ASN  53           HA       ASN  53 -20.643   3.344  10.434
  375    HB2  ASN  53           HB2      ASN  53 -20.228   5.593  11.431
  376    HB3  ASN  53           HB3      ASN  53 -20.132   6.295   9.816
  377   HD21  ASN  53          HD22      ASN  53 -22.291   4.940  12.268
  378   HD22  ASN  53          HD21      ASN  53 -23.777   5.427  11.463
  379    H    ARG  54           H        ARG  54 -19.193   5.283   7.764
  380    HA   ARG  54           HA       ARG  54 -21.114   4.751   5.753
  381    HB2  ARG  54           HB2      ARG  54 -19.494   6.518   5.679
  382    HB3  ARG  54           HB3      ARG  54 -18.151   5.377   5.724
  383    HG2  ARG  54           HG2      ARG  54 -18.621   4.627   3.456
  384    HG3  ARG  54           HG3      ARG  54 -20.065   5.671   3.376
  385    HD2  ARG  54           HD2      ARG  54 -18.730   7.667   3.653
  386    HD3  ARG  54           HD3      ARG  54 -17.291   6.736   4.042
  387    HE   ARG  54           HE       ARG  54 -18.512   7.115   1.342
  388   HH11  ARG  54          HH11      ARG  54 -15.793   5.642   3.118
  389   HH12  ARG  54          HH12      ARG  54 -14.731   5.861   1.747
  390   HH21  ARG  54          HH21      ARG  54 -17.217   7.144  -0.315
  391   HH22  ARG  54          HH22      ARG  54 -15.567   6.521  -0.247
  392    H    ARG  55           H        ARG  55 -18.242   2.874   6.670
  393    HA   ARG  55           HA       ARG  55 -18.470   0.873   4.615
  394    HB2  ARG  55           HB2      ARG  55 -16.375   1.571   5.709
  395    HB3  ARG  55           HB3      ARG  55 -16.936   0.921   7.247
  396    HG2  ARG  55           HG2      ARG  55 -16.984  -1.369   6.219
  397    HG3  ARG  55           HG3      ARG  55 -16.421  -0.667   4.698
  398    HD2  ARG  55           HD2      ARG  55 -14.519  -1.609   5.768
  399    HD3  ARG  55           HD3      ARG  55 -14.355   0.139   5.894
  400    HE   ARG  55           HE       ARG  55 -15.185  -0.034   8.248
  401   HH11  ARG  55          HH11      ARG  55 -13.638  -2.906   6.860
  402   HH12  ARG  55          HH12      ARG  55 -13.247  -3.549   8.428
  403   HH21  ARG  55          HH21      ARG  55 -14.733  -0.941  10.212
  404   HH22  ARG  55          HH22      ARG  55 -13.838  -2.441  10.298
  405    H    ILE  56           H        ILE  56 -19.035   0.603   8.161
  406    HA   ILE  56           HA       ILE  56 -20.239  -2.101   7.810
  407    HB   ILE  56           HB       ILE  56 -19.397  -0.542  10.295
  408   HG12  ILE  56          HG12      ILE  56 -17.426  -1.057   8.972
  409   HG13  ILE  56          HG13      ILE  56 -17.465  -2.044  10.415
  410   HG21  ILE  56          HG21      ILE  56 -20.309  -3.431  10.004
  411   HG22  ILE  56          HG22      ILE  56 -19.494  -2.775  11.440
  412   HG23  ILE  56          HG23      ILE  56 -21.067  -2.145  10.960
  413   HD11  ILE  56          HD11      ILE  56 -16.694  -3.349   8.498
  414   HD12  ILE  56          HD12      ILE  56 -18.228  -4.002   9.085
  415   HD13  ILE  56          HD13      ILE  56 -18.182  -3.005   7.607
  416    H    MET  57           H        MET  57 -21.185   1.045   9.172
  417    HA   MET  57           HA       MET  57 -23.923   0.022   9.752
  418    HB2  MET  57           HB2      MET  57 -22.739   2.730  10.436
  419    HB3  MET  57           HB3      MET  57 -24.227   2.027  11.052
  420    HG2  MET  57           HG2      MET  57 -22.938   0.249  12.189
  421    HG3  MET  57           HG3      MET  57 -21.428   0.936  11.581
  422    HE1  MET  57           HE1      MET  57 -21.817   0.269  14.587
  423    HE2  MET  57           HE2      MET  57 -20.349   1.012  13.916
  424    HE3  MET  57           HE3      MET  57 -21.122   1.714  15.349
  425    H    ASN  58           H        ASN  58 -23.068   0.315   7.035
  426    HA   ASN  58           HA       ASN  58 -23.517   2.701   5.726
  427    HB2  ASN  58           HB2      ASN  58 -22.436   0.653   4.825
  428    HB3  ASN  58           HB3      ASN  58 -24.002  -0.156   4.755
  429   HD21  ASN  58          HD22      ASN  58 -22.026   2.445   3.344
  430   HD22  ASN  58          HD21      ASN  58 -22.987   2.608   1.876
  431    H    GLN  59           H        GLN  59 -25.986   0.436   6.789
  432    HA   GLN  59           HA       GLN  59 -28.256   2.079   6.185
  433    HB2  GLN  59           HB2      GLN  59 -29.262   0.742   4.381
  434    HB3  GLN  59           HB3      GLN  59 -27.772   1.498   3.853
  435    HG2  GLN  59           HG2      GLN  59 -26.575  -0.700   4.226
  436    HG3  GLN  59           HG3      GLN  59 -28.131  -1.430   4.643
  437   HE21  GLN  59          HE22      GLN  59 -26.285   0.155   1.983
  438   HE22  GLN  59          HE21      GLN  59 -27.276  -0.547   0.705
  439    H    ALA  60           H        ALA  60 -30.344   0.831   6.485
  440    HA   ALA  60           HA       ALA  60 -30.264  -1.702   7.925
  441    HB1  ALA  60           HB1      ALA  60 -29.629  -0.119   9.723
  442    HB2  ALA  60           HB2      ALA  60 -31.063   0.871   9.370
  443    HB3  ALA  60           HB3      ALA  60 -31.247  -0.775  10.012
  444    H    SER  61           H        SER  61 -32.478  -2.373   8.577
  445    HA   SER  61           HA       SER  61 -34.893  -1.165   7.625
  446    HB2  SER  61           HB2      SER  61 -33.654  -3.335   5.891
  447    HB3  SER  61           HB3      SER  61 -35.397  -3.020   5.913
  448    HG   SER  61           HG       SER  61 -33.579  -0.908   5.497
  449    H    GLU  62           H        GLU  62 -36.777  -2.600   7.941
  450    HA   GLU  62           HA       GLU  62 -36.480  -5.090   9.456
  451    HB2  GLU  62           HB2      GLU  62 -36.106  -3.328  11.178
  452    HB3  GLU  62           HB3      GLU  62 -37.681  -2.630  10.789
  453    HG2  GLU  62           HG2      GLU  62 -38.784  -4.741  11.494
  454    HG3  GLU  62           HG3      GLU  62 -37.208  -5.471  11.808
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  10.351  18.684  -1.620
    2    H2   GLY   1           H2       GLY   1  10.917  17.478  -0.667
    3    H3   GLY   1           H3       GLY   1  11.960  18.499  -1.403
    4    HA2  GLY   1           HA2      GLY   1  11.346  17.698  -3.581
    5    HA3  GLY   1           HA3      GLY   1  11.967  16.391  -2.553
    6    HA   PRO   2           HA       PRO   2   7.697  15.299  -4.261
    7    HB2  PRO   2           HB2      PRO   2   8.343  13.334  -6.030
    8    HB3  PRO   2           HB3      PRO   2   8.444  15.070  -6.446
    9    HG2  PRO   2           HG2      PRO   2  10.691  13.252  -5.510
   10    HG3  PRO   2           HG3      PRO   2  10.671  14.340  -6.939
   11    HD2  PRO   2           HD2      PRO   2  11.778  15.093  -4.561
   12    HD3  PRO   2           HD3      PRO   2  10.906  16.261  -5.597
   13    H    HIS   3           H        HIS   3   6.557  13.211  -4.014
   14    HA   HIS   3           HA       HIS   3   7.781  11.000  -2.581
   15    HB2  HIS   3           HB2      HIS   3   6.530  11.277  -0.497
   16    HB3  HIS   3           HB3      HIS   3   7.602  12.639  -0.750
   17    HD1  HIS   3           HD1      HIS   3   3.835  11.797  -0.778
   18    HD2  HIS   3           HD2      HIS   3   6.486  15.056  -1.021
   19    HE1  HIS   3           HE1      HIS   3   2.415  13.881  -0.497
   20    H    MET   4           H        MET   4   6.066   9.383  -1.873
   21    HA   MET   4           HA       MET   4   4.136   8.909  -4.016
   22    HB2  MET   4           HB2      MET   4   4.698   7.447  -1.397
   23    HB3  MET   4           HB3      MET   4   3.568   6.893  -2.642
   24    HG2  MET   4           HG2      MET   4   5.407   6.816  -4.302
   25    HG3  MET   4           HG3      MET   4   6.553   7.317  -3.056
   26    HE1  MET   4           HE1      MET   4   8.095   5.297  -3.654
   27    HE2  MET   4           HE2      MET   4   7.550   3.608  -3.717
   28    HE3  MET   4           HE3      MET   4   6.936   4.778  -4.904
   29    H    SER   5           H        SER   5   1.829   8.623  -3.716
   30    HA   SER   5           HA       SER   5   0.582  10.582  -1.929
   31    HB2  SER   5           HB2      SER   5  -0.655   8.470  -3.733
   32    HB3  SER   5           HB3      SER   5  -1.531   9.742  -2.863
   33    HG   SER   5           HG       SER   5  -1.040  10.290  -5.071
   34    H    TYR   6           H        TYR   6   0.364  10.202   0.191
   35    HA   TYR   6           HA       TYR   6   0.214   7.462   1.272
   36    HB2  TYR   6           HB2      TYR   6   0.375  10.165   2.653
   37    HB3  TYR   6           HB3      TYR   6   0.590   8.599   3.419
   38    HD1  TYR   6           HD2      TYR   6   2.423   7.031   2.106
   39    HD2  TYR   6           HD1      TYR   6   2.378  11.342   2.244
   40    HE1  TYR   6           HE2      TYR   6   4.850   7.064   1.600
   41    HE2  TYR   6           HE1      TYR   6   4.823  11.378   1.765
   42    HH   TYR   6           HH       TYR   6   6.708   8.365   1.282
   43    H    ASP   7           H        ASP   7  -1.234   7.338   3.360
   44    HA   ASP   7           HA       ASP   7  -3.866   6.985   2.575
   45    HB2  ASP   7           HB2      ASP   7  -2.729   5.940   4.505
   46    HB3  ASP   7           HB3      ASP   7  -2.799   7.472   5.373
   47    H    ALA   8           H        ALA   8  -2.526   9.826   4.203
   48    HA   ALA   8           HA       ALA   8  -5.025  11.261   4.471
   49    HB1  ALA   8           HB1      ALA   8  -3.560  13.150   5.058
   50    HB2  ALA   8           HB2      ALA   8  -3.025  11.676   5.882
   51    HB3  ALA   8           HB3      ALA   8  -2.139  12.264   4.460
   52    H    ASN   9           H        ASN   9  -2.638  11.068   1.825
   53    HA   ASN   9           HA       ASN   9  -3.860  13.213   0.257
   54    HB2  ASN   9           HB2      ASN   9  -2.038  10.950  -0.667
   55    HB3  ASN   9           HB3      ASN   9  -2.490  12.374  -1.588
   56   HD21  ASN   9          HD22      ASN   9  -1.960  14.581  -0.317
   57   HD22  ASN   9          HD21      ASN   9  -0.343  14.589   0.358
   58    H    VAL  10           H        VAL  10  -4.061   9.610   0.244
   59    HA   VAL  10           HA       VAL  10  -6.032   9.679  -1.931
   60    HB   VAL  10           HB       VAL  10  -6.003   7.279  -1.970
   61   HG11  VAL  10          HG11      VAL  10  -3.694   6.959  -2.659
   62   HG12  VAL  10          HG12      VAL  10  -4.250   8.575  -3.148
   63   HG13  VAL  10          HG13      VAL  10  -3.175   8.386  -1.746
   64   HG21  VAL  10          HG21      VAL  10  -4.590   5.891  -0.571
   65   HG22  VAL  10          HG22      VAL  10  -4.048   7.290   0.363
   66   HG23  VAL  10          HG23      VAL  10  -5.728   6.747   0.476
   67    H    ILE  11           H        ILE  11  -6.962  11.000   0.360
   68    HA   ILE  11           HA       ILE  11  -8.762   9.337   1.913
   69    HB   ILE  11           HB       ILE  11  -7.526  11.520   2.558
   70   HG12  ILE  11          HG12      ILE  11 -10.442  11.382   3.389
   71   HG13  ILE  11          HG13      ILE  11  -9.194  10.255   3.942
   72   HG21  ILE  11          HG21      ILE  11  -8.434  12.877   0.631
   73   HG22  ILE  11          HG22      ILE  11 -10.035  12.815   1.408
   74   HG23  ILE  11          HG23      ILE  11  -8.681  13.628   2.208
   75   HD11  ILE  11          HD11      ILE  11  -7.875  12.129   4.863
   76   HD12  ILE  11          HD12      ILE  11  -9.155  13.264   4.389
   77   HD13  ILE  11          HD13      ILE  11  -9.492  12.017   5.593
   78    H    ASP  12           H        ASP  12 -11.119   9.590   2.043
   79    HA   ASP  12           HA       ASP  12 -12.385   9.988  -0.603
   80    HB2  ASP  12           HB2      ASP  12 -12.890   8.046   1.068
   81    HB3  ASP  12           HB3      ASP  12 -13.879   9.243   1.908
   82    H    ASP  13           H        ASP  13 -13.217  11.886  -1.181
   83    HA   ASP  13           HA       ASP  13 -13.407  14.208   0.456
   84    HB2  ASP  13           HB2      ASP  13 -13.298  14.310  -1.982
   85    HB3  ASP  13           HB3      ASP  13 -14.840  13.462  -2.123
   86    H    GLU  14           H        GLU  14 -15.832  11.627  -0.207
   87    HA   GLU  14           HA       GLU  14 -18.066  13.042   0.941
   88    HB2  GLU  14           HB2      GLU  14 -17.584  10.047   0.770
   89    HB3  GLU  14           HB3      GLU  14 -19.107  10.823   1.192
   90    HG2  GLU  14           HG2      GLU  14 -19.135  11.929  -1.057
   91    HG3  GLU  14           HG3      GLU  14 -17.700  10.996  -1.500
   92    H    ALA  15           H        ALA  15 -15.534  10.936   2.351
   93    HA   ALA  15           HA       ALA  15 -16.708  10.847   4.985
   94    HB1  ALA  15           HB1      ALA  15 -14.445  10.063   5.675
   95    HB2  ALA  15           HB2      ALA  15 -15.028   9.211   4.229
   96    HB3  ALA  15           HB3      ALA  15 -13.800  10.490   4.083
   97    H    VAL  16           H        VAL  16 -14.059  12.879   3.638
   98    HA   VAL  16           HA       VAL  16 -13.768  14.511   5.943
   99    HB   VAL  16           HB       VAL  16 -13.329  15.321   3.032
  100   HG11  VAL  16          HG11      VAL  16 -12.290  16.589   5.618
  101   HG12  VAL  16          HG12      VAL  16 -11.726  16.997   3.982
  102   HG13  VAL  16          HG13      VAL  16 -13.395  17.338   4.441
  103   HG21  VAL  16          HG21      VAL  16 -11.986  13.339   3.740
  104   HG22  VAL  16          HG22      VAL  16 -10.979  14.754   3.467
  105   HG23  VAL  16          HG23      VAL  16 -11.377  14.259   5.130
  106    H    LYS  17           H        LYS  17 -16.065  14.987   3.191
  107    HA   LYS  17           HA       LYS  17 -17.320  17.373   4.180
  108    HB2  LYS  17           HB2      LYS  17 -18.327  15.078   2.449
  109    HB3  LYS  17           HB3      LYS  17 -19.271  16.529   2.762
  110    HG2  LYS  17           HG2      LYS  17 -16.514  16.599   1.463
  111    HG3  LYS  17           HG3      LYS  17 -18.025  16.447   0.563
  112    HD2  LYS  17           HD2      LYS  17 -18.790  18.611   1.550
  113    HD3  LYS  17           HD3      LYS  17 -17.218  18.790   2.342
  114    HE2  LYS  17           HE2      LYS  17 -17.668  18.551  -0.672
  115    HE3  LYS  17           HE3      LYS  17 -17.404  20.063   0.213
  116    HZ1  LYS  17           HZ1      LYS  17 -15.229  19.078   0.939
  117    HZ2  LYS  17           HZ2      LYS  17 -15.447  17.855  -0.140
  118    HZ3  LYS  17           HZ3      LYS  17 -15.324  19.394  -0.671
  119    H    GLU  18           H        GLU  18 -18.199  13.894   4.748
  120    HA   GLU  18           HA       GLU  18 -20.345  14.482   6.546
  121    HB2  GLU  18           HB2      GLU  18 -18.558  12.058   6.203
  122    HB3  GLU  18           HB3      GLU  18 -19.798  12.122   7.452
  123    HG2  GLU  18           HG2      GLU  18 -20.347  12.467   4.476
  124    HG3  GLU  18           HG3      GLU  18 -20.521  10.966   5.378
  125    H    VAL  19           H        VAL  19 -16.820  14.009   7.291
  126    HA   VAL  19           HA       VAL  19 -17.133  14.319  10.120
  127    HB   VAL  19           HB       VAL  19 -14.763  15.274   8.460
  128   HG11  VAL  19          HG11      VAL  19 -14.666  16.293  10.686
  129   HG12  VAL  19          HG12      VAL  19 -15.103  14.754  11.451
  130   HG13  VAL  19          HG13      VAL  19 -13.528  14.939  10.662
  131   HG21  VAL  19          HG21      VAL  19 -15.175  12.824   8.209
  132   HG22  VAL  19          HG22      VAL  19 -13.696  13.187   9.072
  133   HG23  VAL  19          HG23      VAL  19 -15.151  12.658   9.971
  134    H    CYS  20           H        CYS  20 -16.524  16.850   7.621
  135    HA   CYS  20           HA       CYS  20 -16.549  19.127   9.267
  136    HB2  CYS  20           HB2      CYS  20 -15.876  19.181   6.954
  137    HB3  CYS  20           HB3      CYS  20 -17.479  18.678   6.391
  138    HG   CYS  20           HG       CYS  20 -16.880  21.374   8.212
  139    H    GLU  21           H        GLU  21 -19.358  17.546   7.710
  140    HA   GLU  21           HA       GLU  21 -21.327  19.323   8.776
  141    HB2  GLU  21           HB2      GLU  21 -21.537  17.927   6.717
  142    HB3  GLU  21           HB3      GLU  21 -21.623  16.480   7.719
  143    HG2  GLU  21           HG2      GLU  21 -23.848  17.074   7.059
  144    HG3  GLU  21           HG3      GLU  21 -23.713  17.382   8.784
  145    H    LYS  22           H        LYS  22 -20.557  15.910   9.738
  146    HA   LYS  22           HA       LYS  22 -22.563  15.849  11.786
  147    HB2  LYS  22           HB2      LYS  22 -21.637  13.980  10.348
  148    HB3  LYS  22           HB3      LYS  22 -20.192  13.968  11.355
  149    HG2  LYS  22           HG2      LYS  22 -22.932  13.667  12.626
  150    HG3  LYS  22           HG3      LYS  22 -22.254  12.318  11.727
  151    HD2  LYS  22           HD2      LYS  22 -20.334  12.157  13.180
  152    HD3  LYS  22           HD3      LYS  22 -20.812  13.623  14.074
  153    HE2  LYS  22           HE2      LYS  22 -22.943  12.508  14.730
  154    HE3  LYS  22           HE3      LYS  22 -22.441  11.045  13.877
  155    HZ1  LYS  22           HZ1      LYS  22 -21.031  12.229  16.212
  156    HZ2  LYS  22           HZ2      LYS  22 -21.961  10.886  16.239
  157    HZ3  LYS  22           HZ3      LYS  22 -20.552  10.879  15.414
  158    H    PHE  23           H        PHE  23 -19.006  16.236  11.955
  159    HA   PHE  23           HA       PHE  23 -19.019  16.408  14.887
  160    HB2  PHE  23           HB2      PHE  23 -17.255  15.330  13.322
  161    HB3  PHE  23           HB3      PHE  23 -16.707  16.972  13.013
  162    HD1  PHE  23           HD2      PHE  23 -17.089  14.327  15.598
  163    HD2  PHE  23           HD1      PHE  23 -15.466  18.205  14.680
  164    HE1  PHE  23           HE2      PHE  23 -15.660  14.204  17.620
  165    HE2  PHE  23           HE1      PHE  23 -14.018  18.084  16.682
  166    HZ   PHE  23           HZ       PHE  23 -14.140  16.094  18.188
  167    H    GLU  24           H        GLU  24 -19.456  18.651  12.307
  168    HA   GLU  24           HA       GLU  24 -19.816  20.865  12.199
  169    HB2  GLU  24           HB2      GLU  24 -20.041  20.793  15.237
  170    HB3  GLU  24           HB3      GLU  24 -20.561  22.098  14.170
  171    HG2  GLU  24           HG2      GLU  24 -22.144  20.557  13.043
  172    HG3  GLU  24           HG3      GLU  24 -21.687  19.273  14.169
  173    H    CYS  25           H        CYS  25 -17.432  20.529  11.559
  174    HA   CYS  25           HA       CYS  25 -15.804  22.726  12.679
  175    HB2  CYS  25           HB2      CYS  25 -15.009  19.781  12.701
  176    HB3  CYS  25           HB3      CYS  25 -13.775  21.048  12.638
  177    HG   CYS  25           HG       CYS  25 -16.265  21.220  14.755
  178    H    THR  26           H        THR  26 -13.746  23.007  11.254
  179    HA   THR  26           HA       THR  26 -14.629  23.145   8.476
  180    HB   THR  26           HB       THR  26 -12.392  24.171   8.074
  181    HG1  THR  26           HG1      THR  26 -11.111  24.575   9.862
  182   HG21  THR  26          HG21      THR  26 -14.350  25.561   8.727
  183   HG22  THR  26          HG22      THR  26 -13.909  25.376  10.439
  184   HG23  THR  26          HG23      THR  26 -12.822  26.235   9.325
  185    H    GLU  27           H        GLU  27 -13.783  22.147   6.692
  186    HA   GLU  27           HA       GLU  27 -12.867  19.437   6.864
  187    HB2  GLU  27           HB2      GLU  27 -12.649  21.465   4.586
  188    HB3  GLU  27           HB3      GLU  27 -12.315  19.734   4.437
  189    HG2  GLU  27           HG2      GLU  27 -14.663  19.217   5.039
  190    HG3  GLU  27           HG3      GLU  27 -15.007  20.942   5.203
  191    H    SER  28           H        SER  28 -11.099  22.519   6.379
  192    HA   SER  28           HA       SER  28  -8.550  21.519   5.779
  193    HB2  SER  28           HB2      SER  28  -7.753  23.733   6.656
  194    HB3  SER  28           HB3      SER  28  -9.079  23.838   5.490
  195    HG   SER  28           HG       SER  28  -9.390  25.198   7.326
  196    H    GLU  29           H        GLU  29 -10.046  21.857   9.031
  197    HA   GLU  29           HA       GLU  29  -7.521  21.177  10.345
  198    HB2  GLU  29           HB2      GLU  29 -10.350  21.494  11.371
  199    HB3  GLU  29           HB3      GLU  29  -8.980  21.038  12.398
  200    HG2  GLU  29           HG2      GLU  29  -8.994  23.582  10.735
  201    HG3  GLU  29           HG3      GLU  29  -9.568  23.494  12.395
  202    H    VAL  30           H        VAL  30 -10.136  19.308   8.984
  203    HA   VAL  30           HA       VAL  30  -9.491  16.812  10.385
  204    HB   VAL  30           HB       VAL  30 -10.868  17.152   7.679
  205   HG11  VAL  30          HG11      VAL  30 -11.819  14.912   8.168
  206   HG12  VAL  30          HG12      VAL  30 -10.063  14.859   8.032
  207   HG13  VAL  30          HG13      VAL  30 -10.827  14.818   9.639
  208   HG21  VAL  30          HG21      VAL  30 -12.130  16.870  10.434
  209   HG22  VAL  30          HG22      VAL  30 -12.145  18.342   9.452
  210   HG23  VAL  30          HG23      VAL  30 -12.992  16.910   8.881
  211    H    MET  31           H        MET  31  -8.710  18.306   7.209
  212    HA   MET  31           HA       MET  31  -6.818  16.331   6.367
  213    HB2  MET  31           HB2      MET  31  -6.973  19.300   5.674
  214    HB3  MET  31           HB3      MET  31  -6.024  18.093   4.815
  215    HG2  MET  31           HG2      MET  31  -9.049  18.272   5.012
  216    HG3  MET  31           HG3      MET  31  -8.055  18.489   3.586
  217    HE1  MET  31           HE1      MET  31  -6.657  16.485   2.449
  218    HE2  MET  31           HE2      MET  31  -6.003  15.880   3.994
  219    HE3  MET  31           HE3      MET  31  -6.832  14.779   2.901
  220    H    ASN  32           H        ASN  32  -6.221  19.463   8.091
  221    HA   ASN  32           HA       ASN  32  -3.436  19.123   8.382
  222    HB2  ASN  32           HB2      ASN  32  -5.461  20.516  10.183
  223    HB3  ASN  32           HB3      ASN  32  -3.726  20.594  10.440
  224   HD21  ASN  32          HD22      ASN  32  -5.435  22.892   9.926
  225   HD22  ASN  32          HD21      ASN  32  -4.818  23.591   8.434
  226    H    SER  33           H        SER  33  -6.033  17.924  10.628
  227    HA   SER  33           HA       SER  33  -4.240  16.773  12.527
  228    HB2  SER  33           HB2      SER  33  -6.973  15.685  11.760
  229    HB3  SER  33           HB3      SER  33  -6.063  15.382  13.254
  230    HG   SER  33           HG       SER  33  -7.256  17.831  12.360
  231    H    LEU  34           H        LEU  34  -5.028  15.600   9.317
  232    HA   LEU  34           HA       LEU  34  -3.883  12.912   9.874
  233    HB2  LEU  34           HB2      LEU  34  -5.423  14.099   7.534
  234    HB3  LEU  34           HB3      LEU  34  -4.776  12.464   7.549
  235    HG   LEU  34           HG       LEU  34  -6.780  13.465   9.637
  236   HD11  LEU  34          HD11      LEU  34  -7.322  11.826   7.136
  237   HD12  LEU  34          HD12      LEU  34  -8.507  12.318   8.372
  238   HD13  LEU  34          HD13      LEU  34  -7.745  13.542   7.341
  239   HD21  LEU  34          HD21      LEU  34  -7.160  11.041  10.005
  240   HD22  LEU  34          HD22      LEU  34  -5.877  10.656   8.842
  241   HD23  LEU  34          HD23      LEU  34  -5.484  11.487  10.360
  242    H    TYR  35           H        TYR  35  -2.951  15.965   8.465
  243    HA   TYR  35           HA       TYR  35  -0.613  14.728   7.065
  244    HB2  TYR  35           HB2      TYR  35  -1.774  17.538   7.101
  245    HB3  TYR  35           HB3      TYR  35  -0.247  17.137   6.345
  246    HD1  TYR  35           HD1      TYR  35  -0.721  14.641   4.875
  247    HD2  TYR  35           HD2      TYR  35  -3.218  18.129   5.342
  248    HE1  TYR  35           HE1      TYR  35  -1.765  14.185   2.681
  249    HE2  TYR  35           HE2      TYR  35  -4.238  17.698   3.121
  250    HH   TYR  35           HH       TYR  35  -4.276  16.326   1.273
  251    H    SER  36           H        SER  36  -1.272  17.254   9.488
  252    HA   SER  36           HA       SER  36   1.607  17.279  10.327
  253    HB2  SER  36           HB2      SER  36  -0.594  19.343  10.734
  254    HB3  SER  36           HB3      SER  36   1.107  19.516  11.187
  255    HG   SER  36           HG       SER  36   0.688  20.522   9.177
  256    H    GLY  37           H        GLY  37  -1.627  16.565  11.518
  257    HA2  GLY  37           HA2      GLY  37  -0.769  16.401  14.357
  258    HA3  GLY  37           HA3      GLY  37  -2.378  16.071  13.689
  259    H    ASP  38           H        ASP  38  -2.535  14.179  14.816
  260    HA   ASP  38           HA       ASP  38  -1.159  11.837  13.619
  261    HB2  ASP  38           HB2      ASP  38   0.000  12.457  15.737
  262    HB3  ASP  38           HB3      ASP  38  -1.527  12.321  16.605
  263    HA   PRO  39           HA       PRO  39  -5.328  10.229  13.342
  264    HB2  PRO  39           HB2      PRO  39  -4.067   7.620  14.184
  265    HB3  PRO  39           HB3      PRO  39  -5.276   7.917  12.893
  266    HG2  PRO  39           HG2      PRO  39  -2.677   7.677  12.232
  267    HG3  PRO  39           HG3      PRO  39  -3.642   9.019  11.525
  268    HD2  PRO  39           HD2      PRO  39  -1.728   9.098  13.863
  269    HD3  PRO  39           HD3      PRO  39  -1.887  10.236  12.490
  270    H    GLN  40           H        GLN  40  -4.124  10.801  16.280
  271    HA   GLN  40           HA       GLN  40  -6.296   9.463  17.835
  272    HB2  GLN  40           HB2      GLN  40  -4.956   9.639  19.781
  273    HB3  GLN  40           HB3      GLN  40  -3.914   8.972  18.526
  274    HG2  GLN  40           HG2      GLN  40  -3.047  11.369  18.164
  275    HG3  GLN  40           HG3      GLN  40  -3.933  11.824  19.618
  276   HE21  GLN  40          HE22      GLN  40  -1.340   9.671  18.394
  277   HE22  GLN  40          HE21      GLN  40  -0.522   9.516  19.956
  278    H    ASP  41           H        ASP  41  -5.349  12.430  16.415
  279    HA   ASP  41           HA       ASP  41  -6.519  14.277  18.314
  280    HB2  ASP  41           HB2      ASP  41  -5.916  14.447  15.339
  281    HB3  ASP  41           HB3      ASP  41  -6.608  15.777  16.267
  282    H    GLN  42           H        GLN  42  -8.570  15.082  18.408
  283    HA   GLN  42           HA       GLN  42 -10.686  13.361  18.043
  284    HB2  GLN  42           HB2      GLN  42 -12.118  15.101  18.696
  285    HB3  GLN  42           HB3      GLN  42 -10.599  15.363  19.535
  286    HG2  GLN  42           HG2      GLN  42 -11.659  16.937  17.143
  287    HG3  GLN  42           HG3      GLN  42 -11.615  17.467  18.812
  288   HE21  GLN  42          HE22      GLN  42  -9.443  17.909  19.821
  289   HE22  GLN  42          HE21      GLN  42  -8.112  18.318  18.747
  290    H    LEU  43           H        LEU  43  -9.706  15.794  15.593
  291    HA   LEU  43           HA       LEU  43 -12.024  15.190  13.911
  292    HB2  LEU  43           HB2      LEU  43  -9.458  16.774  13.594
  293    HB3  LEU  43           HB3      LEU  43 -10.616  16.606  12.270
  294    HG   LEU  43           HG       LEU  43 -11.316  17.774  14.992
  295   HD11  LEU  43          HD11      LEU  43 -11.219  19.960  13.882
  296   HD12  LEU  43          HD12      LEU  43  -9.640  19.160  13.817
  297   HD13  LEU  43          HD13      LEU  43 -10.684  19.186  12.373
  298   HD21  LEU  43          HD21      LEU  43 -13.301  18.637  13.882
  299   HD22  LEU  43          HD22      LEU  43 -12.817  17.925  12.338
  300   HD23  LEU  43          HD23      LEU  43 -13.277  16.883  13.694
  301    H    ALA  44           H        ALA  44  -8.690  13.974  14.048
  302    HA   ALA  44           HA       ALA  44  -8.953  12.375  11.603
  303    HB1  ALA  44           HB1      ALA  44  -6.897  11.321  12.408
  304    HB2  ALA  44           HB2      ALA  44  -6.753  13.081  12.473
  305    HB3  ALA  44           HB3      ALA  44  -7.024  12.153  13.969
  306    H    VAL  45           H        VAL  45  -9.431  11.838  15.092
  307    HA   VAL  45           HA       VAL  45 -10.352   9.133  14.942
  308    HB   VAL  45           HB       VAL  45 -10.859  11.368  16.931
  309   HG11  VAL  45          HG11      VAL  45 -11.719   9.605  18.493
  310   HG12  VAL  45          HG12      VAL  45 -12.811   9.962  17.156
  311   HG13  VAL  45          HG13      VAL  45 -11.813   8.481  17.118
  312   HG21  VAL  45          HG21      VAL  45  -8.562  10.412  16.811
  313   HG22  VAL  45          HG22      VAL  45  -9.352  10.052  18.352
  314   HG23  VAL  45          HG23      VAL  45  -9.228   8.794  17.109
  315    H    ALA  46           H        ALA  46 -12.278  12.241  14.828
  316    HA   ALA  46           HA       ALA  46 -14.783  11.099  14.253
  317    HB1  ALA  46           HB1      ALA  46 -15.348  13.285  13.353
  318    HB2  ALA  46           HB2      ALA  46 -14.350  13.482  14.801
  319    HB3  ALA  46           HB3      ALA  46 -13.628  13.712  13.191
  320    H    TYR  47           H        TYR  47 -12.208  12.002  11.864
  321    HA   TYR  47           HA       TYR  47 -13.501  11.003   9.537
  322    HB2  TYR  47           HB2      TYR  47 -11.535  12.287   9.261
  323    HB3  TYR  47           HB3      TYR  47 -10.605  11.293  10.355
  324    HD1  TYR  47           HD1      TYR  47 -12.342  11.191   7.033
  325    HD2  TYR  47           HD2      TYR  47  -9.301   9.495   9.582
  326    HE1  TYR  47           HE1      TYR  47 -11.589   9.735   5.164
  327    HE2  TYR  47           HE2      TYR  47  -8.531   8.048   7.712
  328    HH   TYR  47           HH       TYR  47 -10.159   8.028   4.528
  329    H    HIS  48           H        HIS  48 -11.506   9.128  11.896
  330    HA   HIS  48           HA       HIS  48 -11.899   6.623  10.583
  331    HB2  HIS  48           HB2      HIS  48 -10.333   7.277  12.558
  332    HB3  HIS  48           HB3      HIS  48 -11.697   6.867  13.594
  333    HD1  HIS  48           HD1      HIS  48 -12.709   4.120  12.583
  334    HD2  HIS  48           HD2      HIS  48  -8.678   5.354  12.376
  335    HE1  HIS  48           HE1      HIS  48 -11.334   2.017  12.361
  336    H    LEU  49           H        LEU  49 -13.971   8.146  13.158
  337    HA   LEU  49           HA       LEU  49 -15.888   6.016  13.221
  338    HB2  LEU  49           HB2      LEU  49 -16.004   8.954  14.036
  339    HB3  LEU  49           HB3      LEU  49 -17.430   7.950  14.073
  340    HG   LEU  49           HG       LEU  49 -16.710   8.004  16.246
  341   HD11  LEU  49          HD11      LEU  49 -17.348   5.724  15.439
  342   HD12  LEU  49          HD12      LEU  49 -15.617   5.333  15.289
  343   HD13  LEU  49          HD13      LEU  49 -16.305   5.724  16.873
  344   HD21  LEU  49          HD21      LEU  49 -14.484   7.463  17.089
  345   HD22  LEU  49          HD22      LEU  49 -13.892   7.226  15.436
  346   HD23  LEU  49          HD23      LEU  49 -14.453   8.836  15.979
  347    H    ILE  50           H        ILE  50 -15.860   8.993  11.200
  348    HA   ILE  50           HA       ILE  50 -18.337   8.392   9.845
  349    HB   ILE  50           HB       ILE  50 -15.983  10.228   9.452
  350   HG12  ILE  50          HG12      ILE  50 -17.791  11.895   9.175
  351   HG13  ILE  50          HG13      ILE  50 -18.999  10.615   9.275
  352   HG21  ILE  50          HG21      ILE  50 -16.182   9.382   7.167
  353   HG22  ILE  50          HG22      ILE  50 -17.943   9.671   7.189
  354   HG23  ILE  50          HG23      ILE  50 -16.794  11.022   7.299
  355   HD11  ILE  50          HD11      ILE  50 -18.872  11.893  11.320
  356   HD12  ILE  50          HD12      ILE  50 -18.370  10.225  11.640
  357   HD13  ILE  50          HD13      ILE  50 -17.151  11.528  11.504
  358    H    ILE  51           H        ILE  51 -14.984   7.429   9.071
  359    HA   ILE  51           HA       ILE  51 -15.705   6.016   6.634
  360    HB   ILE  51           HB       ILE  51 -13.319   5.996   8.505
  361   HG12  ILE  51          HG12      ILE  51 -13.733   7.981   6.942
  362   HG13  ILE  51          HG13      ILE  51 -12.166   7.197   6.868
  363   HG21  ILE  51          HG21      ILE  51 -12.086   4.645   6.780
  364   HG22  ILE  51          HG22      ILE  51 -13.279   3.764   7.727
  365   HG23  ILE  51          HG23      ILE  51 -13.660   4.235   6.056
  366   HD11  ILE  51          HD11      ILE  51 -12.770   6.081   4.758
  367   HD12  ILE  51          HD12      ILE  51 -14.407   6.780   4.856
  368   HD13  ILE  51          HD13      ILE  51 -12.990   7.825   4.637
  369    H    ASP  52           H        ASP  52 -15.453   4.937  10.047
  370    HA   ASP  52           HA       ASP  52 -16.274   2.209   9.567
  371    HB2  ASP  52           HB2      ASP  52 -16.602   3.979  12.019
  372    HB3  ASP  52           HB3      ASP  52 -16.882   2.243  11.969
  373    H    ASN  53           H        ASN  53 -18.183   5.185  10.216
  374    HA   ASN  53           HA       ASN  53 -20.738   3.951  10.242
  375    HB2  ASN  53           HB2      ASN  53 -20.309   6.276  10.975
  376    HB3  ASN  53           HB3      ASN  53 -20.030   6.761   9.309
  377   HD21  ASN  53          HD22      ASN  53 -22.488   5.788  11.674
  378   HD22  ASN  53          HD21      ASN  53 -23.856   6.191  10.656
  379    H    ARG  54           H        ARG  54 -19.075   5.495   7.432
  380    HA   ARG  54           HA       ARG  54 -20.973   4.729   5.468
  381    HB2  ARG  54           HB2      ARG  54 -17.981   5.226   5.273
  382    HB3  ARG  54           HB3      ARG  54 -19.031   5.028   3.863
  383    HG2  ARG  54           HG2      ARG  54 -20.318   7.012   4.425
  384    HG3  ARG  54           HG3      ARG  54 -19.492   7.173   5.978
  385    HD2  ARG  54           HD2      ARG  54 -18.439   8.745   4.595
  386    HD3  ARG  54           HD3      ARG  54 -17.313   7.391   4.719
  387    HE   ARG  54           HE       ARG  54 -19.155   7.946   2.388
  388   HH11  ARG  54          HH11      ARG  54 -16.042   6.545   3.411
  389   HH12  ARG  54          HH12      ARG  54 -15.492   6.449   1.762
  390   HH21  ARG  54          HH21      ARG  54 -18.305   7.810   0.319
  391   HH22  ARG  54          HH22      ARG  54 -16.658   7.242   0.123
  392    H    ARG  55           H        ARG  55 -18.009   3.027   6.477
  393    HA   ARG  55           HA       ARG  55 -18.256   0.872   4.623
  394    HB2  ARG  55           HB2      ARG  55 -16.177   1.665   5.727
  395    HB3  ARG  55           HB3      ARG  55 -16.730   0.949   7.252
  396    HG2  ARG  55           HG2      ARG  55 -16.701  -1.302   6.170
  397    HG3  ARG  55           HG3      ARG  55 -16.233  -0.538   4.646
  398    HD2  ARG  55           HD2      ARG  55 -14.245  -1.425   5.546
  399    HD3  ARG  55           HD3      ARG  55 -14.135   0.312   5.799
  400    HE   ARG  55           HE       ARG  55 -14.467  -1.840   7.803
  401   HH11  ARG  55          HH21      ARG  55 -14.344   1.713   7.427
  402   HH12  ARG  55          HH22      ARG  55 -14.065   1.892   9.158
  403   HH21  ARG  55          HH11      ARG  55 -14.006  -1.378   9.991
  404   HH22  ARG  55          HH12      ARG  55 -13.912   0.309  10.473
  405    H    ILE  56           H        ILE  56 -19.130   0.972   8.120
  406    HA   ILE  56           HA       ILE  56 -20.307  -1.783   7.864
  407    HB   ILE  56           HB       ILE  56 -19.143  -0.319  10.275
  408   HG12  ILE  56          HG12      ILE  56 -18.117  -2.685   8.630
  409   HG13  ILE  56          HG13      ILE  56 -17.444  -1.056   8.638
  410   HG21  ILE  56          HG21      ILE  56 -20.235  -3.166  10.092
  411   HG22  ILE  56          HG22      ILE  56 -19.446  -2.436  11.510
  412   HG23  ILE  56          HG23      ILE  56 -20.990  -1.828  10.979
  413   HD11  ILE  56          HD11      ILE  56 -17.367  -3.011  10.959
  414   HD12  ILE  56          HD12      ILE  56 -16.031  -2.457   9.955
  415   HD13  ILE  56          HD13      ILE  56 -16.845  -1.307  11.041
  416    H    MET  57           H        MET  57 -21.082   1.416   9.279
  417    HA   MET  57           HA       MET  57 -23.501   0.296  10.540
  418    HB2  MET  57           HB2      MET  57 -22.714   3.213  10.403
  419    HB3  MET  57           HB3      MET  57 -23.798   2.439  11.546
  420    HG2  MET  57           HG2      MET  57 -21.919   1.180  12.537
  421    HG3  MET  57           HG3      MET  57 -20.798   1.904  11.381
  422    HE1  MET  57           HE1      MET  57 -19.097   2.981  12.871
  423    HE2  MET  57           HE2      MET  57 -19.480   3.751  14.420
  424    HE3  MET  57           HE3      MET  57 -19.863   2.031  14.165
  425    H    ASN  58           H        ASN  58 -22.811   2.011   7.603
  426    HA   ASN  58           HA       ASN  58 -24.966   3.579   7.134
  427    HB2  ASN  58           HB2      ASN  58 -22.946   3.428   5.748
  428    HB3  ASN  58           HB3      ASN  58 -23.469   1.866   5.116
  429   HD21  ASN  58          HD22      ASN  58 -23.109   3.075   3.016
  430   HD22  ASN  58          HD21      ASN  58 -24.465   4.006   2.399
  431    H    GLN  59           H        GLN  59 -27.067   3.311   7.131
  432    HA   GLN  59           HA       GLN  59 -28.468   1.169   5.712
  433    HB2  GLN  59           HB2      GLN  59 -29.538   0.169   7.629
  434    HB3  GLN  59           HB3      GLN  59 -27.801   0.085   7.860
  435    HG2  GLN  59           HG2      GLN  59 -28.036   2.225   9.310
  436    HG3  GLN  59           HG3      GLN  59 -29.773   1.961   9.231
  437   HE21  GLN  59          HE22      GLN  59 -26.676   0.555  10.315
  438   HE22  GLN  59          HE21      GLN  59 -27.395  -0.535  11.509
  439    H    ALA  60           H        ALA  60 -30.872   1.388   5.905
  440    HA   ALA  60           HA       ALA  60 -31.686   4.172   5.651
  441    HB1  ALA  60           HB1      ALA  60 -33.854   3.179   5.035
  442    HB2  ALA  60           HB2      ALA  60 -32.535   2.382   4.165
  443    HB3  ALA  60           HB3      ALA  60 -33.290   1.577   5.560
  444    H    SER  61           H        SER  61 -33.513   5.133   6.776
  445    HA   SER  61           HA       SER  61 -33.353   4.801   9.681
  446    HB2  SER  61           HB2      SER  61 -34.877   6.781   9.659
  447    HB3  SER  61           HB3      SER  61 -33.355   7.020   8.790
  448    HG   SER  61           HG       SER  61 -35.192   7.809   7.622
  449    H    GLU  62           H        GLU  62 -35.333   3.352   7.327
  450    HA   GLU  62           HA       GLU  62 -37.133   2.165   9.298
  451    HB2  GLU  62           HB2      GLU  62 -38.243   4.344   8.792
  452    HB3  GLU  62           HB3      GLU  62 -38.303   3.904   7.084
  453    HG2  GLU  62           HG2      GLU  62 -39.749   1.966   7.639
  454    HG3  GLU  62           HG3      GLU  62 -39.613   2.345   9.360
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   6.755  -0.428  -2.681
    2    H2   GLY   1           H2       GLY   1   7.641   0.597  -1.758
    3    H3   GLY   1           H3       GLY   1   7.018  -0.771  -1.104
    4    HA2  GLY   1           HA2      GLY   1   5.743   1.157  -0.402
    5    HA3  GLY   1           HA3      GLY   1   5.453   1.527  -2.109
    6    HA   PRO   2           HA       PRO   2   1.853  -0.883  -0.289
    7    HB2  PRO   2           HB2      PRO   2   0.464   1.083  -2.119
    8    HB3  PRO   2           HB3      PRO   2  -0.056   0.463  -0.519
    9    HG2  PRO   2           HG2      PRO   2   1.051   2.924  -0.734
   10    HG3  PRO   2           HG3      PRO   2   1.536   1.845   0.610
   11    HD2  PRO   2           HD2      PRO   2   2.992   2.376  -1.989
   12    HD3  PRO   2           HD3      PRO   2   3.644   2.292  -0.322
   13    H    HIS   3           H        HIS   3   1.049  -2.712  -1.235
   14    HA   HIS   3           HA       HIS   3   1.748  -3.279  -4.049
   15    HB2  HIS   3           HB2      HIS   3   0.573  -4.972  -1.807
   16    HB3  HIS   3           HB3      HIS   3   0.966  -5.569  -3.408
   17    HD1  HIS   3           HD1      HIS   3   3.619  -3.241  -1.928
   18    HD2  HIS   3           HD2      HIS   3   2.637  -7.325  -2.191
   19    HE1  HIS   3           HE1      HIS   3   5.711  -4.515  -1.274
   20    H    MET   4           H        MET   4  -0.935  -1.909  -2.585
   21    HA   MET   4           HA       MET   4  -3.117  -3.179  -3.973
   22    HB2  MET   4           HB2      MET   4  -2.978  -0.450  -2.612
   23    HB3  MET   4           HB3      MET   4  -4.434  -1.312  -3.089
   24    HG2  MET   4           HG2      MET   4  -4.290  -1.718  -0.815
   25    HG3  MET   4           HG3      MET   4  -3.680  -3.205  -1.536
   26    HE1  MET   4           HE1      MET   4  -1.758  -2.937   1.864
   27    HE2  MET   4           HE2      MET   4  -3.434  -2.462   1.523
   28    HE3  MET   4           HE3      MET   4  -2.774  -3.953   0.813
   29    H    SER   5           H        SER   5  -4.452  -2.343  -5.645
   30    HA   SER   5           HA       SER   5  -3.163  -0.888  -7.784
   31    HB2  SER   5           HB2      SER   5  -6.114  -1.486  -7.358
   32    HB3  SER   5           HB3      SER   5  -5.343  -1.012  -8.879
   33    HG   SER   5           HG       SER   5  -5.647  -3.284  -8.735
   34    H    TYR   6           H        TYR   6  -5.099   0.136  -5.053
   35    HA   TYR   6           HA       TYR   6  -5.373   2.929  -6.042
   36    HB2  TYR   6           HB2      TYR   6  -6.799   3.221  -4.049
   37    HB3  TYR   6           HB3      TYR   6  -7.394   2.013  -5.168
   38    HD1  TYR   6           HD2      TYR   6  -5.824   2.535  -1.834
   39    HD2  TYR   6           HD1      TYR   6  -7.613  -0.322  -4.529
   40    HE1  TYR   6           HE2      TYR   6  -5.994   0.889   0.022
   41    HE2  TYR   6           HE1      TYR   6  -7.783  -1.968  -2.680
   42    HH   TYR   6           HH       TYR   6  -7.396  -2.377  -0.458
   43    H    ASP   7           H        ASP   7  -4.760   4.695  -4.606
   44    HA   ASP   7           HA       ASP   7  -2.126   4.321  -3.393
   45    HB2  ASP   7           HB2      ASP   7  -2.597   6.275  -4.765
   46    HB3  ASP   7           HB3      ASP   7  -3.929   6.748  -3.705
   47    H    ALA   8           H        ALA   8  -1.625   4.207  -1.261
   48    HA   ALA   8           HA       ALA   8  -3.787   3.723   0.652
   49    HB1  ALA   8           HB1      ALA   8  -1.790   2.268   0.453
   50    HB2  ALA   8           HB2      ALA   8  -0.753   3.627   0.958
   51    HB3  ALA   8           HB3      ALA   8  -1.953   2.950   2.079
   52    H    ASN   9           H        ASN   9  -1.929   6.543  -0.125
   53    HA   ASN   9           HA       ASN   9  -2.024   7.651   2.618
   54    HB2  ASN   9           HB2      ASN   9   0.056   7.746   1.295
   55    HB3  ASN   9           HB3      ASN   9  -0.764   8.682   0.043
   56   HD21  ASN   9          HD22      ASN   9   0.199   8.755   3.526
   57   HD22  ASN   9          HD21      ASN   9   0.244  10.506   3.614
   58    H    VAL  10           H        VAL  10  -3.439   8.289  -0.602
   59    HA   VAL  10           HA       VAL  10  -4.536  10.804  -0.105
   60    HB   VAL  10           HB       VAL  10  -4.381   9.680  -2.302
   61   HG11  VAL  10          HG11      VAL  10  -5.425   7.490  -1.710
   62   HG12  VAL  10          HG12      VAL  10  -7.007   8.291  -1.620
   63   HG13  VAL  10          HG13      VAL  10  -6.121   8.233  -3.153
   64   HG21  VAL  10          HG21      VAL  10  -6.302  10.762  -3.305
   65   HG22  VAL  10          HG22      VAL  10  -7.143  10.816  -1.745
   66   HG23  VAL  10          HG23      VAL  10  -5.667  11.774  -1.995
   67    H    ILE  11           H        ILE  11  -6.424  11.662   0.660
   68    HA   ILE  11           HA       ILE  11  -7.919   9.996   2.608
   69    HB   ILE  11           HB       ILE  11  -6.714  12.429   2.878
   70   HG12  ILE  11          HG12      ILE  11  -8.106  12.825   4.888
   71   HG13  ILE  11          HG13      ILE  11  -9.170  11.518   4.386
   72   HG21  ILE  11          HG21      ILE  11  -9.631  13.166   2.435
   73   HG22  ILE  11          HG22      ILE  11  -8.309  14.231   2.943
   74   HG23  ILE  11          HG23      ILE  11  -8.303  13.542   1.307
   75   HD11  ILE  11          HD11      ILE  11  -6.181  11.268   5.015
   76   HD12  ILE  11          HD12      ILE  11  -7.508  10.787   6.093
   77   HD13  ILE  11          HD13      ILE  11  -7.243   9.906   4.596
   78    H    ASP  12           H        ASP  12 -10.175  10.038   2.872
   79    HA   ASP  12           HA       ASP  12 -11.606   9.992   0.304
   80    HB2  ASP  12           HB2      ASP  12 -12.267   9.135   3.118
   81    HB3  ASP  12           HB3      ASP  12 -13.479   9.186   1.846
   82    H    ASP  13           H        ASP  13 -12.184  11.900  -0.453
   83    HA   ASP  13           HA       ASP  13 -12.661  14.266   0.959
   84    HB2  ASP  13           HB2      ASP  13 -12.126  14.075  -1.453
   85    HB3  ASP  13           HB3      ASP  13 -13.725  13.397  -1.762
   86    H    GLU  14           H        GLU  14 -15.026  11.794  -0.052
   87    HA   GLU  14           HA       GLU  14 -17.410  13.132   0.833
   88    HB2  GLU  14           HB2      GLU  14 -16.778  10.161   0.708
   89    HB3  GLU  14           HB3      GLU  14 -18.385  10.853   0.953
   90    HG2  GLU  14           HG2      GLU  14 -18.201  11.998  -1.262
   91    HG3  GLU  14           HG3      GLU  14 -16.669  11.160  -1.545
   92    H    ALA  15           H        ALA  15 -15.138  10.925   2.551
   93    HA   ALA  15           HA       ALA  15 -16.606  10.902   5.030
   94    HB1  ALA  15           HB1      ALA  15 -13.643  10.380   4.475
   95    HB2  ALA  15           HB2      ALA  15 -14.532   9.935   5.938
   96    HB3  ALA  15           HB3      ALA  15 -14.951   9.181   4.384
   97    H    VAL  16           H        VAL  16 -13.767  12.851   3.947
   98    HA   VAL  16           HA       VAL  16 -13.583  14.470   6.288
   99    HB   VAL  16           HB       VAL  16 -12.914  15.162   3.400
  100   HG11  VAL  16          HG11      VAL  16 -12.285  16.731   5.937
  101   HG12  VAL  16          HG12      VAL  16 -11.524  17.011   4.362
  102   HG13  VAL  16          HG13      VAL  16 -13.247  17.292   4.554
  103   HG21  VAL  16          HG21      VAL  16 -11.182  14.381   5.797
  104   HG22  VAL  16          HG22      VAL  16 -11.541  13.353   4.401
  105   HG23  VAL  16          HG23      VAL  16 -10.581  14.816   4.184
  106    H    LYS  17           H        LYS  17 -15.662  14.991   3.364
  107    HA   LYS  17           HA       LYS  17 -16.919  17.377   4.290
  108    HB2  LYS  17           HB2      LYS  17 -16.939  16.547   1.990
  109    HB3  LYS  17           HB3      LYS  17 -17.960  15.190   2.433
  110    HG2  LYS  17           HG2      LYS  17 -18.839  18.058   2.958
  111    HG3  LYS  17           HG3      LYS  17 -18.951  17.384   1.344
  112    HD2  LYS  17           HD2      LYS  17 -20.384  16.225   3.770
  113    HD3  LYS  17           HD3      LYS  17 -21.080  17.298   2.564
  114    HE2  LYS  17           HE2      LYS  17 -20.574  15.638   0.777
  115    HE3  LYS  17           HE3      LYS  17 -19.924  14.523   1.997
  116    HZ1  LYS  17           HZ1      LYS  17 -22.723  15.520   1.950
  117    HZ2  LYS  17           HZ2      LYS  17 -22.250  14.032   1.468
  118    HZ3  LYS  17           HZ3      LYS  17 -22.106  14.454   3.047
  119    H    GLU  18           H        GLU  18 -17.913  13.929   4.757
  120    HA   GLU  18           HA       GLU  18 -20.172  14.569   6.408
  121    HB2  GLU  18           HB2      GLU  18 -18.450  12.073   6.242
  122    HB3  GLU  18           HB3      GLU  18 -19.857  12.210   7.299
  123    HG2  GLU  18           HG2      GLU  18 -19.911  12.503   4.270
  124    HG3  GLU  18           HG3      GLU  18 -20.380  11.064   5.171
  125    H    VAL  19           H        VAL  19 -16.721  13.990   7.401
  126    HA   VAL  19           HA       VAL  19 -17.200  14.356  10.189
  127    HB   VAL  19           HB       VAL  19 -14.726  15.201   8.658
  128   HG11  VAL  19          HG11      VAL  19 -15.167  14.636  11.627
  129   HG12  VAL  19          HG12      VAL  19 -13.575  14.879  10.879
  130   HG13  VAL  19          HG13      VAL  19 -14.751  16.200  10.928
  131   HG21  VAL  19          HG21      VAL  19 -13.748  13.102   9.126
  132   HG22  VAL  19          HG22      VAL  19 -15.038  12.638  10.250
  133   HG23  VAL  19          HG23      VAL  19 -15.352  12.685   8.524
  134    H    CYS  20           H        CYS  20 -16.508  16.855   7.674
  135    HA   CYS  20           HA       CYS  20 -16.560  19.147   9.353
  136    HB2  CYS  20           HB2      CYS  20 -15.781  19.202   7.062
  137    HB3  CYS  20           HB3      CYS  20 -17.372  18.732   6.437
  138    HG   CYS  20           HG       CYS  20 -16.852  21.379   8.351
  139    H    GLU  21           H        GLU  21 -19.294  17.462   7.736
  140    HA   GLU  21           HA       GLU  21 -21.342  19.214   8.712
  141    HB2  GLU  21           HB2      GLU  21 -21.475  17.713   6.705
  142    HB3  GLU  21           HB3      GLU  21 -21.546  16.321   7.779
  143    HG2  GLU  21           HG2      GLU  21 -23.772  16.835   7.062
  144    HG3  GLU  21           HG3      GLU  21 -23.663  17.212   8.773
  145    H    LYS  22           H        LYS  22 -20.402  15.904   9.812
  146    HA   LYS  22           HA       LYS  22 -22.284  15.702  11.949
  147    HB2  LYS  22           HB2      LYS  22 -19.656  14.319  11.266
  148    HB3  LYS  22           HB3      LYS  22 -20.627  13.819  12.636
  149    HG2  LYS  22           HG2      LYS  22 -21.924  13.954   9.899
  150    HG3  LYS  22           HG3      LYS  22 -20.857  12.603  10.301
  151    HD2  LYS  22           HD2      LYS  22 -22.189  11.975  12.212
  152    HD3  LYS  22           HD3      LYS  22 -23.231  13.411  12.027
  153    HE2  LYS  22           HE2      LYS  22 -23.955  12.593   9.790
  154    HE3  LYS  22           HE3      LYS  22 -22.930  11.162   9.974
  155    HZ1  LYS  22           HZ1      LYS  22 -24.286  10.508  11.882
  156    HZ2  LYS  22           HZ2      LYS  22 -25.216  11.852  11.750
  157    HZ3  LYS  22           HZ3      LYS  22 -25.255  10.711  10.577
  158    H    PHE  23           H        PHE  23 -18.793  16.467  12.017
  159    HA   PHE  23           HA       PHE  23 -18.827  16.751  14.931
  160    HB2  PHE  23           HB2      PHE  23 -17.121  15.572  13.197
  161    HB3  PHE  23           HB3      PHE  23 -16.357  17.152  13.281
  162    HD1  PHE  23           HD2      PHE  23 -17.709  14.337  15.348
  163    HD2  PHE  23           HD1      PHE  23 -14.940  17.630  15.162
  164    HE1  PHE  23           HE2      PHE  23 -16.671  13.571  17.460
  165    HE2  PHE  23           HE1      PHE  23 -13.872  16.853  17.265
  166    HZ   PHE  23           HZ       PHE  23 -14.735  14.824  18.430
  167    H    GLU  24           H        GLU  24 -19.169  18.955  12.362
  168    HA   GLU  24           HA       GLU  24 -19.412  21.157  12.251
  169    HB2  GLU  24           HB2      GLU  24 -19.352  21.194  15.299
  170    HB3  GLU  24           HB3      GLU  24 -19.970  22.455  14.235
  171    HG2  GLU  24           HG2      GLU  24 -21.676  20.863  13.352
  172    HG3  GLU  24           HG3      GLU  24 -21.121  19.648  14.509
  173    H    CYS  25           H        CYS  25 -16.735  20.103  12.201
  174    HA   CYS  25           HA       CYS  25 -15.173  22.608  12.737
  175    HB2  CYS  25           HB2      CYS  25 -14.430  20.263  13.711
  176    HB3  CYS  25           HB3      CYS  25 -13.875  19.957  12.049
  177    HG   CYS  25           HG       CYS  25 -13.126  22.448  14.141
  178    H    THR  26           H        THR  26 -13.233  22.574  10.902
  179    HA   THR  26           HA       THR  26 -14.715  22.850   8.329
  180    HB   THR  26           HB       THR  26 -12.860  24.179   7.531
  181    HG1  THR  26           HG1      THR  26 -11.103  24.540   8.800
  182   HG21  THR  26          HG21      THR  26 -13.044  26.108   8.987
  183   HG22  THR  26          HG22      THR  26 -14.623  25.309   8.905
  184   HG23  THR  26          HG23      THR  26 -13.595  25.103  10.343
  185    H    GLU  27           H        GLU  27 -13.979  21.987   6.395
  186    HA   GLU  27           HA       GLU  27 -12.897  19.359   6.397
  187    HB2  GLU  27           HB2      GLU  27 -12.931  21.451   4.175
  188    HB3  GLU  27           HB3      GLU  27 -12.568  19.741   3.946
  189    HG2  GLU  27           HG2      GLU  27 -14.826  19.126   4.742
  190    HG3  GLU  27           HG3      GLU  27 -15.213  20.829   4.998
  191    H    SER  28           H        SER  28 -11.263  22.541   5.999
  192    HA   SER  28           HA       SER  28  -8.656  21.507   5.405
  193    HB2  SER  28           HB2      SER  28  -7.921  23.794   6.109
  194    HB3  SER  28           HB3      SER  28  -9.191  23.774   4.875
  195    HG   SER  28           HG       SER  28  -9.614  25.302   6.532
  196    H    GLU  29           H        GLU  29 -10.247  22.219   8.581
  197    HA   GLU  29           HA       GLU  29  -7.781  21.632  10.064
  198    HB2  GLU  29           HB2      GLU  29 -10.676  21.994  10.889
  199    HB3  GLU  29           HB3      GLU  29  -9.409  21.554  12.029
  200    HG2  GLU  29           HG2      GLU  29  -9.277  24.066  10.311
  201    HG3  GLU  29           HG3      GLU  29  -9.951  24.012  11.939
  202    H    VAL  30           H        VAL  30 -10.709  19.802   9.133
  203    HA   VAL  30           HA       VAL  30 -10.013  17.363  10.496
  204    HB   VAL  30           HB       VAL  30 -11.634  17.863   7.978
  205   HG11  VAL  30          HG11      VAL  30 -12.536  15.570   8.265
  206   HG12  VAL  30          HG12      VAL  30 -10.821  15.527   7.880
  207   HG13  VAL  30          HG13      VAL  30 -11.357  15.255   9.554
  208   HG21  VAL  30          HG21      VAL  30 -12.513  17.119  10.806
  209   HG22  VAL  30          HG22      VAL  30 -12.547  18.755  10.165
  210   HG23  VAL  30          HG23      VAL  30 -13.560  17.523   9.421
  211    H    MET  31           H        MET  31  -9.200  18.483   7.140
  212    HA   MET  31           HA       MET  31  -7.537  16.244   6.505
  213    HB2  MET  31           HB2      MET  31  -7.564  19.115   5.499
  214    HB3  MET  31           HB3      MET  31  -6.450  17.886   4.891
  215    HG2  MET  31           HG2      MET  31  -8.377  16.435   4.281
  216    HG3  MET  31           HG3      MET  31  -9.475  17.718   4.797
  217    HE1  MET  31           HE1      MET  31  -9.759  17.625   0.856
  218    HE2  MET  31           HE2      MET  31  -9.566  16.280   1.999
  219    HE3  MET  31           HE3      MET  31 -10.686  17.616   2.363
  220    H    ASN  32           H        ASN  32  -6.709  19.274   8.290
  221    HA   ASN  32           HA       ASN  32  -3.945  19.073   8.134
  222    HB2  ASN  32           HB2      ASN  32  -5.132  20.991   9.088
  223    HB3  ASN  32           HB3      ASN  32  -5.602  20.036  10.495
  224   HD21  ASN  32          HD22      ASN  32  -4.122  19.836  12.225
  225   HD22  ASN  32          HD21      ASN  32  -2.507  20.508  12.161
  226    H    SER  33           H        SER  33  -5.885  17.609  10.866
  227    HA   SER  33           HA       SER  33  -3.637  16.299  12.040
  228    HB2  SER  33           HB2      SER  33  -6.519  15.364  12.172
  229    HB3  SER  33           HB3      SER  33  -5.215  15.027  13.321
  230    HG   SER  33           HG       SER  33  -6.615  16.738  14.031
  231    H    LEU  34           H        LEU  34  -5.499  15.397   9.237
  232    HA   LEU  34           HA       LEU  34  -4.636  12.569   9.263
  233    HB2  LEU  34           HB2      LEU  34  -6.322  14.239   7.344
  234    HB3  LEU  34           HB3      LEU  34  -6.025  12.516   7.167
  235    HG   LEU  34           HG       LEU  34  -7.422  13.743   9.590
  236   HD11  LEU  34          HD11      LEU  34  -8.744  12.327   7.247
  237   HD12  LEU  34          HD12      LEU  34  -9.522  13.109   8.633
  238   HD13  LEU  34          HD13      LEU  34  -8.684  14.091   7.432
  239   HD21  LEU  34          HD21      LEU  34  -8.200  11.414   9.981
  240   HD22  LEU  34          HD22      LEU  34  -7.183  10.852   8.640
  241   HD23  LEU  34          HD23      LEU  34  -6.447  11.551  10.099
  242    H    TYR  35           H        TYR  35  -3.659  15.642   7.914
  243    HA   TYR  35           HA       TYR  35  -1.790  14.512   5.955
  244    HB2  TYR  35           HB2      TYR  35  -2.920  16.658   5.559
  245    HB3  TYR  35           HB3      TYR  35  -2.236  17.329   7.030
  246    HD1  TYR  35           HD2      TYR  35  -1.371  16.016   3.644
  247    HD2  TYR  35           HD1      TYR  35  -0.039  18.272   7.067
  248    HE1  TYR  35           HE2      TYR  35   0.626  16.768   2.362
  249    HE2  TYR  35           HE1      TYR  35   1.966  19.029   5.792
  250    HH   TYR  35           HH       TYR  35   2.555  18.014   2.405
  251    H    SER  36           H        SER  36  -1.600  15.982   9.253
  252    HA   SER  36           HA       SER  36   1.270  15.458   9.512
  253    HB2  SER  36           HB2      SER  36   0.937  15.939  11.875
  254    HB3  SER  36           HB3      SER  36   0.208  17.190  10.859
  255    HG   SER  36           HG       SER  36  -1.111  16.485  12.642
  256    H    GLY  37           H        GLY  37  -1.706  13.650  10.209
  257    HA2  GLY  37           HA2      GLY  37  -1.911  11.335   9.917
  258    HA3  GLY  37           HA3      GLY  37  -0.146  11.142  10.008
  259    H    ASP  38           H        ASP  38  -2.066  12.861  12.432
  260    HA   ASP  38           HA       ASP  38  -1.291  10.834  14.472
  261    HB2  ASP  38           HB2      ASP  38  -0.625  13.103  14.954
  262    HB3  ASP  38           HB3      ASP  38  -2.290  13.671  14.788
  263    HA   PRO  39           HA       PRO  39  -5.676   9.670  13.977
  264    HB2  PRO  39           HB2      PRO  39  -5.608   7.196  15.089
  265    HB3  PRO  39           HB3      PRO  39  -4.846   7.542  13.506
  266    HG2  PRO  39           HG2      PRO  39  -3.516   7.475  16.229
  267    HG3  PRO  39           HG3      PRO  39  -3.013   6.615  14.735
  268    HD2  PRO  39           HD2      PRO  39  -1.925   9.006  15.452
  269    HD3  PRO  39           HD3      PRO  39  -2.244   8.603  13.736
  270    H    GLN  40           H        GLN  40  -4.000  10.568  16.814
  271    HA   GLN  40           HA       GLN  40  -6.061   9.672  18.741
  272    HB2  GLN  40           HB2      GLN  40  -3.513  11.287  19.112
  273    HB3  GLN  40           HB3      GLN  40  -4.498  10.613  20.398
  274    HG2  GLN  40           HG2      GLN  40  -3.899   8.364  19.881
  275    HG3  GLN  40           HG3      GLN  40  -3.230   8.798  18.305
  276   HE21  GLN  40          HE22      GLN  40  -1.382  10.487  18.396
  277   HE22  GLN  40          HE21      GLN  40  -0.160  10.160  19.639
  278    H    ASP  41           H        ASP  41  -5.442  12.456  16.817
  279    HA   ASP  41           HA       ASP  41  -6.592  14.491  18.529
  280    HB2  ASP  41           HB2      ASP  41  -5.037  15.103  16.765
  281    HB3  ASP  41           HB3      ASP  41  -6.050  14.331  15.540
  282    H    GLN  42           H        GLN  42  -8.686  15.313  18.547
  283    HA   GLN  42           HA       GLN  42 -10.823  13.496  18.263
  284    HB2  GLN  42           HB2      GLN  42 -10.862  16.550  18.340
  285    HB3  GLN  42           HB3      GLN  42 -12.280  15.510  18.535
  286    HG2  GLN  42           HG2      GLN  42 -11.252  14.445  20.524
  287    HG3  GLN  42           HG3      GLN  42  -9.861  15.521  20.393
  288   HE21  GLN  42          HE22      GLN  42 -11.043  15.637  22.792
  289   HE22  GLN  42          HE21      GLN  42 -12.042  17.076  22.938
  290    H    LEU  43           H        LEU  43  -9.647  15.825  15.768
  291    HA   LEU  43           HA       LEU  43 -11.987  15.374  14.068
  292    HB2  LEU  43           HB2      LEU  43  -9.278  16.534  13.304
  293    HB3  LEU  43           HB3      LEU  43 -10.797  16.694  12.439
  294    HG   LEU  43           HG       LEU  43 -10.161  17.908  15.168
  295   HD11  LEU  43          HD11      LEU  43 -10.594  19.218  12.458
  296   HD12  LEU  43          HD12      LEU  43 -10.238  20.040  13.994
  297   HD13  LEU  43          HD13      LEU  43  -9.021  18.985  13.258
  298   HD21  LEU  43          HD21      LEU  43 -12.690  18.113  13.471
  299   HD22  LEU  43          HD22      LEU  43 -12.540  17.370  15.083
  300   HD23  LEU  43          HD23      LEU  43 -12.327  19.111  14.897
  301    H    ALA  44           H        ALA  44  -8.749  13.945  14.347
  302    HA   ALA  44           HA       ALA  44  -9.067  12.230  12.001
  303    HB1  ALA  44           HB1      ALA  44  -7.026  11.161  12.836
  304    HB2  ALA  44           HB2      ALA  44  -6.841  12.924  12.857
  305    HB3  ALA  44           HB3      ALA  44  -7.151  12.049  14.373
  306    H    VAL  45           H        VAL  45  -9.592  11.847  15.520
  307    HA   VAL  45           HA       VAL  45 -10.534   9.145  15.465
  308    HB   VAL  45           HB       VAL  45 -11.233  11.465  17.295
  309   HG11  VAL  45          HG11      VAL  45 -12.165   9.776  18.874
  310   HG12  VAL  45          HG12      VAL  45 -13.140   9.933  17.420
  311   HG13  VAL  45          HG13      VAL  45 -12.048   8.541  17.601
  312   HG21  VAL  45          HG21      VAL  45  -8.897  10.613  17.434
  313   HG22  VAL  45          HG22      VAL  45  -9.808  10.283  18.911
  314   HG23  VAL  45          HG23      VAL  45  -9.516   8.980  17.744
  315    H    ALA  46           H        ALA  46 -12.426  12.245  15.138
  316    HA   ALA  46           HA       ALA  46 -14.925  11.118  14.501
  317    HB1  ALA  46           HB1      ALA  46 -15.412  13.272  13.524
  318    HB2  ALA  46           HB2      ALA  46 -14.446  13.511  14.982
  319    HB3  ALA  46           HB3      ALA  46 -13.679  13.663  13.391
  320    H    TYR  47           H        TYR  47 -12.250  11.921  12.186
  321    HA   TYR  47           HA       TYR  47 -13.511  10.904   9.858
  322    HB2  TYR  47           HB2      TYR  47 -11.496  12.274   9.828
  323    HB3  TYR  47           HB3      TYR  47 -10.572  10.998  10.608
  324    HD1  TYR  47           HD1      TYR  47 -12.235  12.031   7.448
  325    HD2  TYR  47           HD2      TYR  47  -9.744   9.081   9.379
  326    HE1  TYR  47           HE1      TYR  47 -11.620  11.090   5.230
  327    HE2  TYR  47           HE2      TYR  47  -9.147   8.131   7.166
  328    HH   TYR  47           HH       TYR  47  -9.480   8.238   4.895
  329    H    HIS  48           H        HIS  48 -11.412   9.041  12.155
  330    HA   HIS  48           HA       HIS  48 -11.675   6.560  10.724
  331    HB2  HIS  48           HB2      HIS  48 -11.063   7.218  13.629
  332    HB3  HIS  48           HB3      HIS  48 -11.163   5.563  13.039
  333    HD1  HIS  48           HD1      HIS  48  -8.929   8.662  12.616
  334    HD2  HIS  48           HD2      HIS  48  -9.184   4.609  11.540
  335    HE1  HIS  48           HE1      HIS  48  -6.655   8.038  11.632
  336    H    LEU  49           H        LEU  49 -13.697   7.871  13.388
  337    HA   LEU  49           HA       LEU  49 -15.548   5.673  13.554
  338    HB2  LEU  49           HB2      LEU  49 -15.480   8.580  14.402
  339    HB3  LEU  49           HB3      LEU  49 -17.013   7.736  14.434
  340    HG   LEU  49           HG       LEU  49 -16.309   6.160  16.040
  341   HD11  LEU  49          HD11      LEU  49 -13.476   7.278  15.970
  342   HD12  LEU  49          HD12      LEU  49 -14.101   6.056  17.086
  343   HD13  LEU  49          HD13      LEU  49 -13.972   5.687  15.365
  344   HD21  LEU  49          HD21      LEU  49 -15.778   7.648  17.941
  345   HD22  LEU  49          HD22      LEU  49 -15.253   8.922  16.821
  346   HD23  LEU  49          HD23      LEU  49 -16.954   8.401  16.856
  347    H    ILE  50           H        ILE  50 -15.633   8.659  11.590
  348    HA   ILE  50           HA       ILE  50 -18.220   7.985  10.403
  349    HB   ILE  50           HB       ILE  50 -16.184  10.182   9.968
  350   HG12  ILE  50          HG12      ILE  50 -19.093  10.156  10.922
  351   HG13  ILE  50          HG13      ILE  50 -17.724  10.022  12.017
  352   HG21  ILE  50          HG21      ILE  50 -17.756  11.287   8.434
  353   HG22  ILE  50          HG22      ILE  50 -17.168   9.783   7.738
  354   HG23  ILE  50          HG23      ILE  50 -18.802   9.844   8.436
  355   HD11  ILE  50          HD11      ILE  50 -16.922  12.247  11.346
  356   HD12  ILE  50          HD12      ILE  50 -18.350  12.429  10.288
  357   HD13  ILE  50          HD13      ILE  50 -18.545  12.267  12.042
  358    H    ILE  51           H        ILE  51 -14.874   7.411   9.337
  359    HA   ILE  51           HA       ILE  51 -15.572   6.292   6.740
  360    HB   ILE  51           HB       ILE  51 -13.263   5.946   8.688
  361   HG12  ILE  51          HG12      ILE  51 -13.469   8.054   7.277
  362   HG13  ILE  51          HG13      ILE  51 -11.951   7.176   7.186
  363   HG21  ILE  51          HG21      ILE  51 -13.588   4.417   6.086
  364   HG22  ILE  51          HG22      ILE  51 -12.038   4.642   6.929
  365   HG23  ILE  51          HG23      ILE  51 -13.344   3.762   7.718
  366   HD11  ILE  51          HD11      ILE  51 -12.515   6.285   4.991
  367   HD12  ILE  51          HD12      ILE  51 -14.141   7.009   5.078
  368   HD13  ILE  51          HD13      ILE  51 -12.696   8.037   5.010
  369    H    ASP  52           H        ASP  52 -15.247   4.767  10.010
  370    HA   ASP  52           HA       ASP  52 -16.032   2.151   9.191
  371    HB2  ASP  52           HB2      ASP  52 -14.968   2.748  11.373
  372    HB3  ASP  52           HB3      ASP  52 -16.481   3.507  11.874
  373    H    ASN  53           H        ASN  53 -18.036   4.897  10.382
  374    HA   ASN  53           HA       ASN  53 -20.545   3.596  10.200
  375    HB2  ASN  53           HB2      ASN  53 -20.118   5.823  11.286
  376    HB3  ASN  53           HB3      ASN  53 -20.000   6.554   9.687
  377   HD21  ASN  53          HD22      ASN  53 -22.176   5.152  12.078
  378   HD22  ASN  53          HD21      ASN  53 -23.658   5.492  11.199
  379    H    ARG  54           H        ARG  54 -18.974   5.710   7.745
  380    HA   ARG  54           HA       ARG  54 -20.736   5.416   5.604
  381    HB2  ARG  54           HB2      ARG  54 -18.958   7.053   5.761
  382    HB3  ARG  54           HB3      ARG  54 -17.725   5.791   5.747
  383    HG2  ARG  54           HG2      ARG  54 -18.234   5.263   3.402
  384    HG3  ARG  54           HG3      ARG  54 -19.526   6.490   3.400
  385    HD2  ARG  54           HD2      ARG  54 -17.893   8.254   3.887
  386    HD3  ARG  54           HD3      ARG  54 -16.609   7.072   4.103
  387    HE   ARG  54           HE       ARG  54 -17.986   7.761   1.516
  388   HH11  ARG  54          HH11      ARG  54 -15.122   6.262   3.015
  389   HH12  ARG  54          HH12      ARG  54 -14.180   6.506   1.554
  390   HH21  ARG  54          HH21      ARG  54 -16.725   7.857  -0.325
  391   HH22  ARG  54          HH22      ARG  54 -15.081   7.251  -0.275
  392    H    ARG  55           H        ARG  55 -18.042   3.259   6.493
  393    HA   ARG  55           HA       ARG  55 -18.337   1.527   4.197
  394    HB2  ARG  55           HB2      ARG  55 -16.209   2.007   5.373
  395    HB3  ARG  55           HB3      ARG  55 -16.798   1.146   6.802
  396    HG2  ARG  55           HG2      ARG  55 -16.961  -0.940   5.453
  397    HG3  ARG  55           HG3      ARG  55 -16.402  -0.047   4.026
  398    HD2  ARG  55           HD2      ARG  55 -14.249   0.428   5.189
  399    HD3  ARG  55           HD3      ARG  55 -14.846  -0.407   6.623
  400    HE   ARG  55           HE       ARG  55 -14.455  -2.452   5.658
  401   HH11  ARG  55          HH11      ARG  55 -14.109  -0.051   3.078
  402   HH12  ARG  55          HH12      ARG  55 -13.450  -1.214   1.966
  403   HH21  ARG  55          HH21      ARG  55 -13.610  -3.891   4.178
  404   HH22  ARG  55          HH22      ARG  55 -13.163  -3.355   2.586
  405    H    ILE  56           H        ILE  56 -19.179   1.085   7.679
  406    HA   ILE  56           HA       ILE  56 -20.505  -1.526   6.992
  407    HB   ILE  56           HB       ILE  56 -19.461  -0.517   9.668
  408   HG12  ILE  56          HG12      ILE  56 -17.545  -0.809   8.192
  409   HG13  ILE  56          HG13      ILE  56 -17.587  -2.026   9.447
  410   HG21  ILE  56          HG21      ILE  56 -19.631  -2.911  10.340
  411   HG22  ILE  56          HG22      ILE  56 -21.200  -2.187   9.986
  412   HG23  ILE  56          HG23      ILE  56 -20.452  -3.267   8.803
  413   HD11  ILE  56          HD11      ILE  56 -18.444  -2.504   6.555
  414   HD12  ILE  56          HD12      ILE  56 -16.892  -2.961   7.275
  415   HD13  ILE  56          HD13      ILE  56 -18.377  -3.729   7.846
  416    H    MET  57           H        MET  57 -21.098   1.385   8.963
  417    HA   MET  57           HA       MET  57 -23.867   0.387   9.556
  418    HB2  MET  57           HB2      MET  57 -22.115   2.299  11.145
  419    HB3  MET  57           HB3      MET  57 -23.740   1.782  11.589
  420    HG2  MET  57           HG2      MET  57 -21.321  -0.043  11.348
  421    HG3  MET  57           HG3      MET  57 -22.004   0.583  12.840
  422    HE1  MET  57           HE1      MET  57 -21.368  -2.428  12.465
  423    HE2  MET  57           HE2      MET  57 -22.137  -1.770  13.926
  424    HE3  MET  57           HE3      MET  57 -22.826  -3.196  13.123
  425    H    ASN  58           H        ASN  58 -23.398   1.682   7.097
  426    HA   ASN  58           HA       ASN  58 -23.557   4.437   7.059
  427    HB2  ASN  58           HB2      ASN  58 -22.990   3.052   5.120
  428    HB3  ASN  58           HB3      ASN  58 -24.653   2.460   5.028
  429   HD21  ASN  58          HD21      ASN  58 -25.431   3.382   3.092
  430   HD22  ASN  58          HD22      ASN  58 -25.448   5.119   2.834
  431    H    GLN  59           H        GLN  59 -25.046   6.016   7.166
  432    HA   GLN  59           HA       GLN  59 -27.573   5.461   8.444
  433    HB2  GLN  59           HB2      GLN  59 -26.082   7.394   8.923
  434    HB3  GLN  59           HB3      GLN  59 -26.432   8.063   7.321
  435    HG2  GLN  59           HG2      GLN  59 -28.824   8.269   7.931
  436    HG3  GLN  59           HG3      GLN  59 -28.509   7.540   9.507
  437   HE21  GLN  59          HE22      GLN  59 -29.719  10.142   9.109
  438   HE22  GLN  59          HE21      GLN  59 -28.606  11.317   9.788
  439    H    ALA  60           H        ALA  60 -26.747   6.518   5.091
  440    HA   ALA  60           HA       ALA  60 -29.348   5.647   4.086
  441    HB1  ALA  60           HB1      ALA  60 -28.630   8.616   4.117
  442    HB2  ALA  60           HB2      ALA  60 -30.028   7.899   3.295
  443    HB3  ALA  60           HB3      ALA  60 -29.931   7.855   5.059
  444    H    SER  61           H        SER  61 -29.509   5.613   1.828
  445    HA   SER  61           HA       SER  61 -27.575   6.571  -0.046
  446    HB2  SER  61           HB2      SER  61 -26.664   4.320  -0.733
  447    HB3  SER  61           HB3      SER  61 -26.017   4.982   0.760
  448    HG   SER  61           HG       SER  61 -28.051   2.983   0.571
  449    H    GLU  62           H        GLU  62 -28.046   5.916  -2.248
  450    HA   GLU  62           HA       GLU  62 -30.435   4.340  -2.864
  451    HB2  GLU  62           HB2      GLU  62 -31.366   6.541  -2.132
  452    HB3  GLU  62           HB3      GLU  62 -30.421   7.345  -3.388
  453    HG2  GLU  62           HG2      GLU  62 -31.649   6.081  -5.129
  454    HG3  GLU  62           HG3      GLU  62 -32.531   5.197  -3.881
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -6.261   6.645 -10.955
    2    H2   GLY   1           H2       GLY   1  -4.978   6.618 -11.966
    3    H3   GLY   1           H3       GLY   1  -4.954   5.724 -10.594
    4    HA2  GLY   1           HA2      GLY   1  -5.005   8.674 -10.710
    5    HA3  GLY   1           HA3      GLY   1  -4.977   7.713  -9.221
    6    HA   PRO   2           HA       PRO   2  -0.598   8.635 -10.814
    7    HB2  PRO   2           HB2      PRO   2   0.191  10.716  -9.252
    8    HB3  PRO   2           HB3      PRO   2  -0.809  10.955 -10.715
    9    HG2  PRO   2           HG2      PRO   2  -1.762  10.754  -7.837
   10    HG3  PRO   2           HG3      PRO   2  -2.161  12.016  -9.047
   11    HD2  PRO   2           HD2      PRO   2  -3.801   9.883  -8.591
   12    HD3  PRO   2           HD3      PRO   2  -3.589  10.572 -10.232
   13    H    HIS   3           H        HIS   3   1.415   8.188  -9.715
   14    HA   HIS   3           HA       HIS   3   1.220   6.260  -7.616
   15    HB2  HIS   3           HB2      HIS   3   2.968   6.556  -9.488
   16    HB3  HIS   3           HB3      HIS   3   3.729   7.768  -8.459
   17    HD1  HIS   3           HD1      HIS   3   3.456   6.023  -5.692
   18    HD2  HIS   3           HD2      HIS   3   4.820   4.735  -9.454
   19    HE1  HIS   3           HE1      HIS   3   4.938   3.979  -5.257
   20    H    MET   4           H        MET   4   1.401   9.714  -7.438
   21    HA   MET   4           HA       MET   4   2.538  10.038  -4.805
   22    HB2  MET   4           HB2      MET   4   0.675  11.823  -6.433
   23    HB3  MET   4           HB3      MET   4   1.491  12.307  -4.944
   24    HG2  MET   4           HG2      MET   4   3.690  11.889  -5.989
   25    HG3  MET   4           HG3      MET   4   2.902  11.440  -7.503
   26    HE1  MET   4           HE1      MET   4   5.206  13.573  -7.308
   27    HE2  MET   4           HE2      MET   4   4.392  13.132  -8.823
   28    HE3  MET   4           HE3      MET   4   4.588  14.843  -8.384
   29    H    SER   5           H        SER   5  -0.567   8.850  -5.741
   30    HA   SER   5           HA       SER   5  -1.975   9.599  -3.295
   31    HB2  SER   5           HB2      SER   5  -2.686   7.606  -5.472
   32    HB3  SER   5           HB3      SER   5  -3.750   8.139  -4.157
   33    HG   SER   5           HG       SER   5  -4.165   9.352  -6.016
   34    H    TYR   6           H        TYR   6   0.296   8.584  -2.364
   35    HA   TYR   6           HA       TYR   6   0.384   5.818  -1.657
   36    HB2  TYR   6           HB2      TYR   6   1.394   8.278  -0.176
   37    HB3  TYR   6           HB3      TYR   6   1.865   6.624   0.174
   38    HD1  TYR   6           HD1      TYR   6   3.016   5.254  -1.702
   39    HD2  TYR   6           HD2      TYR   6   2.668   9.553  -1.715
   40    HE1  TYR   6           HE1      TYR   6   4.944   5.403  -3.263
   41    HE2  TYR   6           HE2      TYR   6   4.582   9.704  -3.296
   42    HH   TYR   6           HH       TYR   6   6.308   6.801  -4.481
   43    H    ASP   7           H        ASP   7   0.092   4.909   0.544
   44    HA   ASP   7           HA       ASP   7  -2.548   5.070   1.482
   45    HB2  ASP   7           HB2      ASP   7  -1.007   3.151   1.741
   46    HB3  ASP   7           HB3      ASP   7  -0.058   4.073   2.913
   47    H    ALA   8           H        ALA   8   0.288   6.814   2.661
   48    HA   ALA   8           HA       ALA   8  -1.069   8.067   4.931
   49    HB1  ALA   8           HB1      ALA   8   1.373   7.643   4.893
   50    HB2  ALA   8           HB2      ALA   8   1.549   8.746   3.507
   51    HB3  ALA   8           HB3      ALA   8   1.021   9.371   5.081
   52    H    ASN   9           H        ASN   9  -0.565   8.920   1.531
   53    HA   ASN   9           HA       ASN   9  -1.396  11.704   1.827
   54    HB2  ASN   9           HB2      ASN   9   0.283  11.025   0.176
   55    HB3  ASN   9           HB3      ASN   9  -0.876   9.956  -0.615
   56   HD21  ASN   9          HD22      ASN   9  -0.114  13.398   0.045
   57   HD22  ASN   9          HD21      ASN   9  -1.122  14.015  -1.252
   58    H    VAL  10           H        VAL  10  -2.903   8.704   0.575
   59    HA   VAL  10           HA       VAL  10  -5.113   9.968  -0.645
   60    HB   VAL  10           HB       VAL  10  -4.250   7.713  -1.170
   61   HG11  VAL  10          HG11      VAL  10  -4.140   6.786   1.157
   62   HG12  VAL  10          HG12      VAL  10  -5.914   6.699   1.175
   63   HG13  VAL  10          HG13      VAL  10  -4.989   5.734   0.013
   64   HG21  VAL  10          HG21      VAL  10  -6.365   6.774  -1.861
   65   HG22  VAL  10          HG22      VAL  10  -7.247   7.754  -0.676
   66   HG23  VAL  10          HG23      VAL  10  -6.414   8.533  -2.045
   67    H    ILE  11           H        ILE  11  -7.208  10.357  -0.107
   68    HA   ILE  11           HA       ILE  11  -8.188   9.896   2.658
   69    HB   ILE  11           HB       ILE  11  -6.943  12.167   2.128
   70   HG12  ILE  11          HG12      ILE  11  -9.614  12.189   3.569
   71   HG13  ILE  11          HG13      ILE  11  -8.096  11.566   4.234
   72   HG21  ILE  11          HG21      ILE  11  -9.725  12.927   1.174
   73   HG22  ILE  11          HG22      ILE  11  -8.284  13.962   1.249
   74   HG23  ILE  11          HG23      ILE  11  -8.344  12.646   0.083
   75   HD11  ILE  11          HD11      ILE  11  -8.582  13.831   5.055
   76   HD12  ILE  11          HD12      ILE  11  -7.067  13.770   4.135
   77   HD13  ILE  11          HD13      ILE  11  -8.538  14.460   3.412
   78    H    ASP  12           H        ASP  12 -10.465   9.952   2.891
   79    HA   ASP  12           HA       ASP  12 -11.989   9.455   0.386
   80    HB2  ASP  12           HB2      ASP  12 -12.492   8.886   3.304
   81    HB3  ASP  12           HB3      ASP  12 -13.799   8.868   2.126
   82    H    ASP  13           H        ASP  13 -12.538  11.299  -0.576
   83    HA   ASP  13           HA       ASP  13 -12.958  13.796   0.602
   84    HB2  ASP  13           HB2      ASP  13 -12.502  13.371  -1.785
   85    HB3  ASP  13           HB3      ASP  13 -14.117  12.687  -1.989
   86    H    GLU  14           H        GLU  14 -15.361  11.242  -0.010
   87    HA   GLU  14           HA       GLU  14 -17.697  12.739   0.769
   88    HB2  GLU  14           HB2      GLU  14 -17.712  10.686  -0.589
   89    HB3  GLU  14           HB3      GLU  14 -17.160   9.752   0.807
   90    HG2  GLU  14           HG2      GLU  14 -19.239  10.160   1.983
   91    HG3  GLU  14           HG3      GLU  14 -19.746  11.365   0.783
   92    H    ALA  15           H        ALA  15 -15.380  10.717   2.637
   93    HA   ALA  15           HA       ALA  15 -16.786  10.977   5.158
   94    HB1  ALA  15           HB1      ALA  15 -13.839  10.380   4.592
   95    HB2  ALA  15           HB2      ALA  15 -14.692  10.135   6.121
   96    HB3  ALA  15           HB3      ALA  15 -15.148   9.178   4.689
   97    H    VAL  16           H        VAL  16 -14.048  12.761   3.682
   98    HA   VAL  16           HA       VAL  16 -13.644  14.693   5.736
   99    HB   VAL  16           HB       VAL  16 -13.238  14.951   2.738
  100   HG11  VAL  16          HG11      VAL  16 -12.347  16.826   4.979
  101   HG12  VAL  16          HG12      VAL  16 -11.712  16.865   3.318
  102   HG13  VAL  16          HG13      VAL  16 -13.412  17.228   3.612
  103   HG21  VAL  16          HG21      VAL  16 -11.814  13.265   3.910
  104   HG22  VAL  16          HG22      VAL  16 -10.878  14.627   3.308
  105   HG23  VAL  16          HG23      VAL  16 -11.276  14.515   5.037
  106    H    LYS  17           H        LYS  17 -15.918  14.784   2.927
  107    HA   LYS  17           HA       LYS  17 -17.105  17.298   3.523
  108    HB2  LYS  17           HB2      LYS  17 -17.229  16.029   1.380
  109    HB3  LYS  17           HB3      LYS  17 -18.328  14.867   2.140
  110    HG2  LYS  17           HG2      LYS  17 -19.936  16.733   2.586
  111    HG3  LYS  17           HG3      LYS  17 -18.841  17.857   1.774
  112    HD2  LYS  17           HD2      LYS  17 -20.246  15.442   0.546
  113    HD3  LYS  17           HD3      LYS  17 -20.687  17.126   0.293
  114    HE2  LYS  17           HE2      LYS  17 -18.054  15.832  -0.580
  115    HE3  LYS  17           HE3      LYS  17 -19.455  16.101  -1.619
  116    HZ1  LYS  17           HZ1      LYS  17 -17.849  17.867  -1.904
  117    HZ2  LYS  17           HZ2      LYS  17 -19.206  18.498  -1.248
  118    HZ3  LYS  17           HZ3      LYS  17 -17.873  18.253  -0.318
  119    H    GLU  18           H        GLU  18 -18.174  13.971   4.510
  120    HA   GLU  18           HA       GLU  18 -20.376  14.939   6.069
  121    HB2  GLU  18           HB2      GLU  18 -18.864  12.307   6.083
  122    HB3  GLU  18           HB3      GLU  18 -20.129  12.671   7.257
  123    HG2  GLU  18           HG2      GLU  18 -21.589  13.310   5.174
  124    HG3  GLU  18           HG3      GLU  18 -20.411  12.366   4.262
  125    H    VAL  19           H        VAL  19 -17.034  14.071   7.247
  126    HA   VAL  19           HA       VAL  19 -17.646  14.471   9.979
  127    HB   VAL  19           HB       VAL  19 -15.615  13.384   9.208
  128   HG11  VAL  19          HG11      VAL  19 -13.639  14.652   8.602
  129   HG12  VAL  19          HG12      VAL  19 -14.924  14.849   7.418
  130   HG13  VAL  19          HG13      VAL  19 -14.598  16.160   8.546
  131   HG21  VAL  19          HG21      VAL  19 -14.961  15.708  11.062
  132   HG22  VAL  19          HG22      VAL  19 -15.798  14.219  11.538
  133   HG23  VAL  19          HG23      VAL  19 -14.129  14.150  10.946
  134    H    CYS  20           H        CYS  20 -16.907  16.966   7.584
  135    HA   CYS  20           HA       CYS  20 -16.571  19.222   9.282
  136    HB2  CYS  20           HB2      CYS  20 -16.205  19.042   6.783
  137    HB3  CYS  20           HB3      CYS  20 -17.970  19.040   6.564
  138    HG   CYS  20           HG       CYS  20 -17.141  21.433   5.979
  139    H    GLU  21           H        GLU  21 -19.537  17.500   8.310
  140    HA   GLU  21           HA       GLU  21 -21.312  19.524   9.564
  141    HB2  GLU  21           HB2      GLU  21 -22.147  16.928   8.213
  142    HB3  GLU  21           HB3      GLU  21 -23.124  18.365   8.549
  143    HG2  GLU  21           HG2      GLU  21 -21.587  19.617   6.926
  144    HG3  GLU  21           HG3      GLU  21 -20.893  18.031   6.525
  145    H    LYS  22           H        LYS  22 -20.683  16.015   9.703
  146    HA   LYS  22           HA       LYS  22 -22.286  15.253  11.898
  147    HB2  LYS  22           HB2      LYS  22 -19.637  14.270  10.776
  148    HB3  LYS  22           HB3      LYS  22 -20.354  13.477  12.164
  149    HG2  LYS  22           HG2      LYS  22 -21.846  13.787   9.526
  150    HG3  LYS  22           HG3      LYS  22 -20.770  12.424   9.878
  151    HD2  LYS  22           HD2      LYS  22 -22.105  11.987  11.982
  152    HD3  LYS  22           HD3      LYS  22 -23.288  13.172  11.419
  153    HE2  LYS  22           HE2      LYS  22 -22.501  10.542  10.071
  154    HE3  LYS  22           HE3      LYS  22 -24.001  10.887  10.940
  155    HZ1  LYS  22           HZ1      LYS  22 -24.353  12.667   9.146
  156    HZ2  LYS  22           HZ2      LYS  22 -23.178  11.882   8.274
  157    HZ3  LYS  22           HZ3      LYS  22 -24.535  11.107   8.699
  158    H    PHE  23           H        PHE  23 -18.871  16.325  11.988
  159    HA   PHE  23           HA       PHE  23 -18.910  16.348  14.942
  160    HB2  PHE  23           HB2      PHE  23 -17.173  15.292  13.153
  161    HB3  PHE  23           HB3      PHE  23 -16.444  16.879  13.319
  162    HD1  PHE  23           HD1      PHE  23 -17.868  14.055  15.345
  163    HD2  PHE  23           HD2      PHE  23 -14.873  17.146  15.094
  164    HE1  PHE  23           HE1      PHE  23 -16.815  13.185  17.396
  165    HE2  PHE  23           HE2      PHE  23 -13.791  16.262  17.144
  166    HZ   PHE  23           HZ       PHE  23 -14.763  14.285  18.315
  167    H    GLU  24           H        GLU  24 -19.520  18.654  12.599
  168    HA   GLU  24           HA       GLU  24 -19.667  20.886  12.558
  169    HB2  GLU  24           HB2      GLU  24 -19.513  20.719  15.593
  170    HB3  GLU  24           HB3      GLU  24 -20.130  22.068  14.635
  171    HG2  GLU  24           HG2      GLU  24 -21.896  20.583  13.689
  172    HG3  GLU  24           HG3      GLU  24 -21.331  19.273  14.740
  173    H    CYS  25           H        CYS  25 -17.050  19.853  12.218
  174    HA   CYS  25           HA       CYS  25 -15.218  21.960  13.286
  175    HB2  CYS  25           HB2      CYS  25 -13.459  20.304  12.841
  176    HB3  CYS  25           HB3      CYS  25 -14.745  19.592  13.819
  177    HG   CYS  25           HG       CYS  25 -13.882  17.799  12.064
  178    H    THR  26           H        THR  26 -13.266  21.297  11.092
  179    HA   THR  26           HA       THR  26 -14.635  22.288   8.657
  180    HB   THR  26           HB       THR  26 -12.810  23.776   8.067
  181    HG1  THR  26           HG1      THR  26 -11.333  24.273   9.863
  182   HG21  THR  26          HG21      THR  26 -14.710  24.706   9.404
  183   HG22  THR  26          HG22      THR  26 -13.752  24.467  10.883
  184   HG23  THR  26          HG23      THR  26 -13.187  25.585   9.624
  185    H    GLU  27           H        GLU  27 -13.833  21.569   6.747
  186    HA   GLU  27           HA       GLU  27 -12.543  19.045   6.567
  187    HB2  GLU  27           HB2      GLU  27 -12.625  21.301   4.514
  188    HB3  GLU  27           HB3      GLU  27 -12.246  19.610   4.173
  189    HG2  GLU  27           HG2      GLU  27 -14.524  18.950   4.870
  190    HG3  GLU  27           HG3      GLU  27 -14.922  20.632   5.223
  191    H    SER  28           H        SER  28 -11.202  22.378   6.280
  192    HA   SER  28           HA       SER  28  -8.527  21.738   5.728
  193    HB2  SER  28           HB2      SER  28  -9.538  24.055   7.427
  194    HB3  SER  28           HB3      SER  28  -8.031  23.991   6.501
  195    HG   SER  28           HG       SER  28  -9.218  24.079   4.604
  196    H    GLU  29           H        GLU  29 -10.098  21.991   9.002
  197    HA   GLU  29           HA       GLU  29  -7.510  21.474  10.286
  198    HB2  GLU  29           HB2      GLU  29 -10.314  21.745  11.386
  199    HB3  GLU  29           HB3      GLU  29  -8.912  21.349  12.383
  200    HG2  GLU  29           HG2      GLU  29  -8.973  23.842  10.645
  201    HG3  GLU  29           HG3      GLU  29  -9.549  23.803  12.310
  202    H    VAL  30           H        VAL  30 -10.317  19.507   9.347
  203    HA   VAL  30           HA       VAL  30  -9.480  17.069  10.642
  204    HB   VAL  30           HB       VAL  30 -11.109  17.675   8.164
  205   HG11  VAL  30          HG11      VAL  30 -10.567  14.880   9.252
  206   HG12  VAL  30          HG12      VAL  30 -11.724  15.324   7.965
  207   HG13  VAL  30          HG13      VAL  30 -10.017  15.508   7.684
  208   HG21  VAL  30          HG21      VAL  30 -12.953  17.076   9.528
  209   HG22  VAL  30          HG22      VAL  30 -11.931  16.308  10.757
  210   HG23  VAL  30          HG23      VAL  30 -11.953  18.070  10.567
  211    H    MET  31           H        MET  31  -8.750  18.378   7.336
  212    HA   MET  31           HA       MET  31  -6.848  16.334   6.650
  213    HB2  MET  31           HB2      MET  31  -7.227  19.199   5.673
  214    HB3  MET  31           HB3      MET  31  -6.041  18.078   4.994
  215    HG2  MET  31           HG2      MET  31  -7.863  16.437   4.556
  216    HG3  MET  31           HG3      MET  31  -9.051  17.627   5.070
  217    HE1  MET  31           HE1      MET  31  -9.662  19.789   3.786
  218    HE2  MET  31           HE2      MET  31  -7.984  20.382   3.768
  219    HE3  MET  31           HE3      MET  31  -8.919  20.315   2.263
  220    H    ASN  32           H        ASN  32  -6.354  19.522   8.278
  221    HA   ASN  32           HA       ASN  32  -3.568  19.423   8.551
  222    HB2  ASN  32           HB2      ASN  32  -5.027  21.325   9.183
  223    HB3  ASN  32           HB3      ASN  32  -5.620  20.412  10.566
  224   HD21  ASN  32          HD22      ASN  32  -4.806  22.683  11.383
  225   HD22  ASN  32          HD21      ASN  32  -3.172  22.636  12.036
  226    H    SER  33           H        SER  33  -5.946  18.058  11.002
  227    HA   SER  33           HA       SER  33  -3.930  16.780  12.528
  228    HB2  SER  33           HB2      SER  33  -6.835  15.973  12.194
  229    HB3  SER  33           HB3      SER  33  -5.711  15.363  13.430
  230    HG   SER  33           HG       SER  33  -6.846  17.055  14.346
  231    H    LEU  34           H        LEU  34  -5.178  15.700   9.429
  232    HA   LEU  34           HA       LEU  34  -4.218  12.929   9.843
  233    HB2  LEU  34           HB2      LEU  34  -5.587  14.383   7.545
  234    HB3  LEU  34           HB3      LEU  34  -5.050  12.711   7.433
  235    HG   LEU  34           HG       LEU  34  -6.991  13.635   9.599
  236   HD11  LEU  34          HD11      LEU  34  -7.952  14.106   7.369
  237   HD12  LEU  34          HD12      LEU  34  -7.669  12.411   6.898
  238   HD13  LEU  34          HD13      LEU  34  -8.806  12.802   8.206
  239   HD21  LEU  34          HD21      LEU  34  -6.383  10.870   8.446
  240   HD22  LEU  34          HD22      LEU  34  -5.852  11.461  10.031
  241   HD23  LEU  34          HD23      LEU  34  -7.574  11.242   9.709
  242    H    TYR  35           H        TYR  35  -3.042  15.924   8.421
  243    HA   TYR  35           HA       TYR  35  -0.805  14.424   7.093
  244    HB2  TYR  35           HB2      TYR  35  -1.930  17.194   6.588
  245    HB3  TYR  35           HB3      TYR  35  -0.562  16.491   5.742
  246    HD1  TYR  35           HD2      TYR  35  -1.347  13.768   5.052
  247    HD2  TYR  35           HD1      TYR  35  -3.684  17.393   5.036
  248    HE1  TYR  35           HE2      TYR  35  -2.812  12.813   3.306
  249    HE2  TYR  35           HE1      TYR  35  -5.156  16.436   3.270
  250    HH   TYR  35           HH       TYR  35  -4.539  13.191   1.858
  251    H    SER  36           H        SER  36  -1.382  17.069   9.372
  252    HA   SER  36           HA       SER  36   1.586  17.293   9.861
  253    HB2  SER  36           HB2      SER  36  -0.504  19.500   9.800
  254    HB3  SER  36           HB3      SER  36   1.210  19.705  10.189
  255    HG   SER  36           HG       SER  36   0.761  20.211   7.996
  256    H    GLY  37           H        GLY  37  -1.548  16.929  11.395
  257    HA2  GLY  37           HA2      GLY  37  -0.434  17.403  14.122
  258    HA3  GLY  37           HA3      GLY  37  -2.103  16.972  13.703
  259    H    ASP  38           H        ASP  38  -2.574  15.010  14.491
  260    HA   ASP  38           HA       ASP  38  -0.881  12.720  13.801
  261    HB2  ASP  38           HB2      ASP  38  -0.073  13.445  16.015
  262    HB3  ASP  38           HB3      ASP  38  -1.712  13.292  16.664
  263    HA   PRO  39           HA       PRO  39  -4.928  11.123  12.830
  264    HB2  PRO  39           HB2      PRO  39  -3.676   8.466  13.548
  265    HB3  PRO  39           HB3      PRO  39  -4.721   8.871  12.149
  266    HG2  PRO  39           HG2      PRO  39  -2.049   8.754  11.815
  267    HG3  PRO  39           HG3      PRO  39  -2.966  10.125  11.108
  268    HD2  PRO  39           HD2      PRO  39  -1.353  10.058  13.668
  269    HD3  PRO  39           HD3      PRO  39  -1.412  11.306  12.384
  270    H    GLN  40           H        GLN  40  -3.625  10.654  16.030
  271    HA   GLN  40           HA       GLN  40  -6.110   9.408  17.087
  272    HB2  GLN  40           HB2      GLN  40  -3.549  10.254  18.497
  273    HB3  GLN  40           HB3      GLN  40  -4.888   9.390  19.232
  274    HG2  GLN  40           HG2      GLN  40  -3.107   8.323  17.000
  275    HG3  GLN  40           HG3      GLN  40  -3.033   7.876  18.698
  276   HE21  GLN  40          HE22      GLN  40  -3.450   6.052  16.434
  277   HE22  GLN  40          HE21      GLN  40  -5.021   5.316  16.701
  278    H    ASP  41           H        ASP  41  -5.240  12.526  16.256
  279    HA   ASP  41           HA       ASP  41  -6.456  14.050  18.393
  280    HB2  ASP  41           HB2      ASP  41  -4.961  15.118  16.795
  281    HB3  ASP  41           HB3      ASP  41  -5.988  14.607  15.449
  282    H    GLN  42           H        GLN  42  -8.527  14.834  18.573
  283    HA   GLN  42           HA       GLN  42 -10.701  13.235  18.077
  284    HB2  GLN  42           HB2      GLN  42 -12.100  15.185  18.568
  285    HB3  GLN  42           HB3      GLN  42 -10.746  15.014  19.691
  286    HG2  GLN  42           HG2      GLN  42  -9.543  16.836  18.418
  287    HG3  GLN  42           HG3      GLN  42 -10.974  17.027  17.409
  288   HE21  GLN  42          HE22      GLN  42 -10.072  19.259  18.737
  289   HE22  GLN  42          HE21      GLN  42 -11.168  19.623  20.061
  290    H    LEU  43           H        LEU  43  -9.529  15.744  15.770
  291    HA   LEU  43           HA       LEU  43 -11.945  15.538  14.127
  292    HB2  LEU  43           HB2      LEU  43  -9.211  16.750  13.539
  293    HB3  LEU  43           HB3      LEU  43 -10.689  17.010  12.618
  294    HG   LEU  43           HG       LEU  43 -10.083  17.988  15.433
  295   HD11  LEU  43          HD11      LEU  43  -9.075  19.248  13.565
  296   HD12  LEU  43          HD12      LEU  43 -10.680  19.445  12.824
  297   HD13  LEU  43          HD13      LEU  43 -10.322  20.202  14.391
  298   HD21  LEU  43          HD21      LEU  43 -12.332  19.130  15.282
  299   HD22  LEU  43          HD22      LEU  43 -12.691  18.111  13.867
  300   HD23  LEU  43          HD23      LEU  43 -12.424  17.377  15.460
  301    H    ALA  44           H        ALA  44  -8.695  14.118  14.016
  302    HA   ALA  44           HA       ALA  44  -9.118  12.696  11.491
  303    HB1  ALA  44           HB1      ALA  44  -7.067  11.481  12.227
  304    HB2  ALA  44           HB2      ALA  44  -6.860  13.241  12.242
  305    HB3  ALA  44           HB3      ALA  44  -7.106  12.354  13.769
  306    H    VAL  45           H        VAL  45  -9.352  11.851  14.964
  307    HA   VAL  45           HA       VAL  45 -10.265   9.180  14.667
  308    HB   VAL  45           HB       VAL  45 -10.755  11.247  16.833
  309   HG11  VAL  45          HG11      VAL  45 -11.550   8.299  16.920
  310   HG12  VAL  45          HG12      VAL  45 -11.526   9.407  18.305
  311   HG13  VAL  45          HG13      VAL  45 -12.660   9.686  16.987
  312   HG21  VAL  45          HG21      VAL  45  -9.054   8.711  16.746
  313   HG22  VAL  45          HG22      VAL  45  -8.432  10.351  16.525
  314   HG23  VAL  45          HG23      VAL  45  -9.132   9.885  18.080
  315    H    ALA  46           H        ALA  46 -12.279  12.221  14.801
  316    HA   ALA  46           HA       ALA  46 -14.807  11.042  14.370
  317    HB1  ALA  46           HB1      ALA  46 -14.367  13.378  14.996
  318    HB2  ALA  46           HB2      ALA  46 -13.736  13.711  13.374
  319    HB3  ALA  46           HB3      ALA  46 -15.442  13.247  13.596
  320    H    TYR  47           H        TYR  47 -12.480  12.196  11.865
  321    HA   TYR  47           HA       TYR  47 -13.917  11.349   9.576
  322    HB2  TYR  47           HB2      TYR  47 -12.122  12.823   9.295
  323    HB3  TYR  47           HB3      TYR  47 -11.020  11.860  10.245
  324    HD1  TYR  47           HD2      TYR  47 -12.566  12.246   6.908
  325    HD2  TYR  47           HD1      TYR  47  -9.774  10.012   9.329
  326    HE1  TYR  47           HE2      TYR  47 -11.588  11.223   4.851
  327    HE2  TYR  47           HE1      TYR  47  -8.798   9.004   7.280
  328    HH   TYR  47           HH       TYR  47  -8.934   8.830   5.005
  329    H    HIS  48           H        HIS  48 -11.489   9.431  11.474
  330    HA   HIS  48           HA       HIS  48 -11.798   7.045   9.900
  331    HB2  HIS  48           HB2      HIS  48 -10.881   7.483  12.773
  332    HB3  HIS  48           HB3      HIS  48 -10.795   5.934  11.943
  333    HD1  HIS  48           HD1      HIS  48  -9.425   6.442   9.281
  334    HD2  HIS  48           HD2      HIS  48  -8.478   8.484  12.836
  335    HE1  HIS  48           HE1      HIS  48  -7.072   7.348   8.978
  336    H    LEU  49           H        LEU  49 -13.550   8.019  12.901
  337    HA   LEU  49           HA       LEU  49 -15.171   5.652  13.125
  338    HB2  LEU  49           HB2      LEU  49 -15.190   8.479  14.197
  339    HB3  LEU  49           HB3      LEU  49 -16.706   7.603  14.242
  340    HG   LEU  49           HG       LEU  49 -15.830   5.831  15.581
  341   HD11  LEU  49          HD11      LEU  49 -13.100   7.183  15.507
  342   HD12  LEU  49          HD12      LEU  49 -13.558   5.812  16.529
  343   HD13  LEU  49          HD13      LEU  49 -13.511   5.619  14.777
  344   HD21  LEU  49          HD21      LEU  49 -14.960   8.543  16.681
  345   HD22  LEU  49          HD22      LEU  49 -16.612   7.891  16.705
  346   HD23  LEU  49          HD23      LEU  49 -15.338   7.093  17.643
  347    H    ILE  50           H        ILE  50 -15.681   8.691  11.327
  348    HA   ILE  50           HA       ILE  50 -18.298   7.923  10.331
  349    HB   ILE  50           HB       ILE  50 -16.265  10.036   9.574
  350   HG12  ILE  50          HG12      ILE  50 -19.114  10.234  10.685
  351   HG13  ILE  50          HG13      ILE  50 -17.713  10.050  11.731
  352   HG21  ILE  50          HG21      ILE  50 -17.948  11.052   8.068
  353   HG22  ILE  50          HG22      ILE  50 -17.400   9.500   7.458
  354   HG23  ILE  50          HG23      ILE  50 -18.988   9.624   8.254
  355   HD11  ILE  50          HD11      ILE  50 -18.253  12.373   9.887
  356   HD12  ILE  50          HD12      ILE  50 -18.239  12.361  11.662
  357   HD13  ILE  50          HD13      ILE  50 -16.726  12.122  10.779
  358    H    ILE  51           H        ILE  51 -15.024   7.284   9.089
  359    HA   ILE  51           HA       ILE  51 -16.005   5.982   6.655
  360    HB   ILE  51           HB       ILE  51 -13.343   6.004   8.125
  361   HG12  ILE  51          HG12      ILE  51 -14.225   7.007   5.382
  362   HG13  ILE  51          HG13      ILE  51 -14.166   8.003   6.835
  363   HG21  ILE  51          HG21      ILE  51 -12.376   4.763   6.168
  364   HG22  ILE  51          HG22      ILE  51 -13.442   3.789   7.142
  365   HG23  ILE  51          HG23      ILE  51 -14.022   4.444   5.587
  366   HD11  ILE  51          HD11      ILE  51 -12.242   8.460   5.525
  367   HD12  ILE  51          HD12      ILE  51 -11.716   7.619   6.996
  368   HD13  ILE  51          HD13      ILE  51 -11.775   6.767   5.425
  369    H    ASP  52           H        ASP  52 -15.413   4.770   9.975
  370    HA   ASP  52           HA       ASP  52 -16.080   2.017   9.336
  371    HB2  ASP  52           HB2      ASP  52 -14.963   2.852  11.453
  372    HB3  ASP  52           HB3      ASP  52 -16.539   3.470  11.962
  373    H    ASN  53           H        ASN  53 -18.077   4.780  10.479
  374    HA   ASN  53           HA       ASN  53 -20.564   3.468  10.526
  375    HB2  ASN  53           HB2      ASN  53 -20.093   5.702  11.487
  376    HB3  ASN  53           HB3      ASN  53 -19.941   6.383   9.872
  377   HD21  ASN  53          HD22      ASN  53 -22.188   5.273  12.326
  378   HD22  ASN  53          HD21      ASN  53 -23.634   5.813  11.487
  379    H    ARG  54           H        ARG  54 -19.175   5.413   7.864
  380    HA   ARG  54           HA       ARG  54 -21.081   5.090   5.862
  381    HB2  ARG  54           HB2      ARG  54 -19.271   6.703   5.892
  382    HB3  ARG  54           HB3      ARG  54 -18.065   5.415   5.794
  383    HG2  ARG  54           HG2      ARG  54 -18.757   4.910   3.491
  384    HG3  ARG  54           HG3      ARG  54 -20.028   6.155   3.580
  385    HD2  ARG  54           HD2      ARG  54 -18.353   7.904   3.938
  386    HD3  ARG  54           HD3      ARG  54 -17.069   6.704   4.084
  387    HE   ARG  54           HE       ARG  54 -18.604   7.356   1.574
  388   HH11  ARG  54          HH21      ARG  54 -15.561   6.094   2.936
  389   HH12  ARG  54          HH22      ARG  54 -14.736   6.311   1.416
  390   HH21  ARG  54          HH11      ARG  54 -17.620   7.399  -0.244
  391   HH22  ARG  54          HH12      ARG  54 -15.942   6.885  -0.446
  392    H    ARG  55           H        ARG  55 -18.395   2.901   6.635
  393    HA   ARG  55           HA       ARG  55 -19.003   1.057   4.421
  394    HB2  ARG  55           HB2      ARG  55 -17.125   0.885   6.798
  395    HB3  ARG  55           HB3      ARG  55 -17.288  -0.391   5.583
  396    HG2  ARG  55           HG2      ARG  55 -16.579   1.103   3.790
  397    HG3  ARG  55           HG3      ARG  55 -16.471   2.473   4.901
  398    HD2  ARG  55           HD2      ARG  55 -14.837  -0.087   5.055
  399    HD3  ARG  55           HD3      ARG  55 -14.249   1.474   4.450
  400    HE   ARG  55           HE       ARG  55 -15.123   2.180   6.903
  401   HH11  ARG  55          HH11      ARG  55 -12.952  -0.461   5.960
  402   HH12  ARG  55          HH12      ARG  55 -12.130  -0.475   7.489
  403   HH21  ARG  55          HH21      ARG  55 -13.981   2.126   8.872
  404   HH22  ARG  55          HH22      ARG  55 -12.719   0.963   9.115
  405    H    ILE  56           H        ILE  56 -19.217   0.763   8.011
  406    HA   ILE  56           HA       ILE  56 -20.589  -1.851   7.720
  407    HB   ILE  56           HB       ILE  56 -19.600  -0.426  10.224
  408   HG12  ILE  56          HG12      ILE  56 -17.654  -0.780   8.852
  409   HG13  ILE  56          HG13      ILE  56 -17.654  -1.930  10.167
  410   HG21  ILE  56          HG21      ILE  56 -21.248  -2.118  10.773
  411   HG22  ILE  56          HG22      ILE  56 -20.454  -3.312   9.723
  412   HG23  ILE  56          HG23      ILE  56 -19.650  -2.733  11.198
  413   HD11  ILE  56          HD11      ILE  56 -18.386  -2.543   7.266
  414   HD12  ILE  56          HD12      ILE  56 -16.894  -2.979   8.103
  415   HD13  ILE  56          HD13      ILE  56 -18.419  -3.721   8.607
  416    H    MET  57           H        MET  57 -21.283   1.206   9.452
  417    HA   MET  57           HA       MET  57 -23.821   0.147  10.439
  418    HB2  MET  57           HB2      MET  57 -22.775   3.003  10.490
  419    HB3  MET  57           HB3      MET  57 -24.131   2.375  11.424
  420    HG2  MET  57           HG2      MET  57 -22.625   0.793  12.584
  421    HG3  MET  57           HG3      MET  57 -21.244   1.423  11.686
  422    HE1  MET  57           HE1      MET  57 -19.842   1.878  13.797
  423    HE2  MET  57           HE2      MET  57 -20.453   2.706  15.240
  424    HE3  MET  57           HE3      MET  57 -21.148   1.148  14.756
  425    H    ASN  58           H        ASN  58 -22.910   1.815   7.560
  426    HA   ASN  58           HA       ASN  58 -25.443   2.812   6.720
  427    HB2  ASN  58           HB2      ASN  58 -23.223   3.415   5.792
  428    HB3  ASN  58           HB3      ASN  58 -23.064   1.788   5.119
  429   HD21  ASN  58          HD22      ASN  58 -25.184   4.724   5.007
  430   HD22  ASN  58          HD21      ASN  58 -25.672   4.475   3.341
  431    H    GLN  59           H        GLN  59 -24.323  -0.510   6.960
  432    HA   GLN  59           HA       GLN  59 -25.898  -1.600   4.781
  433    HB2  GLN  59           HB2      GLN  59 -23.788  -2.586   5.713
  434    HB3  GLN  59           HB3      GLN  59 -24.666  -3.000   7.193
  435    HG2  GLN  59           HG2      GLN  59 -26.176  -4.473   5.881
  436    HG3  GLN  59           HG3      GLN  59 -25.341  -4.019   4.391
  437   HE21  GLN  59          HE22      GLN  59 -24.834  -5.618   7.601
  438   HE22  GLN  59          HE21      GLN  59 -23.513  -6.624   7.031
  439    H    ALA  60           H        ALA  60 -27.915  -2.570   4.814
  440    HA   ALA  60           HA       ALA  60 -29.750  -1.843   6.942
  441    HB1  ALA  60           HB1      ALA  60 -30.351  -1.765   4.537
  442    HB2  ALA  60           HB2      ALA  60 -30.139  -3.529   4.429
  443    HB3  ALA  60           HB3      ALA  60 -31.426  -2.845   5.441
  444    H    SER  61           H        SER  61 -31.225  -3.326   8.003
  445    HA   SER  61           HA       SER  61 -29.882  -5.645   9.167
  446    HB2  SER  61           HB2      SER  61 -31.944  -5.715  10.578
  447    HB3  SER  61           HB3      SER  61 -31.077  -4.172  10.621
  448    HG   SER  61           HG       SER  61 -33.367  -3.928  10.401
  449    H    GLU  62           H        GLU  62 -31.813  -5.316   6.404
  450    HA   GLU  62           HA       GLU  62 -32.439  -8.232   6.295
  451    HB2  GLU  62           HB2      GLU  62 -34.394  -5.982   5.650
  452    HB3  GLU  62           HB3      GLU  62 -34.609  -7.677   5.195
  453    HG2  GLU  62           HG2      GLU  62 -34.545  -8.325   7.612
  454    HG3  GLU  62           HG3      GLU  62 -34.458  -6.613   8.047
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -4.829  18.883  -6.461
    2    H2   GLY   1           H2       GLY   1  -4.212  19.692  -7.742
    3    H3   GLY   1           H3       GLY   1  -5.683  18.981  -7.858
    4    HA2  GLY   1           HA2      GLY   1  -4.037  17.670  -9.038
    5    HA3  GLY   1           HA3      GLY   1  -3.103  17.576  -7.532
    6    HA   PRO   2           HA       PRO   2  -6.287  14.082  -7.903
    7    HB2  PRO   2           HB2      PRO   2  -4.826  11.992  -8.844
    8    HB3  PRO   2           HB3      PRO   2  -5.480  13.263  -9.924
    9    HG2  PRO   2           HG2      PRO   2  -2.679  13.078  -8.754
   10    HG3  PRO   2           HG3      PRO   2  -3.141  13.337 -10.465
   11    HD2  PRO   2           HD2      PRO   2  -2.520  15.416  -8.811
   12    HD3  PRO   2           HD3      PRO   2  -3.798  15.559 -10.058
   13    H    HIS   3           H        HIS   3  -3.081  14.264  -6.397
   14    HA   HIS   3           HA       HIS   3  -3.940  12.318  -4.291
   15    HB2  HIS   3           HB2      HIS   3  -2.079  11.559  -5.807
   16    HB3  HIS   3           HB3      HIS   3  -1.124  12.937  -5.275
   17    HD1  HIS   3           HD1      HIS   3  -0.268  12.816  -2.626
   18    HD2  HIS   3           HD2      HIS   3  -2.207   9.431  -4.211
   19    HE1  HIS   3           HE1      HIS   3   0.350  10.879  -1.120
   20    H    MET   4           H        MET   4  -3.361  12.834  -2.121
   21    HA   MET   4           HA       MET   4  -3.404  15.681  -1.477
   22    HB2  MET   4           HB2      MET   4  -3.351  13.155   0.222
   23    HB3  MET   4           HB3      MET   4  -3.431  14.777   0.903
   24    HG2  MET   4           HG2      MET   4  -5.488  13.632  -1.030
   25    HG3  MET   4           HG3      MET   4  -5.652  13.683   0.722
   26    HE1  MET   4           HE1      MET   4  -7.754  14.796  -1.412
   27    HE2  MET   4           HE2      MET   4  -8.063  14.890   0.334
   28    HE3  MET   4           HE3      MET   4  -8.251  16.333  -0.675
   29    H    SER   5           H        SER   5  -1.966  16.616   0.207
   30    HA   SER   5           HA       SER   5   0.716  16.619  -0.716
   31    HB2  SER   5           HB2      SER   5  -0.432  17.734   1.868
   32    HB3  SER   5           HB3      SER   5   1.111  18.195   1.119
   33    HG   SER   5           HG       SER   5  -0.563  19.664   0.596
   34    H    TYR   6           H        TYR   6  -0.692  14.582   1.734
   35    HA   TYR   6           HA       TYR   6   2.033  13.515   2.430
   36    HB2  TYR   6           HB2      TYR   6   1.043  14.393   4.417
   37    HB3  TYR   6           HB3      TYR   6  -0.507  13.616   4.080
   38    HD1  TYR   6           HD1      TYR   6   3.130  12.695   4.529
   39    HD2  TYR   6           HD2      TYR   6  -0.993  11.669   5.286
   40    HE1  TYR   6           HE1      TYR   6   3.864  10.721   5.861
   41    HE2  TYR   6           HE2      TYR   6  -0.269   9.707   6.619
   42    HH   TYR   6           HH       TYR   6   1.522   8.502   7.417
   43    H    ASP   7           H        ASP   7  -1.390  12.361   2.328
   44    HA   ASP   7           HA       ASP   7  -0.740  10.098   0.583
   45    HB2  ASP   7           HB2      ASP   7   0.123   9.279   2.707
   46    HB3  ASP   7           HB3      ASP   7  -1.362   9.744   3.533
   47    H    ALA   8           H        ALA   8  -2.484   9.637  -0.642
   48    HA   ALA   8           HA       ALA   8  -5.076  10.858  -0.077
   49    HB1  ALA   8           HB1      ALA   8  -5.697   9.821  -2.232
   50    HB2  ALA   8           HB2      ALA   8  -4.152  10.679  -2.361
   51    HB3  ALA   8           HB3      ALA   8  -4.175   8.904  -2.246
   52    H    ASN   9           H        ASN   9  -3.718   7.609   0.422
   53    HA   ASN   9           HA       ASN   9  -6.198   6.206   0.516
   54    HB2  ASN   9           HB2      ASN   9  -4.047   5.104   0.134
   55    HB3  ASN   9           HB3      ASN   9  -3.504   5.523   1.757
   56   HD21  ASN   9          HD22      ASN   9  -3.924   4.039   3.397
   57   HD22  ASN   9          HD21      ASN   9  -5.067   2.720   3.239
   58    H    VAL  10           H        VAL  10  -4.326   7.760   3.152
   59    HA   VAL  10           HA       VAL  10  -6.256   7.021   5.172
   60    HB   VAL  10           HB       VAL  10  -3.780   7.433   5.480
   61   HG11  VAL  10          HG11      VAL  10  -4.493  10.371   5.809
   62   HG12  VAL  10          HG12      VAL  10  -2.908   9.605   5.965
   63   HG13  VAL  10          HG13      VAL  10  -3.698   9.695   4.381
   64   HG21  VAL  10          HG21      VAL  10  -3.928   8.084   7.781
   65   HG22  VAL  10          HG22      VAL  10  -5.534   8.787   7.548
   66   HG23  VAL  10          HG23      VAL  10  -5.291   7.033   7.367
   67    H    ILE  11           H        ILE  11  -7.387   8.423   2.954
   68    HA   ILE  11           HA       ILE  11  -9.008  10.445   4.313
   69    HB   ILE  11           HB       ILE  11  -6.818  11.166   2.533
   70   HG12  ILE  11          HG12      ILE  11  -8.878  12.815   4.054
   71   HG13  ILE  11          HG13      ILE  11  -7.392  12.147   4.725
   72   HG21  ILE  11          HG21      ILE  11  -7.828  12.682   0.994
   73   HG22  ILE  11          HG22      ILE  11  -8.537  11.107   0.710
   74   HG23  ILE  11          HG23      ILE  11  -9.457  12.349   1.601
   75   HD11  ILE  11          HD11      ILE  11  -7.557  14.315   2.607
   76   HD12  ILE  11          HD12      ILE  11  -7.031  14.476   4.289
   77   HD13  ILE  11          HD13      ILE  11  -6.053  13.528   3.152
   78    H    ASP  12           H        ASP  12 -10.912  11.037   3.167
   79    HA   ASP  12           HA       ASP  12 -11.680   9.599   0.747
   80    HB2  ASP  12           HB2      ASP  12 -12.383   8.099   2.710
   81    HB3  ASP  12           HB3      ASP  12 -13.467   9.416   3.192
   82    H    ASP  13           H        ASP  13 -12.518  11.250  -0.473
   83    HA   ASP  13           HA       ASP  13 -12.953  13.852   0.586
   84    HB2  ASP  13           HB2      ASP  13 -13.677  14.461  -1.613
   85    HB3  ASP  13           HB3      ASP  13 -12.303  13.378  -1.745
   86    H    GLU  14           H        GLU  14 -15.128  11.129   0.488
   87    HA   GLU  14           HA       GLU  14 -17.521  12.818   0.860
   88    HB2  GLU  14           HB2      GLU  14 -17.236   9.809   0.938
   89    HB3  GLU  14           HB3      GLU  14 -18.744  10.702   1.071
   90    HG2  GLU  14           HG2      GLU  14 -18.345  11.690  -1.193
   91    HG3  GLU  14           HG3      GLU  14 -16.899  10.686  -1.352
   92    H    ALA  15           H        ALA  15 -15.463  10.665   2.885
   93    HA   ALA  15           HA       ALA  15 -16.993  11.215   5.298
   94    HB1  ALA  15           HB1      ALA  15 -15.462   9.252   5.035
   95    HB2  ALA  15           HB2      ALA  15 -14.073  10.375   5.060
   96    HB3  ALA  15           HB3      ALA  15 -15.111  10.225   6.479
   97    H    VAL  16           H        VAL  16 -14.110  12.732   3.804
   98    HA   VAL  16           HA       VAL  16 -13.713  14.751   5.794
   99    HB   VAL  16           HB       VAL  16 -12.945  14.675   2.869
  100   HG11  VAL  16          HG11      VAL  16 -12.166  16.735   4.986
  101   HG12  VAL  16          HG12      VAL  16 -11.334  16.512   3.429
  102   HG13  VAL  16          HG13      VAL  16 -13.014  17.050   3.456
  103   HG21  VAL  16          HG21      VAL  16 -11.824  13.028   4.429
  104   HG22  VAL  16          HG22      VAL  16 -10.706  14.225   3.767
  105   HG23  VAL  16          HG23      VAL  16 -11.298  14.388   5.435
  106    H    LYS  17           H        LYS  17 -15.968  14.655   2.975
  107    HA   LYS  17           HA       LYS  17 -16.956  17.346   3.412
  108    HB2  LYS  17           HB2      LYS  17 -17.221  16.131   1.292
  109    HB3  LYS  17           HB3      LYS  17 -18.259  14.931   2.078
  110    HG2  LYS  17           HG2      LYS  17 -19.926  16.702   2.577
  111    HG3  LYS  17           HG3      LYS  17 -18.858  17.913   1.838
  112    HD2  LYS  17           HD2      LYS  17 -19.015  16.701  -0.343
  113    HD3  LYS  17           HD3      LYS  17 -20.036  15.481   0.426
  114    HE2  LYS  17           HE2      LYS  17 -21.505  16.927  -0.766
  115    HE3  LYS  17           HE3      LYS  17 -21.731  17.259   0.954
  116    HZ1  LYS  17           HZ1      LYS  17 -20.090  18.898  -0.918
  117    HZ2  LYS  17           HZ2      LYS  17 -21.578  19.294  -0.382
  118    HZ3  LYS  17           HZ3      LYS  17 -20.328  19.245   0.667
  119    H    GLU  18           H        GLU  18 -18.200  14.113   4.468
  120    HA   GLU  18           HA       GLU  18 -20.389  15.189   5.912
  121    HB2  GLU  18           HB2      GLU  18 -20.200  12.867   5.092
  122    HB3  GLU  18           HB3      GLU  18 -19.024  12.506   6.363
  123    HG2  GLU  18           HG2      GLU  18 -20.681  12.960   8.099
  124    HG3  GLU  18           HG3      GLU  18 -21.844  13.547   6.904
  125    H    VAL  19           H        VAL  19 -17.162  14.199   7.232
  126    HA   VAL  19           HA       VAL  19 -17.635  14.712   9.958
  127    HB   VAL  19           HB       VAL  19 -15.652  13.627   8.906
  128   HG11  VAL  19          HG11      VAL  19 -15.208  15.480   7.278
  129   HG12  VAL  19          HG12      VAL  19 -14.497  16.415   8.580
  130   HG13  VAL  19          HG13      VAL  19 -13.793  14.842   8.107
  131   HG21  VAL  19          HG21      VAL  19 -14.084  14.172  10.627
  132   HG22  VAL  19          HG22      VAL  19 -14.869  15.732  10.951
  133   HG23  VAL  19          HG23      VAL  19 -15.711  14.219  11.326
  134    H    CYS  20           H        CYS  20 -17.303  17.121   7.413
  135    HA   CYS  20           HA       CYS  20 -16.631  19.328   9.115
  136    HB2  CYS  20           HB2      CYS  20 -16.306  19.267   6.653
  137    HB3  CYS  20           HB3      CYS  20 -18.069  19.316   6.418
  138    HG   CYS  20           HG       CYS  20 -16.497  21.431   8.398
  139    H    GLU  21           H        GLU  21 -19.777  17.949   8.085
  140    HA   GLU  21           HA       GLU  21 -21.242  19.948   9.732
  141    HB2  GLU  21           HB2      GLU  21 -23.265  19.029   8.750
  142    HB3  GLU  21           HB3      GLU  21 -22.125  19.619   7.545
  143    HG2  GLU  21           HG2      GLU  21 -21.459  17.312   6.986
  144    HG3  GLU  21           HG3      GLU  21 -22.533  16.674   8.242
  145    H    LYS  22           H        LYS  22 -20.478  16.470   9.712
  146    HA   LYS  22           HA       LYS  22 -22.245  15.709  11.842
  147    HB2  LYS  22           HB2      LYS  22 -21.193  14.295  10.011
  148    HB3  LYS  22           HB3      LYS  22 -19.655  14.467  10.825
  149    HG2  LYS  22           HG2      LYS  22 -20.540  12.310  11.308
  150    HG3  LYS  22           HG3      LYS  22 -20.547  13.243  12.795
  151    HD2  LYS  22           HD2      LYS  22 -22.528  11.785  12.498
  152    HD3  LYS  22           HD3      LYS  22 -22.977  13.497  12.659
  153    HE2  LYS  22           HE2      LYS  22 -23.257  13.649  10.189
  154    HE3  LYS  22           HE3      LYS  22 -22.738  11.968  10.021
  155    HZ1  LYS  22           HZ1      LYS  22 -25.172  12.865  11.476
  156    HZ2  LYS  22           HZ2      LYS  22 -25.156  12.158  10.004
  157    HZ3  LYS  22           HZ3      LYS  22 -24.696  11.303  11.316
  158    H    PHE  23           H        PHE  23 -18.795  16.679  11.821
  159    HA   PHE  23           HA       PHE  23 -18.723  16.626  14.792
  160    HB2  PHE  23           HB2      PHE  23 -17.092  15.392  13.079
  161    HB3  PHE  23           HB3      PHE  23 -16.281  16.954  13.078
  162    HD1  PHE  23           HD1      PHE  23 -17.673  14.310  15.350
  163    HD2  PHE  23           HD2      PHE  23 -14.706  17.393  14.836
  164    HE1  PHE  23           HE1      PHE  23 -16.573  13.594  17.443
  165    HE2  PHE  23           HE2      PHE  23 -13.603  16.676  16.935
  166    HZ   PHE  23           HZ       PHE  23 -14.525  14.773  18.250
  167    H    GLU  24           H        GLU  24 -19.259  18.942  12.442
  168    HA   GLU  24           HA       GLU  24 -19.402  21.179  12.469
  169    HB2  GLU  24           HB2      GLU  24 -19.176  20.917  15.497
  170    HB3  GLU  24           HB3      GLU  24 -19.811  22.298  14.601
  171    HG2  GLU  24           HG2      GLU  24 -21.591  20.843  13.640
  172    HG3  GLU  24           HG3      GLU  24 -21.014  19.500  14.632
  173    H    CYS  25           H        CYS  25 -16.783  20.169  12.054
  174    HA   CYS  25           HA       CYS  25 -15.036  22.472  12.867
  175    HB2  CYS  25           HB2      CYS  25 -14.332  19.512  12.505
  176    HB3  CYS  25           HB3      CYS  25 -13.139  20.811  12.719
  177    HG   CYS  25           HG       CYS  25 -15.660  20.043  14.744
  178    H    THR  26           H        THR  26 -13.355  23.033  11.160
  179    HA   THR  26           HA       THR  26 -14.653  22.946   8.527
  180    HB   THR  26           HB       THR  26 -12.838  24.338   7.715
  181    HG1  THR  26           HG1      THR  26 -11.853  24.072  10.364
  182   HG21  THR  26          HG21      THR  26 -13.225  26.309   9.090
  183   HG22  THR  26          HG22      THR  26 -14.742  25.411   8.901
  184   HG23  THR  26          HG23      THR  26 -13.836  25.320  10.428
  185    H    GLU  27           H        GLU  27 -13.794  22.160   6.583
  186    HA   GLU  27           HA       GLU  27 -12.822  19.507   6.651
  187    HB2  GLU  27           HB2      GLU  27 -12.640  21.563   4.406
  188    HB3  GLU  27           HB3      GLU  27 -12.345  19.828   4.222
  189    HG2  GLU  27           HG2      GLU  27 -14.670  19.341   4.889
  190    HG3  GLU  27           HG3      GLU  27 -14.992  21.061   5.110
  191    H    SER  28           H        SER  28 -10.992  22.582   6.130
  192    HA   SER  28           HA       SER  28  -8.451  21.339   5.724
  193    HB2  SER  28           HB2      SER  28  -7.572  23.631   6.174
  194    HB3  SER  28           HB3      SER  28  -8.835  23.549   4.934
  195    HG   SER  28           HG       SER  28  -9.155  25.285   6.425
  196    H    GLU  29           H        GLU  29 -10.165  22.140   8.749
  197    HA   GLU  29           HA       GLU  29  -7.805  21.765  10.451
  198    HB2  GLU  29           HB2      GLU  29 -10.792  21.728  10.994
  199    HB3  GLU  29           HB3      GLU  29  -9.602  21.353  12.233
  200    HG2  GLU  29           HG2      GLU  29  -8.621  23.514  12.154
  201    HG3  GLU  29           HG3      GLU  29  -9.505  23.966  10.704
  202    H    VAL  30           H        VAL  30 -10.477  19.655   9.270
  203    HA   VAL  30           HA       VAL  30  -9.478  17.332  10.713
  204    HB   VAL  30           HB       VAL  30 -11.410  17.420   8.365
  205   HG11  VAL  30          HG11      VAL  30 -10.555  15.207  10.281
  206   HG12  VAL  30          HG12      VAL  30 -12.078  15.147   9.396
  207   HG13  VAL  30          HG13      VAL  30 -10.559  15.178   8.502
  208   HG21  VAL  30          HG21      VAL  30 -12.227  18.674  10.372
  209   HG22  VAL  30          HG22      VAL  30 -13.152  17.206  10.104
  210   HG23  VAL  30          HG23      VAL  30 -11.933  17.244  11.376
  211    H    MET  31           H        MET  31  -8.979  18.524   7.366
  212    HA   MET  31           HA       MET  31  -7.291  16.412   6.445
  213    HB2  MET  31           HB2      MET  31  -7.253  19.407   5.888
  214    HB3  MET  31           HB3      MET  31  -6.214  18.248   5.057
  215    HG2  MET  31           HG2      MET  31  -8.125  17.071   4.131
  216    HG3  MET  31           HG3      MET  31  -9.251  18.093   5.035
  217    HE1  MET  31           HE1      MET  31 -10.609  18.680   2.820
  218    HE2  MET  31           HE2      MET  31  -9.830  19.209   1.314
  219    HE3  MET  31           HE3      MET  31  -9.510  17.581   1.946
  220    H    ASN  32           H        ASN  32  -6.435  19.297   8.478
  221    HA   ASN  32           HA       ASN  32  -3.665  18.901   8.445
  222    HB2  ASN  32           HB2      ASN  32  -4.811  20.903   9.332
  223    HB3  ASN  32           HB3      ASN  32  -5.337  19.984  10.745
  224   HD21  ASN  32          HD22      ASN  32  -3.832  19.590  12.447
  225   HD22  ASN  32          HD21      ASN  32  -2.192  20.213  12.390
  226    H    SER  33           H        SER  33  -5.975  17.486  10.887
  227    HA   SER  33           HA       SER  33  -3.902  15.970  12.202
  228    HB2  SER  33           HB2      SER  33  -6.878  15.425  12.223
  229    HB3  SER  33           HB3      SER  33  -5.655  14.782  13.342
  230    HG   SER  33           HG       SER  33  -6.569  16.541  14.340
  231    H    LEU  34           H        LEU  34  -5.342  15.376   9.154
  232    HA   LEU  34           HA       LEU  34  -4.553  12.501   9.187
  233    HB2  LEU  34           HB2      LEU  34  -6.145  14.189   7.210
  234    HB3  LEU  34           HB3      LEU  34  -5.769  12.475   6.991
  235    HG   LEU  34           HG       LEU  34  -7.431  13.603   9.299
  236   HD11  LEU  34          HD11      LEU  34  -8.516  13.864   7.059
  237   HD12  LEU  34          HD12      LEU  34  -8.393  12.101   6.836
  238   HD13  LEU  34          HD13      LEU  34  -9.382  12.772   8.150
  239   HD21  LEU  34          HD21      LEU  34  -8.101  11.260   9.679
  240   HD22  LEU  34          HD22      LEU  34  -6.966  10.721   8.430
  241   HD23  LEU  34          HD23      LEU  34  -6.369  11.480   9.927
  242    H    TYR  35           H        TYR  35  -3.429  15.604   8.214
  243    HA   TYR  35           HA       TYR  35  -1.523  14.610   6.188
  244    HB2  TYR  35           HB2      TYR  35  -2.737  16.590   5.635
  245    HB3  TYR  35           HB3      TYR  35  -2.443  17.310   7.212
  246    HD1  TYR  35           HD1      TYR  35  -0.523  16.095   4.216
  247    HD2  TYR  35           HD2      TYR  35  -0.812  18.959   7.417
  248    HE1  TYR  35           HE1      TYR  35   1.557  17.202   3.409
  249    HE2  TYR  35           HE2      TYR  35   1.218  20.116   6.580
  250    HH   TYR  35           HH       TYR  35   2.891  20.122   5.002
  251    H    SER  36           H        SER  36  -1.362  16.408   9.302
  252    HA   SER  36           HA       SER  36   1.442  15.441   9.739
  253    HB2  SER  36           HB2      SER  36   2.152  17.732  10.262
  254    HB3  SER  36           HB3      SER  36   1.564  17.632   8.598
  255    HG   SER  36           HG       SER  36   0.726  19.466   9.740
  256    H    GLY  37           H        GLY  37  -1.608  16.372  11.195
  257    HA2  GLY  37           HA2      GLY  37  -0.539  16.213  13.933
  258    HA3  GLY  37           HA3      GLY  37  -2.246  16.230  13.479
  259    H    ASP  38           H        ASP  38  -1.532  14.537  15.400
  260    HA   ASP  38           HA       ASP  38  -0.643  11.946  14.460
  261    HB2  ASP  38           HB2      ASP  38  -0.130  12.836  16.649
  262    HB3  ASP  38           HB3      ASP  38  -1.841  12.890  17.087
  263    HA   PRO  39           HA       PRO  39  -4.591  10.550  13.019
  264    HB2  PRO  39           HB2      PRO  39  -4.247   7.831  12.837
  265    HB3  PRO  39           HB3      PRO  39  -3.414   9.013  11.785
  266    HG2  PRO  39           HG2      PRO  39  -2.359   7.750  14.339
  267    HG3  PRO  39           HG3      PRO  39  -1.565   7.809  12.728
  268    HD2  PRO  39           HD2      PRO  39  -0.969   9.629  14.624
  269    HD3  PRO  39           HD3      PRO  39  -1.157  10.144  12.922
  270    H    GLN  40           H        GLN  40  -3.818  10.174  16.259
  271    HA   GLN  40           HA       GLN  40  -6.482   8.953  16.887
  272    HB2  GLN  40           HB2      GLN  40  -4.001   9.155  18.640
  273    HB3  GLN  40           HB3      GLN  40  -5.544   8.461  19.114
  274    HG2  GLN  40           HG2      GLN  40  -3.786   7.345  16.877
  275    HG3  GLN  40           HG3      GLN  40  -3.817   6.762  18.534
  276   HE21  GLN  40          HE22      GLN  40  -5.921   7.095  15.583
  277   HE22  GLN  40          HE21      GLN  40  -6.951   5.754  16.063
  278    H    ASP  41           H        ASP  41  -5.247  11.896  16.323
  279    HA   ASP  41           HA       ASP  41  -6.254  13.499  18.493
  280    HB2  ASP  41           HB2      ASP  41  -4.737  14.415  16.827
  281    HB3  ASP  41           HB3      ASP  41  -5.844  13.985  15.519
  282    H    GLN  42           H        GLN  42  -8.262  14.582  18.672
  283    HA   GLN  42           HA       GLN  42 -10.600  13.160  18.279
  284    HB2  GLN  42           HB2      GLN  42 -11.793  15.236  18.733
  285    HB3  GLN  42           HB3      GLN  42 -10.401  15.039  19.807
  286    HG2  GLN  42           HG2      GLN  42  -9.149  16.670  18.278
  287    HG3  GLN  42           HG3      GLN  42 -10.687  16.952  17.452
  288   HE21  GLN  42          HE22      GLN  42 -12.540  17.838  18.831
  289   HE22  GLN  42          HE21      GLN  42 -12.089  18.830  20.209
  290    H    LEU  43           H        LEU  43  -9.188  15.404  15.850
  291    HA   LEU  43           HA       LEU  43 -11.602  15.295  14.187
  292    HB2  LEU  43           HB2      LEU  43  -8.791  16.290  13.617
  293    HB3  LEU  43           HB3      LEU  43 -10.217  16.592  12.630
  294    HG   LEU  43           HG       LEU  43  -9.668  17.648  15.431
  295   HD11  LEU  43          HD11      LEU  43  -9.965  19.071  12.766
  296   HD12  LEU  43          HD12      LEU  43  -9.621  19.830  14.336
  297   HD13  LEU  43          HD13      LEU  43  -8.427  18.751  13.604
  298   HD21  LEU  43          HD21      LEU  43 -12.136  18.073  13.680
  299   HD22  LEU  43          HD22      LEU  43 -12.081  17.229  15.245
  300   HD23  LEU  43          HD23      LEU  43 -11.759  18.959  15.179
  301    H    ALA  44           H        ALA  44  -8.440  13.656  14.217
  302    HA   ALA  44           HA       ALA  44  -8.914  12.138  11.773
  303    HB1  ALA  44           HB1      ALA  44  -7.056  11.619  14.150
  304    HB2  ALA  44           HB2      ALA  44  -7.009  10.780  12.585
  305    HB3  ALA  44           HB3      ALA  44  -6.639  12.512  12.671
  306    H    VAL  45           H        VAL  45  -9.483  11.552  15.237
  307    HA   VAL  45           HA       VAL  45 -10.687   8.963  14.987
  308    HB   VAL  45           HB       VAL  45 -10.949  11.140  17.078
  309   HG11  VAL  45          HG11      VAL  45 -11.983   9.442  18.577
  310   HG12  VAL  45          HG12      VAL  45 -13.042   9.856  17.229
  311   HG13  VAL  45          HG13      VAL  45 -12.129   8.328  17.207
  312   HG21  VAL  45          HG21      VAL  45  -8.757   9.938  16.861
  313   HG22  VAL  45          HG22      VAL  45  -9.552   9.622  18.411
  314   HG23  VAL  45          HG23      VAL  45  -9.597   8.400  17.120
  315    H    ALA  46           H        ALA  46 -12.253  12.265  14.935
  316    HA   ALA  46           HA       ALA  46 -14.907  11.421  14.450
  317    HB1  ALA  46           HB1      ALA  46 -13.471  13.854  13.298
  318    HB2  ALA  46           HB2      ALA  46 -15.215  13.637  13.534
  319    HB3  ALA  46           HB3      ALA  46 -14.140  13.737  14.936
  320    H    TYR  47           H        TYR  47 -12.378  12.163  11.974
  321    HA   TYR  47           HA       TYR  47 -13.790  11.279   9.691
  322    HB2  TYR  47           HB2      TYR  47 -11.783  12.447   9.351
  323    HB3  TYR  47           HB3      TYR  47 -10.864  11.414  10.426
  324    HD1  TYR  47           HD2      TYR  47 -12.485  11.546   7.068
  325    HD2  TYR  47           HD1      TYR  47  -9.798   9.415   9.682
  326    HE1  TYR  47           HE2      TYR  47 -11.818  10.067   5.182
  327    HE2  TYR  47           HE1      TYR  47  -9.109   7.951   7.796
  328    HH   TYR  47           HH       TYR  47 -10.611   8.198   4.553
  329    H    HIS  48           H        HIS  48 -11.660   9.283  11.854
  330    HA   HIS  48           HA       HIS  48 -12.000   6.850  10.452
  331    HB2  HIS  48           HB2      HIS  48 -10.322   7.432  12.267
  332    HB3  HIS  48           HB3      HIS  48 -11.585   7.122  13.454
  333    HD1  HIS  48           HD1      HIS  48 -12.756   4.327  12.519
  334    HD2  HIS  48           HD2      HIS  48  -8.700   5.477  12.285
  335    HE1  HIS  48           HE1      HIS  48 -11.415   2.192  12.428
  336    H    LEU  49           H        LEU  49 -13.954   8.069  13.236
  337    HA   LEU  49           HA       LEU  49 -15.735   5.825  13.404
  338    HB2  LEU  49           HB2      LEU  49 -15.681   8.705  14.344
  339    HB3  LEU  49           HB3      LEU  49 -17.212   7.859  14.391
  340    HG   LEU  49           HG       LEU  49 -16.464   6.220  15.921
  341   HD11  LEU  49          HD11      LEU  49 -13.625   7.286  15.708
  342   HD12  LEU  49          HD12      LEU  49 -14.198   6.081  16.873
  343   HD13  LEU  49          HD13      LEU  49 -14.198   5.702  15.150
  344   HD21  LEU  49          HD21      LEU  49 -17.041   8.437  16.858
  345   HD22  LEU  49          HD22      LEU  49 -15.824   7.616  17.856
  346   HD23  LEU  49          HD23      LEU  49 -15.334   8.927  16.772
  347    H    ILE  50           H        ILE  50 -15.885   8.797  11.450
  348    HA   ILE  50           HA       ILE  50 -18.484   8.161  10.284
  349    HB   ILE  50           HB       ILE  50 -16.256  10.097   9.604
  350   HG12  ILE  50          HG12      ILE  50 -19.131  10.509  10.584
  351   HG13  ILE  50          HG13      ILE  50 -17.757  10.353  11.674
  352   HG21  ILE  50          HG21      ILE  50 -18.929   9.838   8.155
  353   HG22  ILE  50          HG22      ILE  50 -17.766  11.166   7.950
  354   HG23  ILE  50          HG23      ILE  50 -17.326   9.541   7.453
  355   HD11  ILE  50          HD11      ILE  50 -18.118  12.666  11.456
  356   HD12  ILE  50          HD12      ILE  50 -16.674  12.294  10.502
  357   HD13  ILE  50          HD13      ILE  50 -18.240  12.566   9.687
  358    H    ILE  51           H        ILE  51 -15.142   7.452   9.256
  359    HA   ILE  51           HA       ILE  51 -15.868   6.046   6.821
  360    HB   ILE  51           HB       ILE  51 -13.486   5.936   8.699
  361   HG12  ILE  51          HG12      ILE  51 -13.821   7.957   7.216
  362   HG13  ILE  51          HG13      ILE  51 -12.298   7.103   7.066
  363   HG21  ILE  51          HG21      ILE  51 -12.303   4.581   6.954
  364   HG22  ILE  51          HG22      ILE  51 -13.548   3.695   7.842
  365   HG23  ILE  51          HG23      ILE  51 -13.881   4.273   6.195
  366   HD11  ILE  51          HD11      ILE  51 -13.211   7.851   4.906
  367   HD12  ILE  51          HD12      ILE  51 -12.994   6.101   4.945
  368   HD13  ILE  51          HD13      ILE  51 -14.626   6.803   5.114
  369    H    ASP  52           H        ASP  52 -15.528   4.894  10.217
  370    HA   ASP  52           HA       ASP  52 -16.190   2.183   9.660
  371    HB2  ASP  52           HB2      ASP  52 -16.703   3.813  12.173
  372    HB3  ASP  52           HB3      ASP  52 -16.846   2.062  12.037
  373    H    ASN  53           H        ASN  53 -18.368   4.926  10.551
  374    HA   ASN  53           HA       ASN  53 -20.821   3.444  10.335
  375    HB2  ASN  53           HB2      ASN  53 -20.120   6.385  10.145
  376    HB3  ASN  53           HB3      ASN  53 -21.734   5.826   9.715
  377   HD21  ASN  53          HD22      ASN  53 -19.365   5.882  12.428
  378   HD22  ASN  53          HD21      ASN  53 -20.607   5.746  13.665
  379    H    ARG  54           H        ARG  54 -19.178   5.457   7.866
  380    HA   ARG  54           HA       ARG  54 -20.865   5.021   5.689
  381    HB2  ARG  54           HB2      ARG  54 -19.222   6.755   5.800
  382    HB3  ARG  54           HB3      ARG  54 -17.902   5.590   5.931
  383    HG2  ARG  54           HG2      ARG  54 -18.166   4.911   3.620
  384    HG3  ARG  54           HG3      ARG  54 -19.607   5.933   3.439
  385    HD2  ARG  54           HD2      ARG  54 -18.323   7.951   3.717
  386    HD3  ARG  54           HD3      ARG  54 -16.947   7.070   4.381
  387    HE   ARG  54           HE       ARG  54 -16.100   6.883   2.283
  388   HH11  ARG  54          HH11      ARG  54 -19.616   7.193   1.731
  389   HH12  ARG  54          HH12      ARG  54 -19.354   7.424   0.023
  390   HH21  ARG  54          HH21      ARG  54 -15.909   7.295   0.220
  391   HH22  ARG  54          HH22      ARG  54 -17.312   7.536  -0.814
  392    H    ARG  55           H        ARG  55 -17.911   3.158   6.435
  393    HA   ARG  55           HA       ARG  55 -18.418   1.379   4.123
  394    HB2  ARG  55           HB2      ARG  55 -16.008   1.575   5.970
  395    HB3  ARG  55           HB3      ARG  55 -16.135   0.585   4.516
  396    HG2  ARG  55           HG2      ARG  55 -16.549   2.696   3.177
  397    HG3  ARG  55           HG3      ARG  55 -16.196   3.631   4.640
  398    HD2  ARG  55           HD2      ARG  55 -13.944   2.515   4.744
  399    HD3  ARG  55           HD3      ARG  55 -14.318   1.713   3.209
  400    HE   ARG  55           HE       ARG  55 -14.742   4.428   2.737
  401   HH11  ARG  55          HH11      ARG  55 -11.946   2.437   3.584
  402   HH12  ARG  55          HH12      ARG  55 -10.826   3.526   2.831
  403   HH21  ARG  55          HH21      ARG  55 -13.245   5.825   1.818
  404   HH22  ARG  55          HH22      ARG  55 -11.554   5.400   1.819
  405    H    ILE  56           H        ILE  56 -18.233   1.059   7.689
  406    HA   ILE  56           HA       ILE  56 -18.594  -1.904   7.458
  407    HB   ILE  56           HB       ILE  56 -18.000  -0.293   9.962
  408   HG12  ILE  56          HG12      ILE  56 -16.167   0.198   8.445
  409   HG13  ILE  56          HG13      ILE  56 -15.639  -0.867   9.726
  410   HG21  ILE  56          HG21      ILE  56 -17.728  -3.246   9.312
  411   HG22  ILE  56          HG22      ILE  56 -17.048  -2.461  10.756
  412   HG23  ILE  56          HG23      ILE  56 -18.793  -2.483  10.516
  413   HD11  ILE  56          HD11      ILE  56 -16.262  -1.732   6.861
  414   HD12  ILE  56          HD12      ILE  56 -14.660  -1.509   7.576
  415   HD13  ILE  56          HD13      ILE  56 -15.706  -2.808   8.166
  416    H    MET  57           H        MET  57 -20.374   0.934   8.430
  417    HA   MET  57           HA       MET  57 -22.727   1.040   8.412
  418    HB2  MET  57           HB2      MET  57 -23.112  -1.435   8.280
  419    HB3  MET  57           HB3      MET  57 -22.838  -1.527  10.032
  420    HG2  MET  57           HG2      MET  57 -25.202  -1.502   9.550
  421    HG3  MET  57           HG3      MET  57 -24.770  -0.031  10.401
  422    HE1  MET  57           HE1      MET  57 -27.026   1.101   9.838
  423    HE2  MET  57           HE2      MET  57 -27.744   1.161   8.218
  424    HE3  MET  57           HE3      MET  57 -27.540  -0.404   9.033
  425    H    ASN  58           H        ASN  58 -20.516   0.266  10.992
  426    HA   ASN  58           HA       ASN  58 -21.238   2.571  12.558
  427    HB2  ASN  58           HB2      ASN  58 -21.936   1.345  14.610
  428    HB3  ASN  58           HB3      ASN  58 -23.090   1.180  13.298
  429   HD21  ASN  58          HD22      ASN  58 -20.575  -0.572  15.196
  430   HD22  ASN  58          HD21      ASN  58 -21.141  -2.153  14.693
  431    H    GLN  59           H        GLN  59 -19.889   2.833  14.478
  432    HA   GLN  59           HA       GLN  59 -17.168   1.848  14.229
  433    HB2  GLN  59           HB2      GLN  59 -16.715   3.118  16.225
  434    HB3  GLN  59           HB3      GLN  59 -17.689   4.078  15.117
  435    HG2  GLN  59           HG2      GLN  59 -19.746   3.427  16.512
  436    HG3  GLN  59           HG3      GLN  59 -18.637   2.694  17.672
  437   HE21  GLN  59          HE22      GLN  59 -17.270   4.131  18.974
  438   HE22  GLN  59          HE21      GLN  59 -17.583   5.865  18.998
  439    H    ALA  60           H        ALA  60 -16.017   0.436  15.641
  440    HA   ALA  60           HA       ALA  60 -17.557  -1.917  16.286
  441    HB1  ALA  60           HB1      ALA  60 -15.336  -2.881  16.719
  442    HB2  ALA  60           HB2      ALA  60 -15.329  -1.952  15.210
  443    HB3  ALA  60           HB3      ALA  60 -14.601  -1.267  16.686
  444    H    SER  61           H        SER  61 -16.533   0.755  18.244
  445    HA   SER  61           HA       SER  61 -17.744  -0.260  20.665
  446    HB2  SER  61           HB2      SER  61 -15.697  -0.204  22.056
  447    HB3  SER  61           HB3      SER  61 -15.671  -1.501  20.862
  448    HG   SER  61           HG       SER  61 -13.673  -0.377  20.986
  449    H    GLU  62           H        GLU  62 -17.591   1.330  22.462
  450    HA   GLU  62           HA       GLU  62 -17.790   4.108  21.443
  451    HB2  GLU  62           HB2      GLU  62 -18.609   2.825  24.075
  452    HB3  GLU  62           HB3      GLU  62 -18.791   4.538  23.682
  453    HG2  GLU  62           HG2      GLU  62 -20.249   3.953  21.754
  454    HG3  GLU  62           HG3      GLU  62 -20.117   2.244  22.182
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   5.179   9.251  -3.230
    2    H2   GLY   1           H2       GLY   1   3.663   9.133  -3.834
    3    H3   GLY   1           H3       GLY   1   3.899   9.167  -2.214
    4    HA2  GLY   1           HA2      GLY   1   4.805   7.013  -4.022
    5    HA3  GLY   1           HA3      GLY   1   5.074   7.052  -2.270
    6    HA   PRO   2           HA       PRO   2   0.778   5.421  -3.733
    7    HB2  PRO   2           HB2      PRO   2   1.093   2.726  -4.106
    8    HB3  PRO   2           HB3      PRO   2   1.453   3.947  -5.368
    9    HG2  PRO   2           HG2      PRO   2   3.404   2.633  -3.446
   10    HG3  PRO   2           HG3      PRO   2   3.546   2.793  -5.226
   11    HD2  PRO   2           HD2      PRO   2   4.769   4.543  -3.562
   12    HD3  PRO   2           HD3      PRO   2   3.997   5.106  -5.079
   13    H    HIS   3           H        HIS   3   2.996   4.147  -1.250
   14    HA   HIS   3           HA       HIS   3   1.152   2.575   0.201
   15    HB2  HIS   3           HB2      HIS   3   3.700   2.761   0.378
   16    HB3  HIS   3           HB3      HIS   3   3.449   4.184   1.386
   17    HD1  HIS   3           HD1      HIS   3   1.079   2.922   3.234
   18    HD2  HIS   3           HD2      HIS   3   4.684   1.087   2.091
   19    HE1  HIS   3           HE1      HIS   3   1.554   1.123   4.991
   20    H    MET   4           H        MET   4   1.234   6.058  -0.053
   21    HA   MET   4           HA       MET   4  -0.250   6.689   2.354
   22    HB2  MET   4           HB2      MET   4   0.008   8.183  -0.286
   23    HB3  MET   4           HB3      MET   4  -0.735   8.820   1.189
   24    HG2  MET   4           HG2      MET   4   1.430   8.375   2.410
   25    HG3  MET   4           HG3      MET   4   2.167   7.969   0.859
   26    HE1  MET   4           HE1      MET   4   4.070   9.721   1.476
   27    HE2  MET   4           HE2      MET   4   3.746  11.425   1.852
   28    HE3  MET   4           HE3      MET   4   3.215  10.152   2.972
   29    H    SER   5           H        SER   5  -1.225   4.925  -0.368
   30    HA   SER   5           HA       SER   5  -4.100   5.529  -0.247
   31    HB2  SER   5           HB2      SER   5  -2.759   2.995  -1.268
   32    HB3  SER   5           HB3      SER   5  -4.366   3.606  -1.660
   33    HG   SER   5           HG       SER   5  -1.827   4.494  -2.510
   34    H    TYR   6           H        TYR   6  -1.906   3.777   1.757
   35    HA   TYR   6           HA       TYR   6  -4.102   2.232   3.092
   36    HB2  TYR   6           HB2      TYR   6  -1.217   1.371   2.659
   37    HB3  TYR   6           HB3      TYR   6  -2.506   0.424   3.382
   38    HD1  TYR   6           HD2      TYR   6  -4.576  -0.130   1.880
   39    HD2  TYR   6           HD1      TYR   6  -0.784   1.225   0.340
   40    HE1  TYR   6           HE2      TYR   6  -5.170  -1.031  -0.361
   41    HE2  TYR   6           HE1      TYR   6  -1.371   0.329  -1.908
   42    HH   TYR   6           HH       TYR   6  -4.492  -1.316  -2.539
   43    H    ASP   7           H        ASP   7  -1.157   4.151   3.502
   44    HA   ASP   7           HA       ASP   7  -0.750   3.768   6.315
   45    HB2  ASP   7           HB2      ASP   7   0.928   4.698   4.746
   46    HB3  ASP   7           HB3      ASP   7  -0.086   6.119   4.506
   47    H    ALA   8           H        ALA   8  -1.253   5.161   8.079
   48    HA   ALA   8           HA       ALA   8  -3.943   5.877   8.340
   49    HB1  ALA   8           HB1      ALA   8  -2.393   5.305  10.190
   50    HB2  ALA   8           HB2      ALA   8  -1.526   6.839   9.947
   51    HB3  ALA   8           HB3      ALA   8  -3.220   6.841  10.490
   52    H    ASN   9           H        ASN   9  -1.442   7.879   6.897
   53    HA   ASN   9           HA       ASN   9  -2.831  10.382   7.265
   54    HB2  ASN   9           HB2      ASN   9  -1.221  11.346   5.903
   55    HB3  ASN   9           HB3      ASN   9  -0.358  10.100   6.777
   56   HD21  ASN   9          HD22      ASN   9   0.614  11.315   4.407
   57   HD22  ASN   9          HD21      ASN   9   0.601  10.127   3.116
   58    H    VAL  10           H        VAL  10  -3.603   7.723   5.269
   59    HA   VAL  10           HA       VAL  10  -4.693   8.865   2.971
   60    HB   VAL  10           HB       VAL  10  -4.456   6.428   3.483
   61   HG11  VAL  10          HG11      VAL  10  -6.159   5.175   4.622
   62   HG12  VAL  10          HG12      VAL  10  -5.605   6.438   5.736
   63   HG13  VAL  10          HG13      VAL  10  -7.151   6.622   4.891
   64   HG21  VAL  10          HG21      VAL  10  -6.312   5.682   2.124
   65   HG22  VAL  10          HG22      VAL  10  -7.219   7.166   2.448
   66   HG23  VAL  10          HG23      VAL  10  -5.713   7.230   1.504
   67    H    ILE  11           H        ILE  11  -6.702   9.682   2.329
   68    HA   ILE  11           HA       ILE  11  -8.770  10.196   4.373
   69    HB   ILE  11           HB       ILE  11  -6.956  12.112   3.844
   70   HG12  ILE  11          HG12      ILE  11  -9.907  12.664   4.328
   71   HG13  ILE  11          HG13      ILE  11  -8.782  12.082   5.540
   72   HG21  ILE  11          HG21      ILE  11  -7.653  12.204   1.396
   73   HG22  ILE  11          HG22      ILE  11  -9.205  12.889   1.946
   74   HG23  ILE  11          HG23      ILE  11  -7.689  13.749   2.254
   75   HD11  ILE  11          HD11      ILE  11  -7.387  14.144   5.213
   76   HD12  ILE  11          HD12      ILE  11  -8.628  14.766   4.102
   77   HD13  ILE  11          HD13      ILE  11  -9.032  14.484   5.799
   78    H    ASP  12           H        ASP  12 -10.817  11.106   3.347
   79    HA   ASP  12           HA       ASP  12 -11.221  10.385   0.521
   80    HB2  ASP  12           HB2      ASP  12 -11.925   8.424   2.046
   81    HB3  ASP  12           HB3      ASP  12 -13.221   9.474   2.618
   82    H    ASP  13           H        ASP  13 -12.301  11.988  -0.469
   83    HA   ASP  13           HA       ASP  13 -13.011  14.405   0.820
   84    HB2  ASP  13           HB2      ASP  13 -12.370  14.100  -1.574
   85    HB3  ASP  13           HB3      ASP  13 -13.932  13.341  -1.875
   86    H    GLU  14           H        GLU  14 -14.972  11.512   0.174
   87    HA   GLU  14           HA       GLU  14 -17.539  12.761   0.770
   88    HB2  GLU  14           HB2      GLU  14 -16.699   9.841   0.843
   89    HB3  GLU  14           HB3      GLU  14 -18.346  10.426   1.028
   90    HG2  GLU  14           HG2      GLU  14 -16.621  10.774  -1.467
   91    HG3  GLU  14           HG3      GLU  14 -17.922   9.607  -1.251
   92    H    ALA  15           H        ALA  15 -15.152  10.880   2.696
   93    HA   ALA  15           HA       ALA  15 -16.682  11.046   5.141
   94    HB1  ALA  15           HB1      ALA  15 -14.950   9.351   4.767
   95    HB2  ALA  15           HB2      ALA  15 -13.693  10.616   4.698
   96    HB3  ALA  15           HB3      ALA  15 -14.584  10.313   6.209
   97    H    VAL  16           H        VAL  16 -14.015  13.071   3.822
   98    HA   VAL  16           HA       VAL  16 -13.887  14.922   5.993
   99    HB   VAL  16           HB       VAL  16 -13.362  15.347   3.027
  100   HG11  VAL  16          HG11      VAL  16 -12.026  17.352   3.743
  101   HG12  VAL  16          HG12      VAL  16 -13.764  17.565   3.969
  102   HG13  VAL  16          HG13      VAL  16 -12.724  17.207   5.370
  103   HG21  VAL  16          HG21      VAL  16 -11.881  13.725   4.291
  104   HG22  VAL  16          HG22      VAL  16 -11.016  15.116   3.645
  105   HG23  VAL  16          HG23      VAL  16 -11.434  15.042   5.374
  106    H    LYS  17           H        LYS  17 -15.991  15.055   3.046
  107    HA   LYS  17           HA       LYS  17 -17.463  17.388   3.712
  108    HB2  LYS  17           HB2      LYS  17 -17.473  16.326   1.525
  109    HB3  LYS  17           HB3      LYS  17 -18.194  14.860   2.195
  110    HG2  LYS  17           HG2      LYS  17 -20.280  16.116   2.704
  111    HG3  LYS  17           HG3      LYS  17 -19.528  17.600   2.091
  112    HD2  LYS  17           HD2      LYS  17 -21.023  16.635   0.406
  113    HD3  LYS  17           HD3      LYS  17 -19.347  16.586  -0.161
  114    HE2  LYS  17           HE2      LYS  17 -19.187  14.193   0.532
  115    HE3  LYS  17           HE3      LYS  17 -20.858  14.236   1.097
  116    HZ1  LYS  17           HZ1      LYS  17 -20.020  14.709  -1.714
  117    HZ2  LYS  17           HZ2      LYS  17 -20.547  13.278  -1.139
  118    HZ3  LYS  17           HZ3      LYS  17 -21.570  14.577  -1.178
  119    H    GLU  18           H        GLU  18 -18.193  13.947   4.577
  120    HA   GLU  18           HA       GLU  18 -20.495  14.586   6.163
  121    HB2  GLU  18           HB2      GLU  18 -18.605  12.214   6.197
  122    HB3  GLU  18           HB3      GLU  18 -20.030  12.318   7.233
  123    HG2  GLU  18           HG2      GLU  18 -20.109  12.434   4.188
  124    HG3  GLU  18           HG3      GLU  18 -20.397  10.991   5.154
  125    H    VAL  19           H        VAL  19 -17.076  14.092   7.249
  126    HA   VAL  19           HA       VAL  19 -17.432  14.589  10.010
  127    HB   VAL  19           HB       VAL  19 -15.074  15.384   8.282
  128   HG11  VAL  19          HG11      VAL  19 -15.302  15.038  11.310
  129   HG12  VAL  19          HG12      VAL  19 -13.764  15.171  10.444
  130   HG13  VAL  19          HG13      VAL  19 -14.896  16.532  10.439
  131   HG21  VAL  19          HG21      VAL  19 -14.150  13.300   8.506
  132   HG22  VAL  19          HG22      VAL  19 -14.923  12.976  10.062
  133   HG23  VAL  19          HG23      VAL  19 -15.844  12.793   8.576
  134    H    CYS  20           H        CYS  20 -17.078  16.979   7.350
  135    HA   CYS  20           HA       CYS  20 -16.891  19.281   8.967
  136    HB2  CYS  20           HB2      CYS  20 -16.393  19.111   6.525
  137    HB3  CYS  20           HB3      CYS  20 -18.135  19.000   6.186
  138    HG   CYS  20           HG       CYS  20 -16.796  21.380   8.050
  139    H    GLU  21           H        GLU  21 -19.807  17.474   8.047
  140    HA   GLU  21           HA       GLU  21 -21.581  19.489   9.320
  141    HB2  GLU  21           HB2      GLU  21 -22.222  18.441   7.177
  142    HB3  GLU  21           HB3      GLU  21 -22.238  16.848   7.956
  143    HG2  GLU  21           HG2      GLU  21 -24.042  17.573   9.462
  144    HG3  GLU  21           HG3      GLU  21 -23.963  19.216   8.808
  145    H    LYS  22           H        LYS  22 -20.768  16.005   9.706
  146    HA   LYS  22           HA       LYS  22 -22.372  15.511  11.980
  147    HB2  LYS  22           HB2      LYS  22 -21.445  13.889  10.294
  148    HB3  LYS  22           HB3      LYS  22 -19.846  14.150  10.956
  149    HG2  LYS  22           HG2      LYS  22 -20.725  12.049  11.721
  150    HG3  LYS  22           HG3      LYS  22 -20.502  13.126  13.090
  151    HD2  LYS  22           HD2      LYS  22 -22.537  11.748  13.229
  152    HD3  LYS  22           HD3      LYS  22 -22.900  13.486  13.263
  153    HE2  LYS  22           HE2      LYS  22 -23.528  13.400  10.845
  154    HE3  LYS  22           HE3      LYS  22 -23.122  11.679  10.806
  155    HZ1  LYS  22           HZ1      LYS  22 -25.272  12.885  12.466
  156    HZ2  LYS  22           HZ2      LYS  22 -25.501  12.029  11.094
  157    HZ3  LYS  22           HZ3      LYS  22 -24.903  11.286  12.419
  158    H    PHE  23           H        PHE  23 -18.919  16.411  11.784
  159    HA   PHE  23           HA       PHE  23 -18.720  16.543  14.747
  160    HB2  PHE  23           HB2      PHE  23 -17.142  15.224  13.104
  161    HB3  PHE  23           HB3      PHE  23 -16.411  16.801  12.825
  162    HD1  PHE  23           HD2      PHE  23 -17.596  14.639  15.682
  163    HD2  PHE  23           HD1      PHE  23 -14.540  17.297  14.197
  164    HE1  PHE  23           HE2      PHE  23 -16.293  14.299  17.762
  165    HE2  PHE  23           HE1      PHE  23 -13.228  16.936  16.270
  166    HZ   PHE  23           HZ       PHE  23 -14.115  15.455  18.066
  167    H    GLU  24           H        GLU  24 -19.450  18.697  12.307
  168    HA   GLU  24           HA       GLU  24 -19.651  20.920  12.191
  169    HB2  GLU  24           HB2      GLU  24 -19.364  20.814  15.225
  170    HB3  GLU  24           HB3      GLU  24 -20.073  22.128  14.287
  171    HG2  GLU  24           HG2      GLU  24 -21.817  20.572  13.427
  172    HG3  GLU  24           HG3      GLU  24 -21.172  19.295  14.468
  173    H    CYS  25           H        CYS  25 -16.975  19.990  11.833
  174    HA   CYS  25           HA       CYS  25 -15.303  22.359  12.621
  175    HB2  CYS  25           HB2      CYS  25 -14.530  19.443  12.123
  176    HB3  CYS  25           HB3      CYS  25 -13.371  20.773  12.346
  177    HG   CYS  25           HG       CYS  25 -15.822  19.895  14.423
  178    H    THR  26           H        THR  26 -13.544  22.905  10.971
  179    HA   THR  26           HA       THR  26 -14.771  23.041   8.293
  180    HB   THR  26           HB       THR  26 -12.872  24.397   7.639
  181    HG1  THR  26           HG1      THR  26 -11.953  23.873  10.276
  182   HG21  THR  26          HG21      THR  26 -14.740  25.494   8.866
  183   HG22  THR  26          HG22      THR  26 -13.862  25.266  10.389
  184   HG23  THR  26          HG23      THR  26 -13.182  26.300   9.110
  185    H    GLU  27           H        GLU  27 -13.861  22.233   6.371
  186    HA   GLU  27           HA       GLU  27 -13.031  19.541   6.420
  187    HB2  GLU  27           HB2      GLU  27 -12.630  21.637   4.237
  188    HB3  GLU  27           HB3      GLU  27 -12.454  19.898   4.013
  189    HG2  GLU  27           HG2      GLU  27 -14.835  19.563   4.643
  190    HG3  GLU  27           HG3      GLU  27 -15.029  21.305   4.849
  191    H    SER  28           H        SER  28 -10.999  22.479   5.959
  192    HA   SER  28           HA       SER  28  -8.493  21.275   5.671
  193    HB2  SER  28           HB2      SER  28  -9.127  23.891   7.096
  194    HB3  SER  28           HB3      SER  28  -7.585  23.433   6.351
  195    HG   SER  28           HG       SER  28  -8.815  24.757   4.952
  196    H    GLU  29           H        GLU  29 -10.322  21.711   8.711
  197    HA   GLU  29           HA       GLU  29  -8.033  21.093  10.432
  198    HB2  GLU  29           HB2      GLU  29 -11.031  21.143  10.917
  199    HB3  GLU  29           HB3      GLU  29  -9.863  20.720  12.149
  200    HG2  GLU  29           HG2      GLU  29  -8.831  22.857  12.132
  201    HG3  GLU  29           HG3      GLU  29  -9.687  23.361  10.676
  202    H    VAL  30           H        VAL  30 -10.569  19.218   8.776
  203    HA   VAL  30           HA       VAL  30 -10.002  16.694  10.112
  204    HB   VAL  30           HB       VAL  30 -11.108  16.952   7.295
  205   HG11  VAL  30          HG11      VAL  30 -10.563  14.663   8.026
  206   HG12  VAL  30          HG12      VAL  30 -11.515  14.894   9.509
  207   HG13  VAL  30          HG13      VAL  30 -12.312  14.874   7.921
  208   HG21  VAL  30          HG21      VAL  30 -12.616  17.250   9.929
  209   HG22  VAL  30          HG22      VAL  30 -12.486  18.454   8.631
  210   HG23  VAL  30          HG23      VAL  30 -13.385  16.977   8.342
  211    H    MET  31           H        MET  31  -8.834  18.299   7.154
  212    HA   MET  31           HA       MET  31  -6.968  16.238   6.359
  213    HB2  MET  31           HB2      MET  31  -6.916  19.251   5.842
  214    HB3  MET  31           HB3      MET  31  -5.956  18.036   4.991
  215    HG2  MET  31           HG2      MET  31  -7.985  17.005   4.087
  216    HG3  MET  31           HG3      MET  31  -9.004  18.123   4.995
  217    HE1  MET  31           HE1      MET  31  -9.517  17.659   2.021
  218    HE2  MET  31           HE2      MET  31 -10.388  18.883   2.968
  219    HE3  MET  31           HE3      MET  31  -9.687  19.315   1.396
  220    H    ASN  32           H        ASN  32  -6.501  19.226   8.341
  221    HA   ASN  32           HA       ASN  32  -3.777  19.169   8.653
  222    HB2  ASN  32           HB2      ASN  32  -5.213  20.965   9.453
  223    HB3  ASN  32           HB3      ASN  32  -5.891  19.935  10.708
  224   HD21  ASN  32          HD22      ASN  32  -4.637  19.507  12.636
  225   HD22  ASN  32          HD21      ASN  32  -3.154  20.387  12.941
  226    H    SER  33           H        SER  33  -6.004  17.513  11.027
  227    HA   SER  33           HA       SER  33  -3.795  16.425  12.486
  228    HB2  SER  33           HB2      SER  33  -6.690  15.536  12.466
  229    HB3  SER  33           HB3      SER  33  -5.446  15.052  13.643
  230    HG   SER  33           HG       SER  33  -6.553  16.808  14.500
  231    H    LEU  34           H        LEU  34  -5.064  15.306   9.490
  232    HA   LEU  34           HA       LEU  34  -3.871  12.610   9.829
  233    HB2  LEU  34           HB2      LEU  34  -5.601  13.886   7.672
  234    HB3  LEU  34           HB3      LEU  34  -4.962  12.245   7.572
  235    HG   LEU  34           HG       LEU  34  -6.836  13.243   9.770
  236   HD11  LEU  34          HD11      LEU  34  -8.579  12.011   8.656
  237   HD12  LEU  34          HD12      LEU  34  -7.906  13.216   7.555
  238   HD13  LEU  34          HD13      LEU  34  -7.456  11.499   7.369
  239   HD21  LEU  34          HD21      LEU  34  -5.490  11.319  10.550
  240   HD22  LEU  34          HD22      LEU  34  -7.151  10.798  10.229
  241   HD23  LEU  34          HD23      LEU  34  -5.877  10.428   9.058
  242    H    TYR  35           H        TYR  35  -3.208  15.729   8.410
  243    HA   TYR  35           HA       TYR  35  -1.105  14.683   6.608
  244    HB2  TYR  35           HB2      TYR  35  -2.724  16.345   5.820
  245    HB3  TYR  35           HB3      TYR  35  -2.274  17.445   7.115
  246    HD1  TYR  35           HD2      TYR  35  -0.847  15.629   4.149
  247    HD2  TYR  35           HD1      TYR  35  -0.583  19.049   6.761
  248    HE1  TYR  35           HE2      TYR  35   0.919  16.591   2.689
  249    HE2  TYR  35           HE1      TYR  35   1.187  20.025   5.305
  250    HH   TYR  35           HH       TYR  35   2.352  18.354   2.349
  251    H    SER  36           H        SER  36  -1.336  16.916   9.407
  252    HA   SER  36           HA       SER  36   1.634  16.743   9.820
  253    HB2  SER  36           HB2      SER  36   1.566  19.187  10.259
  254    HB3  SER  36           HB3      SER  36   1.131  18.774   8.593
  255    HG   SER  36           HG       SER  36  -0.291  20.338   9.604
  256    H    GLY  37           H        GLY  37  -1.469  16.609  11.365
  257    HA2  GLY  37           HA2      GLY  37  -0.347  16.966  14.098
  258    HA3  GLY  37           HA3      GLY  37  -2.018  16.575  13.677
  259    H    ASP  38           H        ASP  38  -2.439  14.671  14.655
  260    HA   ASP  38           HA       ASP  38  -0.758  12.323  14.016
  261    HB2  ASP  38           HB2      ASP  38   0.014  13.197  16.181
  262    HB3  ASP  38           HB3      ASP  38  -1.624  13.092  16.824
  263    HA   PRO  39           HA       PRO  39  -4.746  10.581  13.100
  264    HB2  PRO  39           HB2      PRO  39  -3.449   7.994  13.987
  265    HB3  PRO  39           HB3      PRO  39  -4.486   8.307  12.556
  266    HG2  PRO  39           HG2      PRO  39  -1.799   8.224  12.280
  267    HG3  PRO  39           HG3      PRO  39  -2.728   9.527  11.470
  268    HD2  PRO  39           HD2      PRO  39  -1.168   9.658  14.060
  269    HD3  PRO  39           HD3      PRO  39  -1.228  10.819  12.699
  270    H    GLN  40           H        GLN  40  -3.518  10.355  16.369
  271    HA   GLN  40           HA       GLN  40  -6.014   9.117  17.416
  272    HB2  GLN  40           HB2      GLN  40  -3.480  10.055  18.820
  273    HB3  GLN  40           HB3      GLN  40  -4.827   9.220  19.584
  274    HG2  GLN  40           HG2      GLN  40  -3.051   8.019  17.412
  275    HG3  GLN  40           HG3      GLN  40  -2.908   7.724  19.136
  276   HE21  GLN  40          HE22      GLN  40  -4.891   7.023  16.251
  277   HE22  GLN  40          HE21      GLN  40  -5.822   5.757  17.031
  278    H    ASP  41           H        ASP  41  -5.122  12.219  16.498
  279    HA   ASP  41           HA       ASP  41  -6.346  13.797  18.589
  280    HB2  ASP  41           HB2      ASP  41  -4.734  14.748  17.024
  281    HB3  ASP  41           HB3      ASP  41  -5.772  14.322  15.660
  282    H    GLN  42           H        GLN  42  -8.362  14.866  18.558
  283    HA   GLN  42           HA       GLN  42 -10.633  13.293  18.117
  284    HB2  GLN  42           HB2      GLN  42 -10.352  16.326  18.324
  285    HB3  GLN  42           HB3      GLN  42 -11.882  15.454  18.405
  286    HG2  GLN  42           HG2      GLN  42 -11.071  14.195  20.395
  287    HG3  GLN  42           HG3      GLN  42  -9.564  15.112  20.363
  288   HE21  GLN  42          HE22      GLN  42 -13.122  15.414  20.875
  289   HE22  GLN  42          HE21      GLN  42 -12.994  16.934  21.745
  290    H    LEU  43           H        LEU  43  -9.254  15.685  15.788
  291    HA   LEU  43           HA       LEU  43 -11.523  15.542  13.951
  292    HB2  LEU  43           HB2      LEU  43  -8.645  16.489  13.708
  293    HB3  LEU  43           HB3      LEU  43  -9.817  16.666  12.420
  294    HG   LEU  43           HG       LEU  43 -10.545  17.751  15.156
  295   HD11  LEU  43          HD11      LEU  43  -9.483  19.920  14.567
  296   HD12  LEU  43          HD12      LEU  43  -8.317  18.632  14.894
  297   HD13  LEU  43          HD13      LEU  43  -8.643  19.115  13.223
  298   HD21  LEU  43          HD21      LEU  43 -11.126  18.647  12.300
  299   HD22  LEU  43          HD22      LEU  43 -12.230  17.749  13.360
  300   HD23  LEU  43          HD23      LEU  43 -11.749  19.403  13.779
  301    H    ALA  44           H        ALA  44  -8.433  13.810  14.207
  302    HA   ALA  44           HA       ALA  44  -8.813  12.259  11.756
  303    HB1  ALA  44           HB1      ALA  44  -6.564  12.718  12.620
  304    HB2  ALA  44           HB2      ALA  44  -6.958  11.923  14.161
  305    HB3  ALA  44           HB3      ALA  44  -6.891  10.973  12.665
  306    H    VAL  45           H        VAL  45  -9.379  11.692  15.236
  307    HA   VAL  45           HA       VAL  45 -10.475   9.062  15.018
  308    HB   VAL  45           HB       VAL  45 -10.881  11.265  17.059
  309   HG11  VAL  45          HG11      VAL  45 -11.885   9.567  18.564
  310   HG12  VAL  45          HG12      VAL  45 -12.920   9.906  17.180
  311   HG13  VAL  45          HG13      VAL  45 -11.945   8.413  17.216
  312   HG21  VAL  45          HG21      VAL  45  -9.413   8.586  17.189
  313   HG22  VAL  45          HG22      VAL  45  -8.630  10.153  16.938
  314   HG23  VAL  45          HG23      VAL  45  -9.462   9.824  18.463
  315    H    ALA  46           H        ALA  46 -12.190  12.290  14.858
  316    HA   ALA  46           HA       ALA  46 -14.783  11.308  14.313
  317    HB1  ALA  46           HB1      ALA  46 -15.156  13.515  13.321
  318    HB2  ALA  46           HB2      ALA  46 -14.221  13.653  14.817
  319    HB3  ALA  46           HB3      ALA  46 -13.410  13.814  13.245
  320    H    TYR  47           H        TYR  47 -12.206  12.123  11.904
  321    HA   TYR  47           HA       TYR  47 -13.522  11.156   9.590
  322    HB2  TYR  47           HB2      TYR  47 -11.540  12.393   9.317
  323    HB3  TYR  47           HB3      TYR  47 -10.616  11.372  10.392
  324    HD1  TYR  47           HD1      TYR  47 -12.197  11.508   7.016
  325    HD2  TYR  47           HD2      TYR  47  -9.514   9.389   9.653
  326    HE1  TYR  47           HE1      TYR  47 -11.475  10.045   5.126
  327    HE2  TYR  47           HE2      TYR  47  -8.789   7.942   7.772
  328    HH   TYR  47           HH       TYR  47  -9.093   7.412   5.556
  329    H    HIS  48           H        HIS  48 -11.409   9.226  11.813
  330    HA   HIS  48           HA       HIS  48 -11.723   6.784  10.394
  331    HB2  HIS  48           HB2      HIS  48 -10.074   7.395  12.245
  332    HB3  HIS  48           HB3      HIS  48 -11.350   7.043  13.406
  333    HD1  HIS  48           HD1      HIS  48 -12.438   4.236  12.212
  334    HD2  HIS  48           HD2      HIS  48  -8.410   5.468  12.484
  335    HE1  HIS  48           HE1      HIS  48 -11.044   2.132  12.183
  336    H    LEU  49           H        LEU  49 -13.683   7.994  13.167
  337    HA   LEU  49           HA       LEU  49 -15.470   5.748  13.300
  338    HB2  LEU  49           HB2      LEU  49 -15.393   8.592  14.351
  339    HB3  LEU  49           HB3      LEU  49 -16.911   7.723  14.414
  340    HG   LEU  49           HG       LEU  49 -16.081   6.012  15.824
  341   HD11  LEU  49          HD11      LEU  49 -13.797   5.635  14.995
  342   HD12  LEU  49          HD12      LEU  49 -13.286   7.209  15.636
  343   HD13  LEU  49          HD13      LEU  49 -13.789   5.917  16.736
  344   HD21  LEU  49          HD21      LEU  49 -15.066   8.722  16.788
  345   HD22  LEU  49          HD22      LEU  49 -16.739   8.139  16.881
  346   HD23  LEU  49          HD23      LEU  49 -15.470   7.334  17.821
  347    H    ILE  50           H        ILE  50 -15.610   8.741  11.379
  348    HA   ILE  50           HA       ILE  50 -18.288   8.117  10.348
  349    HB   ILE  50           HB       ILE  50 -16.212  10.239   9.759
  350   HG12  ILE  50          HG12      ILE  50 -19.057  10.364  10.889
  351   HG13  ILE  50          HG13      ILE  50 -17.637  10.181  11.910
  352   HG21  ILE  50          HG21      ILE  50 -17.336   9.829   7.608
  353   HG22  ILE  50          HG22      ILE  50 -18.927   9.935   8.398
  354   HG23  ILE  50          HG23      ILE  50 -17.867  11.355   8.297
  355   HD11  ILE  50          HD11      ILE  50 -18.252  12.564  10.157
  356   HD12  ILE  50          HD12      ILE  50 -18.297  12.480  11.930
  357   HD13  ILE  50          HD13      ILE  50 -16.752  12.339  11.098
  358    H    ILE  51           H        ILE  51 -14.984   7.561   9.143
  359    HA   ILE  51           HA       ILE  51 -15.756   6.338   6.612
  360    HB   ILE  51           HB       ILE  51 -13.377   6.113   8.485
  361   HG12  ILE  51          HG12      ILE  51 -13.694   8.152   6.984
  362   HG13  ILE  51          HG13      ILE  51 -12.149   7.323   6.955
  363   HG21  ILE  51          HG21      ILE  51 -13.750   4.475   5.961
  364   HG22  ILE  51          HG22      ILE  51 -12.180   4.766   6.748
  365   HG23  ILE  51          HG23      ILE  51 -13.446   3.891   7.610
  366   HD11  ILE  51          HD11      ILE  51 -12.669   6.292   4.787
  367   HD12  ILE  51          HD12      ILE  51 -14.307   6.993   4.829
  368   HD13  ILE  51          HD13      ILE  51 -12.876   8.038   4.701
  369    H    ASP  52           H        ASP  52 -15.295   4.935   9.931
  370    HA   ASP  52           HA       ASP  52 -16.159   2.297   9.199
  371    HB2  ASP  52           HB2      ASP  52 -16.306   3.761  11.854
  372    HB3  ASP  52           HB3      ASP  52 -16.702   2.061  11.624
  373    H    ASN  53           H        ASN  53 -18.063   5.095  10.476
  374    HA   ASN  53           HA       ASN  53 -20.560   3.775  10.591
  375    HB2  ASN  53           HB2      ASN  53 -20.024   6.069  11.515
  376    HB3  ASN  53           HB3      ASN  53 -20.093   6.713   9.875
  377   HD21  ASN  53          HD22      ASN  53 -21.958   5.176  12.481
  378   HD22  ASN  53          HD21      ASN  53 -23.545   5.647  11.846
  379    H    ARG  54           H        ARG  54 -19.049   5.509   7.867
  380    HA   ARG  54           HA       ARG  54 -21.031   5.062   5.875
  381    HB2  ARG  54           HB2      ARG  54 -19.327   6.791   5.807
  382    HB3  ARG  54           HB3      ARG  54 -18.038   5.593   5.808
  383    HG2  ARG  54           HG2      ARG  54 -18.729   4.832   3.551
  384    HG3  ARG  54           HG3      ARG  54 -20.006   6.072   3.539
  385    HD2  ARG  54           HD2      ARG  54 -18.305   7.845   3.781
  386    HD3  ARG  54           HD3      ARG  54 -17.032   6.635   3.965
  387    HE   ARG  54           HE       ARG  54 -18.710   6.858   1.476
  388   HH11  ARG  54          HH11      ARG  54 -15.422   6.685   2.835
  389   HH12  ARG  54          HH12      ARG  54 -14.701   6.906   1.254
  390   HH21  ARG  54          HH21      ARG  54 -17.644   6.995  -0.510
  391   HH22  ARG  54          HH22      ARG  54 -15.905   7.040  -0.548
  392    H    ARG  55           H        ARG  55 -18.086   3.174   6.657
  393    HA   ARG  55           HA       ARG  55 -18.444   1.348   4.456
  394    HB2  ARG  55           HB2      ARG  55 -16.261   2.086   5.296
  395    HB3  ARG  55           HB3      ARG  55 -16.572   1.329   6.858
  396    HG2  ARG  55           HG2      ARG  55 -15.041   0.006   5.601
  397    HG3  ARG  55           HG3      ARG  55 -16.529  -0.907   5.804
  398    HD2  ARG  55           HD2      ARG  55 -15.867   0.667   3.275
  399    HD3  ARG  55           HD3      ARG  55 -15.346  -1.008   3.527
  400    HE   ARG  55           HE       ARG  55 -18.077  -1.068   4.006
  401   HH11  ARG  55          HH11      ARG  55 -16.063  -0.288   1.203
  402   HH12  ARG  55          HH12      ARG  55 -17.312  -0.729   0.073
  403   HH21  ARG  55          HH21      ARG  55 -19.635  -1.593   2.524
  404   HH22  ARG  55          HH22      ARG  55 -19.312  -1.477   0.819
  405    H    ILE  56           H        ILE  56 -18.884   0.966   8.003
  406    HA   ILE  56           HA       ILE  56 -19.801  -1.832   7.765
  407    HB   ILE  56           HB       ILE  56 -19.854   0.071  10.148
  408   HG12  ILE  56          HG12      ILE  56 -17.535  -0.121   9.463
  409   HG13  ILE  56          HG13      ILE  56 -17.794  -1.043  10.922
  410   HG21  ILE  56          HG21      ILE  56 -21.325  -1.787  10.573
  411   HG22  ILE  56          HG22      ILE  56 -20.122  -2.956   9.997
  412   HG23  ILE  56          HG23      ILE  56 -19.850  -2.046  11.500
  413   HD11  ILE  56          HD11      ILE  56 -17.813  -3.158   9.582
  414   HD12  ILE  56          HD12      ILE  56 -17.532  -2.202   8.106
  415   HD13  ILE  56          HD13      ILE  56 -16.314  -2.231   9.386
  416    H    MET  57           H        MET  57 -21.272   1.328   7.912
  417    HA   MET  57           HA       MET  57 -23.316   2.063   7.259
  418    HB2  MET  57           HB2      MET  57 -23.468  -0.048   5.827
  419    HB3  MET  57           HB3      MET  57 -24.465  -0.743   7.114
  420    HG2  MET  57           HG2      MET  57 -26.048   1.150   6.891
  421    HG3  MET  57           HG3      MET  57 -25.032   1.862   5.631
  422    HE1  MET  57           HE1      MET  57 -28.148   1.355   5.354
  423    HE2  MET  57           HE2      MET  57 -27.141   2.079   4.078
  424    HE3  MET  57           HE3      MET  57 -28.230   0.732   3.694
  425    H    ASN  58           H        ASN  58 -22.609   2.462   9.533
  426    HA   ASN  58           HA       ASN  58 -23.092   3.114  11.595
  427    HB2  ASN  58           HB2      ASN  58 -25.747   1.628  11.509
  428    HB3  ASN  58           HB3      ASN  58 -25.186   2.674  12.795
  429   HD21  ASN  58          HD22      ASN  58 -26.611   2.620   9.609
  430   HD22  ASN  58          HD21      ASN  58 -26.792   4.363   9.462
  431    H    GLN  59           H        GLN  59 -22.279   2.495  13.465
  432    HA   GLN  59           HA       GLN  59 -21.291  -0.222  13.790
  433    HB2  GLN  59           HB2      GLN  59 -21.128   2.251  15.590
  434    HB3  GLN  59           HB3      GLN  59 -20.276   0.737  15.841
  435    HG2  GLN  59           HG2      GLN  59 -18.614   1.899  14.858
  436    HG3  GLN  59           HG3      GLN  59 -19.286   1.159  13.419
  437   HE21  GLN  59          HE22      GLN  59 -17.662   3.651  13.778
  438   HE22  GLN  59          HE21      GLN  59 -18.602   4.902  12.996
  439    H    ALA  60           H        ALA  60 -21.543  -1.498  15.748
  440    HA   ALA  60           HA       ALA  60 -24.313  -1.739  16.630
  441    HB1  ALA  60           HB1      ALA  60 -22.896  -3.707  16.156
  442    HB2  ALA  60           HB2      ALA  60 -21.779  -3.224  17.457
  443    HB3  ALA  60           HB3      ALA  60 -23.439  -3.706  17.843
  444    H    SER  61           H        SER  61 -24.954  -1.860  18.888
  445    HA   SER  61           HA       SER  61 -24.235   0.505  20.346
  446    HB2  SER  61           HB2      SER  61 -25.899  -1.875  21.248
  447    HB3  SER  61           HB3      SER  61 -25.927  -0.242  21.931
  448    HG   SER  61           HG       SER  61 -27.654  -0.601  20.456
  449    H    GLU  62           H        GLU  62 -22.786  -2.593  20.447
  450    HA   GLU  62           HA       GLU  62 -21.029  -2.008  22.672
  451    HB2  GLU  62           HB2      GLU  62 -21.673  -3.838  24.131
  452    HB3  GLU  62           HB3      GLU  62 -22.972  -2.666  23.987
  453    HG2  GLU  62           HG2      GLU  62 -24.129  -4.184  22.358
  454    HG3  GLU  62           HG3      GLU  62 -22.837  -5.367  22.574
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -1.532  -3.967  -9.547
    2    H2   GLY   1           H2       GLY   1  -1.685  -2.506 -10.276
    3    H3   GLY   1           H3       GLY   1  -0.663  -2.692  -9.010
    4    HA2  GLY   1           HA2      GLY   1  -3.605  -2.944  -8.882
    5    HA3  GLY   1           HA3      GLY   1  -2.504  -3.152  -7.511
    6    HA   PRO   2           HA       PRO   2  -4.065   1.254  -7.522
    7    HB2  PRO   2           HB2      PRO   2  -4.095   0.644  -4.580
    8    HB3  PRO   2           HB3      PRO   2  -5.293   1.541  -5.563
    9    HG2  PRO   2           HG2      PRO   2  -5.789  -1.005  -4.771
   10    HG3  PRO   2           HG3      PRO   2  -6.205  -0.486  -6.436
   11    HD2  PRO   2           HD2      PRO   2  -3.755  -2.004  -5.498
   12    HD3  PRO   2           HD3      PRO   2  -4.829  -2.341  -6.892
   13    H    HIS   3           H        HIS   3  -3.134   3.180  -6.492
   14    HA   HIS   3           HA       HIS   3  -0.620   3.013  -5.024
   15    HB2  HIS   3           HB2      HIS   3   0.037   2.587  -7.425
   16    HB3  HIS   3           HB3      HIS   3  -0.658   4.149  -7.860
   17    HD1  HIS   3           HD1      HIS   3   2.266   2.710  -5.746
   18    HD2  HIS   3           HD2      HIS   3   0.902   6.262  -7.542
   19    HE1  HIS   3           HE1      HIS   3   4.154   4.396  -5.511
   20    H    MET   4           H        MET   4   0.136   5.130  -4.364
   21    HA   MET   4           HA       MET   4   0.052   7.221  -3.577
   22    HB2  MET   4           HB2      MET   4  -0.470   7.764  -5.988
   23    HB3  MET   4           HB3      MET   4  -2.182   7.858  -5.545
   24    HG2  MET   4           HG2      MET   4  -1.625   9.599  -3.852
   25    HG3  MET   4           HG3      MET   4   0.063   9.534  -4.342
   26    HE1  MET   4           HE1      MET   4   1.035  10.500  -6.510
   27    HE2  MET   4           HE2      MET   4   0.034   9.429  -7.515
   28    HE3  MET   4           HE3      MET   4   0.084  11.170  -7.848
   29    H    SER   5           H        SER   5  -3.267   5.989  -3.995
   30    HA   SER   5           HA       SER   5  -4.642   7.533  -2.149
   31    HB2  SER   5           HB2      SER   5  -5.092   4.590  -2.761
   32    HB3  SER   5           HB3      SER   5  -6.287   5.724  -2.101
   33    HG   SER   5           HG       SER   5  -6.501   5.477  -4.375
   34    H    TYR   6           H        TYR   6  -2.337   5.072  -1.284
   35    HA   TYR   6           HA       TYR   6  -3.323   4.601   1.425
   36    HB2  TYR   6           HB2      TYR   6  -0.615   4.033   0.167
   37    HB3  TYR   6           HB3      TYR   6  -1.235   3.355   1.661
   38    HD1  TYR   6           HD2      TYR   6  -3.419   1.940   1.533
   39    HD2  TYR   6           HD1      TYR   6  -0.963   2.877  -1.885
   40    HE1  TYR   6           HE2      TYR   6  -4.408   0.019   0.305
   41    HE2  TYR   6           HE1      TYR   6  -1.949   0.957  -3.123
   42    HH   TYR   6           HH       TYR   6  -4.426  -1.182  -1.646
   43    H    ASP   7           H        ASP   7  -1.514   7.189  -0.009
   44    HA   ASP   7           HA       ASP   7   0.087   7.743   2.413
   45    HB2  ASP   7           HB2      ASP   7   1.061   7.796   0.100
   46    HB3  ASP   7           HB3      ASP   7   0.055   9.202  -0.248
   47    H    ALA   8           H        ALA   8  -0.173   9.419   3.778
   48    HA   ALA   8           HA       ALA   8  -2.669  10.574   4.236
   49    HB1  ALA   8           HB1      ALA   8  -0.894  10.243   5.921
   50    HB2  ALA   8           HB2      ALA   8   0.103  11.497   5.143
   51    HB3  ALA   8           HB3      ALA   8  -1.441  11.923   5.909
   52    H    ASN   9           H        ASN   9  -0.255  11.780   1.990
   53    HA   ASN   9           HA       ASN   9  -1.090  14.511   1.863
   54    HB2  ASN   9           HB2      ASN   9   1.024  13.575   0.928
   55    HB3  ASN   9           HB3      ASN   9   0.089  12.709  -0.299
   56   HD21  ASN   9          HD22      ASN   9   0.843  16.031   0.924
   57   HD22  ASN   9          HD21      ASN   9   0.607  16.799  -0.636
   58    H    VAL  10           H        VAL  10  -2.745  11.625   0.806
   59    HA   VAL  10           HA       VAL  10  -4.833  13.327  -0.485
   60    HB   VAL  10           HB       VAL  10  -5.432  11.476  -1.990
   61   HG11  VAL  10          HG11      VAL  10  -2.599  12.513  -2.419
   62   HG12  VAL  10          HG12      VAL  10  -3.711  11.911  -3.663
   63   HG13  VAL  10          HG13      VAL  10  -4.099  13.397  -2.782
   64   HG21  VAL  10          HG21      VAL  10  -4.331   9.574  -0.826
   65   HG22  VAL  10          HG22      VAL  10  -3.851   9.697  -2.526
   66   HG23  VAL  10          HG23      VAL  10  -2.740  10.246  -1.257
   67    H    ILE  11           H        ILE  11  -6.970  12.659  -0.222
   68    HA   ILE  11           HA       ILE  11  -7.613  10.662   1.866
   69    HB   ILE  11           HB       ILE  11  -6.906  13.176   2.606
   70   HG12  ILE  11          HG12      ILE  11  -8.383  12.963   4.627
   71   HG13  ILE  11          HG13      ILE  11  -9.095  11.526   3.898
   72   HG21  ILE  11          HG21      ILE  11  -8.726  14.657   2.939
   73   HG22  ILE  11          HG22      ILE  11  -8.676  14.241   1.219
   74   HG23  ILE  11          HG23      ILE  11  -9.900  13.506   2.286
   75   HD11  ILE  11          HD11      ILE  11  -6.849  10.426   3.897
   76   HD12  ILE  11          HD12      ILE  11  -6.125  11.916   4.543
   77   HD13  ILE  11          HD13      ILE  11  -7.272  10.986   5.519
   78    H    ASP  12           H        ASP  12 -10.071  10.582   2.251
   79    HA   ASP  12           HA       ASP  12 -11.434  10.689  -0.368
   80    HB2  ASP  12           HB2      ASP  12 -11.624   8.755   1.370
   81    HB3  ASP  12           HB3      ASP  12 -12.778   9.826   2.179
   82    H    ASP  13           H        ASP  13 -12.250  12.540  -0.981
   83    HA   ASP  13           HA       ASP  13 -12.893  14.794   0.589
   84    HB2  ASP  13           HB2      ASP  13 -12.495  14.785  -1.863
   85    HB3  ASP  13           HB3      ASP  13 -14.012  13.907  -2.104
   86    H    GLU  14           H        GLU  14 -14.852  11.900  -0.124
   87    HA   GLU  14           HA       GLU  14 -17.349  13.091   0.789
   88    HB2  GLU  14           HB2      GLU  14 -17.217  11.247  -0.881
   89    HB3  GLU  14           HB3      GLU  14 -16.675  10.168   0.416
   90    HG2  GLU  14           HG2      GLU  14 -18.788  10.479   1.616
   91    HG3  GLU  14           HG3      GLU  14 -19.311  11.697   0.439
   92    H    ALA  15           H        ALA  15 -14.843  11.005   2.285
   93    HA   ALA  15           HA       ALA  15 -16.168  10.745   4.833
   94    HB1  ALA  15           HB1      ALA  15 -14.230   9.344   4.131
   95    HB2  ALA  15           HB2      ALA  15 -13.166  10.775   4.201
   96    HB3  ALA  15           HB3      ALA  15 -13.936  10.164   5.677
   97    H    VAL  16           H        VAL  16 -13.698  13.108   3.671
   98    HA   VAL  16           HA       VAL  16 -13.737  14.617   6.114
   99    HB   VAL  16           HB       VAL  16 -12.865  15.460   3.320
  100   HG11  VAL  16          HG11      VAL  16 -13.332  17.503   4.562
  101   HG12  VAL  16          HG12      VAL  16 -12.494  16.873   5.997
  102   HG13  VAL  16          HG13      VAL  16 -11.582  17.267   4.528
  103   HG21  VAL  16          HG21      VAL  16 -10.587  15.124   4.317
  104   HG22  VAL  16          HG22      VAL  16 -11.343  14.496   5.789
  105   HG23  VAL  16          HG23      VAL  16 -11.522  13.628   4.257
  106    H    LYS  17           H        LYS  17 -15.713  15.040   3.117
  107    HA   LYS  17           HA       LYS  17 -17.202  17.324   3.909
  108    HB2  LYS  17           HB2      LYS  17 -17.318  16.520   1.672
  109    HB3  LYS  17           HB3      LYS  17 -17.774  14.901   2.182
  110    HG2  LYS  17           HG2      LYS  17 -19.602  16.053   1.109
  111    HG3  LYS  17           HG3      LYS  17 -19.998  15.582   2.756
  112    HD2  LYS  17           HD2      LYS  17 -19.780  17.891   3.533
  113    HD3  LYS  17           HD3      LYS  17 -19.158  18.409   1.949
  114    HE2  LYS  17           HE2      LYS  17 -21.243  17.973   0.860
  115    HE3  LYS  17           HE3      LYS  17 -21.848  17.017   2.221
  116    HZ1  LYS  17           HZ1      LYS  17 -22.075  18.955   3.537
  117    HZ2  LYS  17           HZ2      LYS  17 -21.332  19.932   2.422
  118    HZ3  LYS  17           HZ3      LYS  17 -22.799  19.278   2.110
  119    H    GLU  18           H        GLU  18 -17.977  13.825   4.530
  120    HA   GLU  18           HA       GLU  18 -20.224  14.379   6.205
  121    HB2  GLU  18           HB2      GLU  18 -18.325  12.005   6.127
  122    HB3  GLU  18           HB3      GLU  18 -19.739  12.083   7.174
  123    HG2  GLU  18           HG2      GLU  18 -19.850  12.306   4.135
  124    HG3  GLU  18           HG3      GLU  18 -20.135  10.834   5.053
  125    H    VAL  19           H        VAL  19 -16.790  13.774   7.211
  126    HA   VAL  19           HA       VAL  19 -17.161  14.105   9.981
  127    HB   VAL  19           HB       VAL  19 -14.752  14.955   8.347
  128   HG11  VAL  19          HG11      VAL  19 -14.996  14.370  11.337
  129   HG12  VAL  19          HG12      VAL  19 -13.462  14.594  10.472
  130   HG13  VAL  19          HG13      VAL  19 -14.601  15.936  10.622
  131   HG21  VAL  19          HG21      VAL  19 -14.985  12.402   9.965
  132   HG22  VAL  19          HG22      VAL  19 -15.541  12.434   8.306
  133   HG23  VAL  19          HG23      VAL  19 -13.850  12.819   8.653
  134    H    CYS  20           H        CYS  20 -16.588  16.702   7.570
  135    HA   CYS  20           HA       CYS  20 -16.271  18.883   9.305
  136    HB2  CYS  20           HB2      CYS  20 -15.840  18.954   6.903
  137    HB3  CYS  20           HB3      CYS  20 -17.561  18.709   6.528
  138    HG   CYS  20           HG       CYS  20 -16.587  21.308   6.209
  139    H    GLU  21           H        GLU  21 -19.419  17.673   7.994
  140    HA   GLU  21           HA       GLU  21 -20.827  19.617   9.733
  141    HB2  GLU  21           HB2      GLU  21 -22.809  19.062   8.514
  142    HB3  GLU  21           HB3      GLU  21 -21.485  19.492   7.438
  143    HG2  GLU  21           HG2      GLU  21 -21.126  17.060   6.946
  144    HG3  GLU  21           HG3      GLU  21 -22.506  16.671   7.981
  145    H    LYS  22           H        LYS  22 -20.352  16.072   9.647
  146    HA   LYS  22           HA       LYS  22 -22.379  15.461  11.610
  147    HB2  LYS  22           HB2      LYS  22 -21.404  13.865   9.962
  148    HB3  LYS  22           HB3      LYS  22 -19.838  14.030  10.736
  149    HG2  LYS  22           HG2      LYS  22 -20.847  11.932  11.348
  150    HG3  LYS  22           HG3      LYS  22 -20.640  12.939  12.768
  151    HD2  LYS  22           HD2      LYS  22 -22.750  11.678  12.775
  152    HD3  LYS  22           HD3      LYS  22 -23.041  13.425  12.835
  153    HE2  LYS  22           HE2      LYS  22 -23.580  13.442  10.422
  154    HE3  LYS  22           HE3      LYS  22 -23.161  11.727  10.292
  155    HZ1  LYS  22           HZ1      LYS  22 -25.568  12.078  10.494
  156    HZ2  LYS  22           HZ2      LYS  22 -25.007  11.191  11.753
  157    HZ3  LYS  22           HZ3      LYS  22 -25.387  12.780  11.959
  158    H    PHE  23           H        PHE  23 -18.853  16.064  11.870
  159    HA   PHE  23           HA       PHE  23 -18.962  15.903  14.816
  160    HB2  PHE  23           HB2      PHE  23 -17.184  14.895  13.177
  161    HB3  PHE  23           HB3      PHE  23 -16.512  16.522  13.158
  162    HD1  PHE  23           HD1      PHE  23 -17.581  13.737  15.422
  163    HD2  PHE  23           HD2      PHE  23 -15.066  17.210  14.953
  164    HE1  PHE  23           HE1      PHE  23 -16.422  13.178  17.538
  165    HE2  PHE  23           HE2      PHE  23 -13.901  16.642  17.071
  166    HZ   PHE  23           HZ       PHE  23 -14.576  14.628  18.371
  167    H    GLU  24           H        GLU  24 -19.149  18.390  12.451
  168    HA   GLU  24           HA       GLU  24 -19.485  20.596  12.563
  169    HB2  GLU  24           HB2      GLU  24 -19.514  20.361  15.597
  170    HB3  GLU  24           HB3      GLU  24 -19.988  21.759  14.644
  171    HG2  GLU  24           HG2      GLU  24 -21.757  20.403  13.531
  172    HG3  GLU  24           HG3      GLU  24 -21.322  19.019  14.542
  173    H    CYS  25           H        CYS  25 -17.407  20.535  11.558
  174    HA   CYS  25           HA       CYS  25 -15.475  22.339  12.865
  175    HB2  CYS  25           HB2      CYS  25 -14.878  19.923  13.427
  176    HB3  CYS  25           HB3      CYS  25 -14.513  19.676  11.710
  177    HG   CYS  25           HG       CYS  25 -12.307  20.104  13.238
  178    H    THR  26           H        THR  26 -13.516  21.706  10.651
  179    HA   THR  26           HA       THR  26 -14.959  22.522   8.177
  180    HB   THR  26           HB       THR  26 -13.141  24.047   7.564
  181    HG1  THR  26           HG1      THR  26 -11.678  24.664   9.178
  182   HG21  THR  26          HG21      THR  26 -13.719  25.928   8.980
  183   HG22  THR  26          HG22      THR  26 -15.176  24.962   8.686
  184   HG23  THR  26          HG23      THR  26 -14.341  24.850  10.249
  185    H    GLU  27           H        GLU  27 -14.061  21.800   6.272
  186    HA   GLU  27           HA       GLU  27 -12.802  19.302   6.235
  187    HB2  GLU  27           HB2      GLU  27 -12.667  21.437   4.046
  188    HB3  GLU  27           HB3      GLU  27 -12.372  19.715   3.852
  189    HG2  GLU  27           HG2      GLU  27 -14.505  19.707   3.130
  190    HG3  GLU  27           HG3      GLU  27 -14.878  19.540   4.841
  191    H    SER  28           H        SER  28 -11.254  22.550   5.962
  192    HA   SER  28           HA       SER  28  -8.615  21.623   5.407
  193    HB2  SER  28           HB2      SER  28  -7.972  23.916   6.205
  194    HB3  SER  28           HB3      SER  28  -9.213  23.884   4.944
  195    HG   SER  28           HG       SER  28  -9.731  25.340   6.651
  196    H    GLU  29           H        GLU  29 -10.206  22.343   8.581
  197    HA   GLU  29           HA       GLU  29  -7.820  21.743  10.110
  198    HB2  GLU  29           HB2      GLU  29 -10.753  21.887  10.857
  199    HB3  GLU  29           HB3      GLU  29  -9.477  21.554  12.027
  200    HG2  GLU  29           HG2      GLU  29  -9.566  24.069  10.306
  201    HG3  GLU  29           HG3      GLU  29 -10.198  23.953  11.947
  202    H    VAL  30           H        VAL  30 -10.643  19.796   9.082
  203    HA   VAL  30           HA       VAL  30  -9.900  17.376  10.450
  204    HB   VAL  30           HB       VAL  30 -11.498  17.833   7.914
  205   HG11  VAL  30          HG11      VAL  30 -12.363  15.518   8.207
  206   HG12  VAL  30          HG12      VAL  30 -10.647  15.529   7.807
  207   HG13  VAL  30          HG13      VAL  30 -11.156  15.232   9.481
  208   HG21  VAL  30          HG21      VAL  30 -13.435  17.466   9.315
  209   HG22  VAL  30          HG22      VAL  30 -12.411  17.040  10.713
  210   HG23  VAL  30          HG23      VAL  30 -12.450  18.692  10.113
  211    H    MET  31           H        MET  31  -9.073  18.515   7.110
  212    HA   MET  31           HA       MET  31  -7.345  16.312   6.468
  213    HB2  MET  31           HB2      MET  31  -7.416  19.199   5.495
  214    HB3  MET  31           HB3      MET  31  -6.326  17.968   4.845
  215    HG2  MET  31           HG2      MET  31  -8.254  16.559   4.211
  216    HG3  MET  31           HG3      MET  31  -9.361  17.786   4.830
  217    HE1  MET  31           HE1      MET  31  -9.780  16.645   2.023
  218    HE2  MET  31           HE2      MET  31 -10.735  18.047   2.561
  219    HE3  MET  31           HE3      MET  31  -9.940  18.072   0.980
  220    H    ASN  32           H        ASN  32  -6.613  19.442   8.125
  221    HA   ASN  32           HA       ASN  32  -3.808  19.077   8.239
  222    HB2  ASN  32           HB2      ASN  32  -5.778  20.681   9.834
  223    HB3  ASN  32           HB3      ASN  32  -4.194  20.400  10.548
  224   HD21  ASN  32          HD22      ASN  32  -5.786  21.709   7.614
  225   HD22  ASN  32          HD21      ASN  32  -4.434  22.757   7.177
  226    H    SER  33           H        SER  33  -6.188  18.000  10.843
  227    HA   SER  33           HA       SER  33  -4.126  16.726  12.344
  228    HB2  SER  33           HB2      SER  33  -7.033  15.882  12.223
  229    HB3  SER  33           HB3      SER  33  -5.824  15.431  13.449
  230    HG   SER  33           HG       SER  33  -6.995  17.146  14.253
  231    H    LEU  34           H        LEU  34  -5.526  15.613   9.354
  232    HA   LEU  34           HA       LEU  34  -4.696  12.801   9.781
  233    HB2  LEU  34           HB2      LEU  34  -6.049  14.297   7.498
  234    HB3  LEU  34           HB3      LEU  34  -5.648  12.587   7.420
  235    HG   LEU  34           HG       LEU  34  -7.438  13.747   9.599
  236   HD11  LEU  34          HD11      LEU  34  -9.361  13.062   8.337
  237   HD12  LEU  34          HD12      LEU  34  -8.407  14.135   7.309
  238   HD13  LEU  34          HD13      LEU  34  -8.358  12.382   7.045
  239   HD21  LEU  34          HD21      LEU  34  -8.179  11.416   9.857
  240   HD22  LEU  34          HD22      LEU  34  -7.032  10.896   8.602
  241   HD23  LEU  34          HD23      LEU  34  -6.447  11.553  10.144
  242    H    TYR  35           H        TYR  35  -3.446  15.716   8.297
  243    HA   TYR  35           HA       TYR  35  -1.314  14.159   6.886
  244    HB2  TYR  35           HB2      TYR  35  -2.792  15.567   5.527
  245    HB3  TYR  35           HB3      TYR  35  -2.387  16.972   6.505
  246    HD1  TYR  35           HD2      TYR  35  -0.467  14.247   4.715
  247    HD2  TYR  35           HD1      TYR  35  -0.939  18.472   5.437
  248    HE1  TYR  35           HE2      TYR  35   1.425  14.713   3.180
  249    HE2  TYR  35           HE1      TYR  35   0.939  18.952   3.888
  250    HH   TYR  35           HH       TYR  35   2.528  18.055   2.478
  251    H    SER  36           H        SER  36  -1.678  17.050   8.993
  252    HA   SER  36           HA       SER  36   1.293  17.120   9.421
  253    HB2  SER  36           HB2      SER  36   0.950  19.565   9.675
  254    HB3  SER  36           HB3      SER  36   0.486  18.972   8.073
  255    HG   SER  36           HG       SER  36  -1.072  20.434   9.037
  256    H    GLY  37           H        GLY  37  -1.776  16.907  11.104
  257    HA2  GLY  37           HA2      GLY  37  -0.565  17.492  13.754
  258    HA3  GLY  37           HA3      GLY  37  -2.236  17.010  13.420
  259    H    ASP  38           H        ASP  38  -2.642  15.089  14.352
  260    HA   ASP  38           HA       ASP  38  -0.862  12.808  13.856
  261    HB2  ASP  38           HB2      ASP  38  -0.076  13.834  15.964
  262    HB3  ASP  38           HB3      ASP  38  -1.687  13.645  16.655
  263    HA   PRO  39           HA       PRO  39  -4.815  10.872  13.145
  264    HB2  PRO  39           HB2      PRO  39  -3.397   8.404  14.171
  265    HB3  PRO  39           HB3      PRO  39  -4.473   8.572  12.744
  266    HG2  PRO  39           HG2      PRO  39  -1.797   8.571  12.405
  267    HG3  PRO  39           HG3      PRO  39  -2.790   9.785  11.539
  268    HD2  PRO  39           HD2      PRO  39  -1.178  10.135  14.080
  269    HD3  PRO  39           HD3      PRO  39  -1.309  11.203  12.649
  270    H    GLN  40           H        GLN  40  -3.496  10.974  16.336
  271    HA   GLN  40           HA       GLN  40  -5.781   9.581  17.634
  272    HB2  GLN  40           HB2      GLN  40  -3.283  10.917  18.739
  273    HB3  GLN  40           HB3      GLN  40  -4.473  10.064  19.714
  274    HG2  GLN  40           HG2      GLN  40  -3.970   7.940  18.716
  275    HG3  GLN  40           HG3      GLN  40  -2.996   8.666  17.441
  276   HE21  GLN  40          HE22      GLN  40  -1.039   9.947  18.164
  277   HE22  GLN  40          HE21      GLN  40  -0.119   9.269  19.522
  278    H    ASP  41           H        ASP  41  -5.183  12.711  16.468
  279    HA   ASP  41           HA       ASP  41  -6.494  14.320  18.475
  280    HB2  ASP  41           HB2      ASP  41  -5.033  15.289  16.767
  281    HB3  ASP  41           HB3      ASP  41  -6.084  14.664  15.488
  282    H    GLN  42           H        GLN  42  -8.612  15.119  18.510
  283    HA   GLN  42           HA       GLN  42 -10.698  13.280  18.125
  284    HB2  GLN  42           HB2      GLN  42 -10.733  16.324  18.377
  285    HB3  GLN  42           HB3      GLN  42 -12.189  15.330  18.430
  286    HG2  GLN  42           HG2      GLN  42  -9.864  15.053  20.393
  287    HG3  GLN  42           HG3      GLN  42 -11.332  15.980  20.681
  288   HE21  GLN  42          HE22      GLN  42 -13.374  14.824  21.040
  289   HE22  GLN  42          HE21      GLN  42 -13.352  13.099  21.372
  290    H    LEU  43           H        LEU  43  -9.592  15.749  15.730
  291    HA   LEU  43           HA       LEU  43 -11.914  15.284  14.014
  292    HB2  LEU  43           HB2      LEU  43  -9.215  16.512  13.324
  293    HB3  LEU  43           HB3      LEU  43 -10.705  16.653  12.402
  294    HG   LEU  43           HG       LEU  43 -10.191  17.839  15.165
  295   HD11  LEU  43          HD11      LEU  43  -9.020  18.967  13.301
  296   HD12  LEU  43          HD12      LEU  43 -10.565  19.152  12.443
  297   HD13  LEU  43          HD13      LEU  43 -10.290  19.989  13.991
  298   HD21  LEU  43          HD21      LEU  43 -12.678  18.003  13.402
  299   HD22  LEU  43          HD22      LEU  43 -12.555  17.219  14.992
  300   HD23  LEU  43          HD23      LEU  43 -12.383  18.966  14.874
  301    H    ALA  44           H        ALA  44  -8.685  13.852  14.264
  302    HA   ALA  44           HA       ALA  44  -8.988  12.252  11.821
  303    HB1  ALA  44           HB1      ALA  44  -6.915  11.182  12.623
  304    HB2  ALA  44           HB2      ALA  44  -6.765  12.952  12.567
  305    HB3  ALA  44           HB3      ALA  44  -6.998  12.124  14.129
  306    H    VAL  45           H        VAL  45  -9.401  11.731  15.324
  307    HA   VAL  45           HA       VAL  45 -10.298   9.011  15.197
  308    HB   VAL  45           HB       VAL  45 -10.896  11.248  17.156
  309   HG11  VAL  45          HG11      VAL  45 -11.726   9.481  18.722
  310   HG12  VAL  45          HG12      VAL  45 -12.793   9.710  17.336
  311   HG13  VAL  45          HG13      VAL  45 -11.696   8.308  17.388
  312   HG21  VAL  45          HG21      VAL  45  -9.339  10.013  18.608
  313   HG22  VAL  45          HG22      VAL  45  -9.168   8.739  17.384
  314   HG23  VAL  45          HG23      VAL  45  -8.546  10.366  17.067
  315    H    ALA  46           H        ALA  46 -12.212  12.105  14.986
  316    HA   ALA  46           HA       ALA  46 -14.733  10.970  14.434
  317    HB1  ALA  46           HB1      ALA  46 -14.278  13.364  14.895
  318    HB2  ALA  46           HB2      ALA  46 -13.523  13.531  13.300
  319    HB3  ALA  46           HB3      ALA  46 -15.247  13.135  13.432
  320    H    TYR  47           H        TYR  47 -12.190  11.897  12.024
  321    HA   TYR  47           HA       TYR  47 -13.429  10.863   9.707
  322    HB2  TYR  47           HB2      TYR  47 -11.507  12.255   9.573
  323    HB3  TYR  47           HB3      TYR  47 -10.550  11.180  10.558
  324    HD1  TYR  47           HD2      TYR  47 -11.880  11.775   7.171
  325    HD2  TYR  47           HD1      TYR  47  -9.524   9.161   9.669
  326    HE1  TYR  47           HE2      TYR  47 -10.912  10.718   5.149
  327    HE2  TYR  47           HE1      TYR  47  -8.553   8.097   7.644
  328    HH   TYR  47           HH       TYR  47  -9.519   9.042   4.335
  329    H    HIS  48           H        HIS  48 -11.294   9.007  11.958
  330    HA   HIS  48           HA       HIS  48 -11.538   6.536  10.553
  331    HB2  HIS  48           HB2      HIS  48  -9.858   7.048  12.287
  332    HB3  HIS  48           HB3      HIS  48 -11.110   7.075  13.527
  333    HD1  HIS  48           HD1      HIS  48 -11.229   4.793  14.802
  334    HD2  HIS  48           HD2      HIS  48  -9.857   4.492  10.831
  335    HE1  HIS  48           HE1      HIS  48 -10.689   2.339  14.419
  336    H    LEU  49           H        LEU  49 -13.518   7.710  13.330
  337    HA   LEU  49           HA       LEU  49 -15.278   5.436  13.447
  338    HB2  LEU  49           HB2      LEU  49 -15.242   8.278  14.522
  339    HB3  LEU  49           HB3      LEU  49 -16.726   7.358  14.622
  340    HG   LEU  49           HG       LEU  49 -15.813   5.693  16.020
  341   HD11  LEU  49          HD11      LEU  49 -13.539   5.379  15.120
  342   HD12  LEU  49          HD12      LEU  49 -13.048   6.954  15.788
  343   HD13  LEU  49          HD13      LEU  49 -13.512   5.635  16.867
  344   HD21  LEU  49          HD21      LEU  49 -16.490   7.819  17.073
  345   HD22  LEU  49          HD22      LEU  49 -15.197   7.032  17.991
  346   HD23  LEU  49          HD23      LEU  49 -14.828   8.425  16.952
  347    H    ILE  50           H        ILE  50 -15.589   8.554  11.733
  348    HA   ILE  50           HA       ILE  50 -18.274   7.974  10.771
  349    HB   ILE  50           HB       ILE  50 -16.225  10.105  10.081
  350   HG12  ILE  50          HG12      ILE  50 -18.938  10.190  11.507
  351   HG13  ILE  50          HG13      ILE  50 -17.413  10.031  12.360
  352   HG21  ILE  50          HG21      ILE  50 -17.985  11.278   8.810
  353   HG22  ILE  50          HG22      ILE  50 -17.575   9.753   8.048
  354   HG23  ILE  50          HG23      ILE  50 -19.071   9.886   9.003
  355   HD11  ILE  50          HD11      ILE  50 -16.674  12.224  11.485
  356   HD12  ILE  50          HD12      ILE  50 -18.269  12.409  10.713
  357   HD13  ILE  50          HD13      ILE  50 -18.138  12.310  12.476
  358    H    ILE  51           H        ILE  51 -15.046   7.321   9.395
  359    HA   ILE  51           HA       ILE  51 -16.143   6.275   6.893
  360    HB   ILE  51           HB       ILE  51 -13.468   5.989   8.294
  361   HG12  ILE  51          HG12      ILE  51 -14.393   7.161   5.619
  362   HG13  ILE  51          HG13      ILE  51 -14.080   8.092   7.083
  363   HG21  ILE  51          HG21      ILE  51 -13.870   3.784   7.244
  364   HG22  ILE  51          HG22      ILE  51 -14.294   4.578   5.710
  365   HG23  ILE  51          HG23      ILE  51 -12.641   4.667   6.365
  366   HD11  ILE  51          HD11      ILE  51 -12.016   6.568   5.440
  367   HD12  ILE  51          HD12      ILE  51 -12.214   8.308   5.577
  368   HD13  ILE  51          HD13      ILE  51 -11.689   7.374   6.994
  369    H    ASP  52           H        ASP  52 -15.422   4.737  10.068
  370    HA   ASP  52           HA       ASP  52 -16.203   2.109   9.312
  371    HB2  ASP  52           HB2      ASP  52 -15.047   2.874  11.450
  372    HB3  ASP  52           HB3      ASP  52 -16.632   3.388  12.031
  373    H    ASN  53           H        ASN  53 -18.198   4.822  10.558
  374    HA   ASN  53           HA       ASN  53 -20.731   3.462  10.410
  375    HB2  ASN  53           HB2      ASN  53 -19.923   6.387  10.431
  376    HB3  ASN  53           HB3      ASN  53 -21.588   5.913  10.119
  377   HD21  ASN  53          HD22      ASN  53 -18.954   5.425  12.567
  378   HD22  ASN  53          HD21      ASN  53 -20.082   5.255  13.905
  379    H    ARG  54           H        ARG  54 -19.204   5.702   8.014
  380    HA   ARG  54           HA       ARG  54 -21.050   5.480   5.934
  381    HB2  ARG  54           HB2      ARG  54 -19.225   7.085   6.055
  382    HB3  ARG  54           HB3      ARG  54 -18.034   5.789   5.912
  383    HG2  ARG  54           HG2      ARG  54 -18.711   5.365   3.595
  384    HG3  ARG  54           HG3      ARG  54 -19.956   6.636   3.713
  385    HD2  ARG  54           HD2      ARG  54 -18.262   8.347   4.058
  386    HD3  ARG  54           HD3      ARG  54 -16.995   7.132   4.271
  387    HE   ARG  54           HE       ARG  54 -18.454   7.654   1.683
  388   HH11  ARG  54          HH11      ARG  54 -15.298   6.850   3.213
  389   HH12  ARG  54          HH12      ARG  54 -14.510   7.069   1.658
  390   HH21  ARG  54          HH21      ARG  54 -17.341   7.795  -0.103
  391   HH22  ARG  54          HH22      ARG  54 -15.579   7.595  -0.115
  392    H    ARG  55           H        ARG  55 -18.348   3.257   6.620
  393    HA   ARG  55           HA       ARG  55 -18.849   1.581   4.306
  394    HB2  ARG  55           HB2      ARG  55 -16.604   2.037   5.217
  395    HB3  ARG  55           HB3      ARG  55 -17.041   1.270   6.740
  396    HG2  ARG  55           HG2      ARG  55 -15.665  -0.205   5.425
  397    HG3  ARG  55           HG3      ARG  55 -17.275  -0.908   5.606
  398    HD2  ARG  55           HD2      ARG  55 -17.856  -0.188   3.311
  399    HD3  ARG  55           HD3      ARG  55 -16.262   0.587   3.142
  400    HE   ARG  55           HE       ARG  55 -15.830  -2.109   3.863
  401   HH11  ARG  55          HH11      ARG  55 -17.114  -0.367   1.060
  402   HH12  ARG  55          HH12      ARG  55 -16.657  -1.629  -0.046
  403   HH21  ARG  55          HH21      ARG  55 -15.271  -3.696   2.385
  404   HH22  ARG  55          HH22      ARG  55 -15.637  -3.495   0.698
  405    H    ILE  56           H        ILE  56 -19.233   0.989   7.861
  406    HA   ILE  56           HA       ILE  56 -20.508  -1.649   7.244
  407    HB   ILE  56           HB       ILE  56 -19.366  -0.554   9.848
  408   HG12  ILE  56          HG12      ILE  56 -18.200  -2.444   7.749
  409   HG13  ILE  56          HG13      ILE  56 -17.606  -0.839   8.174
  410   HG21  ILE  56          HG21      ILE  56 -21.115  -2.261  10.248
  411   HG22  ILE  56          HG22      ILE  56 -20.286  -3.373   9.138
  412   HG23  ILE  56          HG23      ILE  56 -19.534  -2.870  10.672
  413   HD11  ILE  56          HD11      ILE  56 -17.444  -3.345   9.866
  414   HD12  ILE  56          HD12      ILE  56 -16.127  -2.387   9.177
  415   HD13  ILE  56          HD13      ILE  56 -17.105  -1.712  10.497
  416    H    MET  57           H        MET  57 -21.247   1.316   9.062
  417    HA   MET  57           HA       MET  57 -24.062   0.366   9.417
  418    HB2  MET  57           HB2      MET  57 -24.030   1.046  11.775
  419    HB3  MET  57           HB3      MET  57 -22.979  -0.311  11.397
  420    HG2  MET  57           HG2      MET  57 -21.011   1.293  11.390
  421    HG3  MET  57           HG3      MET  57 -22.121   2.549  11.933
  422    HE1  MET  57           HE1      MET  57 -19.964  -0.494  12.816
  423    HE2  MET  57           HE2      MET  57 -20.589  -1.047  14.383
  424    HE3  MET  57           HE3      MET  57 -21.549  -1.295  12.910
  425    H    ASN  58           H        ASN  58 -24.283   1.768   7.561
  426    HA   ASN  58           HA       ASN  58 -23.804   4.543   7.632
  427    HB2  ASN  58           HB2      ASN  58 -24.156   3.167   5.601
  428    HB3  ASN  58           HB3      ASN  58 -25.858   2.976   6.021
  429   HD21  ASN  58          HD22      ASN  58 -25.884   3.896   3.672
  430   HD22  ASN  58          HD21      ASN  58 -25.971   5.644   3.558
  431    H    GLN  59           H        GLN  59 -24.871   6.289   8.420
  432    HA   GLN  59           HA       GLN  59 -27.277   5.899  10.104
  433    HB2  GLN  59           HB2      GLN  59 -25.525   8.346   9.584
  434    HB3  GLN  59           HB3      GLN  59 -26.863   8.256  10.735
  435    HG2  GLN  59           HG2      GLN  59 -25.667   6.441  11.977
  436    HG3  GLN  59           HG3      GLN  59 -24.315   6.571  10.859
  437   HE21  GLN  59          HE21      GLN  59 -23.144   6.945  12.997
  438   HE22  GLN  59          HE22      GLN  59 -23.109   8.608  13.597
  439    H    ALA  60           H        ALA  60 -26.561   7.126   6.860
  440    HA   ALA  60           HA       ALA  60 -28.818   8.923   6.724
  441    HB1  ALA  60           HB1      ALA  60 -28.134   9.116   4.367
  442    HB2  ALA  60           HB2      ALA  60 -26.718   9.195   5.428
  443    HB3  ALA  60           HB3      ALA  60 -27.076   7.699   4.535
  444    H    SER  61           H        SER  61 -28.619   5.485   6.336
  445    HA   SER  61           HA       SER  61 -31.040   5.262   4.652
  446    HB2  SER  61           HB2      SER  61 -30.507   2.811   4.834
  447    HB3  SER  61           HB3      SER  61 -29.246   3.802   4.088
  448    HG   SER  61           HG       SER  61 -28.540   2.223   5.715
  449    H    GLU  62           H        GLU  62 -30.540   5.699   7.951
  450    HA   GLU  62           HA       GLU  62 -32.502   3.818   9.013
  451    HB2  GLU  62           HB2      GLU  62 -31.157   6.226  10.296
  452    HB3  GLU  62           HB3      GLU  62 -32.189   5.050  11.121
  453    HG2  GLU  62           HG2      GLU  62 -30.578   3.229  10.438
  454    HG3  GLU  62           HG3      GLU  62 -29.495   4.476   9.808
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -0.263   9.626 -14.560
    2    H2   GLY   1           H2       GLY   1   0.309  10.111 -16.013
    3    H3   GLY   1           H3       GLY   1   1.338   9.531 -14.877
    4    HA2  GLY   1           HA2      GLY   1   1.519  11.933 -15.024
    5    HA3  GLY   1           HA3      GLY   1  -0.219  12.033 -14.672
    6    HA   PRO   2           HA       PRO   2   2.325  12.095 -10.681
    7    HB2  PRO   2           HB2      PRO   2   2.106  14.711  -9.948
    8    HB3  PRO   2           HB3      PRO   2   3.334  14.144 -11.120
    9    HG2  PRO   2           HG2      PRO   2   0.625  15.373 -11.730
   10    HG3  PRO   2           HG3      PRO   2   2.223  15.836 -12.397
   11    HD2  PRO   2           HD2      PRO   2   0.527  14.162 -13.722
   12    HD3  PRO   2           HD3      PRO   2   2.302  13.926 -13.775
   13    H    HIS   3           H        HIS   3   1.501  12.444  -8.492
   14    HA   HIS   3           HA       HIS   3  -1.390  11.974  -8.276
   15    HB2  HIS   3           HB2      HIS   3   0.803  12.128  -6.168
   16    HB3  HIS   3           HB3      HIS   3  -0.864  11.643  -5.873
   17    HD1  HIS   3           HD1      HIS   3  -1.606   9.200  -6.830
   18    HD2  HIS   3           HD2      HIS   3   2.447  10.282  -7.237
   19    HE1  HIS   3           HE1      HIS   3  -0.341   7.056  -7.397
   20    H    MET   4           H        MET   4  -2.923  13.330  -7.426
   21    HA   MET   4           HA       MET   4  -2.262  16.161  -6.859
   22    HB2  MET   4           HB2      MET   4  -4.901  14.619  -6.800
   23    HB3  MET   4           HB3      MET   4  -4.720  16.349  -6.467
   24    HG2  MET   4           HG2      MET   4  -3.725  16.656  -8.750
   25    HG3  MET   4           HG3      MET   4  -4.006  14.949  -9.073
   26    HE1  MET   4           HE1      MET   4  -6.237  17.838  -7.379
   27    HE2  MET   4           HE2      MET   4  -5.468  18.518  -8.830
   28    HE3  MET   4           HE3      MET   4  -7.223  18.264  -8.791
   29    H    SER   5           H        SER   5  -2.823  17.153  -4.753
   30    HA   SER   5           HA       SER   5  -1.443  15.969  -2.704
   31    HB2  SER   5           HB2      SER   5  -3.693  17.981  -2.356
   32    HB3  SER   5           HB3      SER   5  -2.342  17.704  -1.246
   33    HG   SER   5           HG       SER   5  -1.972  19.504  -2.642
   34    H    TYR   6           H        TYR   6  -5.001  15.728  -3.088
   35    HA   TYR   6           HA       TYR   6  -5.424  14.364  -0.570
   36    HB2  TYR   6           HB2      TYR   6  -7.658  14.016  -1.345
   37    HB3  TYR   6           HB3      TYR   6  -7.172  15.646  -1.750
   38    HD1  TYR   6           HD2      TYR   6  -8.031  12.306  -3.073
   39    HD2  TYR   6           HD1      TYR   6  -6.918  16.341  -4.114
   40    HE1  TYR   6           HE2      TYR   6  -8.675  11.865  -5.428
   41    HE2  TYR   6           HE1      TYR   6  -7.570  15.905  -6.477
   42    HH   TYR   6           HH       TYR   6  -8.836  12.731  -7.548
   43    H    ASP   7           H        ASP   7  -4.615  13.211  -3.824
   44    HA   ASP   7           HA       ASP   7  -5.101  10.384  -3.175
   45    HB2  ASP   7           HB2      ASP   7  -5.592  11.332  -5.410
   46    HB3  ASP   7           HB3      ASP   7  -3.877  11.715  -5.617
   47    H    ALA   8           H        ALA   8  -2.379  12.615  -3.338
   48    HA   ALA   8           HA       ALA   8  -0.271  10.672  -2.915
   49    HB1  ALA   8           HB1      ALA   8   1.041  12.663  -2.273
   50    HB2  ALA   8           HB2      ALA   8   0.119  12.979  -3.753
   51    HB3  ALA   8           HB3      ALA   8  -0.445  13.637  -2.200
   52    H    ASN   9           H        ASN   9  -2.314  12.632  -0.700
   53    HA   ASN   9           HA       ASN   9  -1.300  11.435   1.728
   54    HB2  ASN   9           HB2      ASN   9  -2.381  13.652   1.605
   55    HB3  ASN   9           HB3      ASN   9  -3.906  12.901   1.123
   56   HD21  ASN   9          HD22      ASN   9  -1.450  12.787   3.805
   57   HD22  ASN   9          HD21      ASN   9  -2.660  12.556   5.059
   58    H    VAL  10           H        VAL  10  -4.067  10.695  -0.370
   59    HA   VAL  10           HA       VAL  10  -5.262   8.863  -0.796
   60    HB   VAL  10           HB       VAL  10  -3.745   7.273   1.326
   61   HG11  VAL  10          HG11      VAL  10  -5.611   6.415  -0.931
   62   HG12  VAL  10          HG12      VAL  10  -4.678   5.322   0.110
   63   HG13  VAL  10          HG13      VAL  10  -5.964   6.311   0.808
   64   HG21  VAL  10          HG21      VAL  10  -3.411   7.348  -1.704
   65   HG22  VAL  10          HG22      VAL  10  -2.247   8.021  -0.538
   66   HG23  VAL  10          HG23      VAL  10  -2.545   6.280  -0.582
   67    H    ILE  11           H        ILE  11  -7.115   9.840  -0.208
   68    HA   ILE  11           HA       ILE  11  -8.248   9.301   2.467
   69    HB   ILE  11           HB       ILE  11  -6.786  11.556   2.031
   70   HG12  ILE  11          HG12      ILE  11  -7.790  12.692   3.866
   71   HG13  ILE  11          HG13      ILE  11  -9.251  11.732   3.773
   72   HG21  ILE  11          HG21      ILE  11  -8.270  12.392   0.242
   73   HG22  ILE  11          HG22      ILE  11  -9.598  12.527   1.421
   74   HG23  ILE  11          HG23      ILE  11  -8.131  13.508   1.604
   75   HD11  ILE  11          HD11      ILE  11  -7.644  11.080   5.613
   76   HD12  ILE  11          HD12      ILE  11  -8.013   9.733   4.535
   77   HD13  ILE  11          HD13      ILE  11  -6.470  10.604   4.384
   78    H    ASP  12           H        ASP  12 -10.454   9.358   2.645
   79    HA   ASP  12           HA       ASP  12 -12.079   9.359   0.159
   80    HB2  ASP  12           HB2      ASP  12 -12.674   8.690   3.070
   81    HB3  ASP  12           HB3      ASP  12 -13.943   8.927   1.881
   82    H    ASP  13           H        ASP  13 -12.189  11.469  -0.538
   83    HA   ASP  13           HA       ASP  13 -12.452  13.789   1.046
   84    HB2  ASP  13           HB2      ASP  13 -11.765  13.701  -1.327
   85    HB3  ASP  13           HB3      ASP  13 -13.410  13.253  -1.797
   86    H    GLU  14           H        GLU  14 -14.963  11.612  -0.185
   87    HA   GLU  14           HA       GLU  14 -17.274  13.121   0.633
   88    HB2  GLU  14           HB2      GLU  14 -16.839  10.122   0.442
   89    HB3  GLU  14           HB3      GLU  14 -18.411  10.908   0.646
   90    HG2  GLU  14           HG2      GLU  14 -18.035  12.114  -1.531
   91    HG3  GLU  14           HG3      GLU  14 -16.565  11.156  -1.767
   92    H    ALA  15           H        ALA  15 -15.163  10.807   2.434
   93    HA   ALA  15           HA       ALA  15 -16.718  10.965   4.877
   94    HB1  ALA  15           HB1      ALA  15 -13.777  10.222   4.533
   95    HB2  ALA  15           HB2      ALA  15 -14.811   9.878   5.926
   96    HB3  ALA  15           HB3      ALA  15 -15.141   9.094   4.368
   97    H    VAL  16           H        VAL  16 -13.897  12.813   3.611
   98    HA   VAL  16           HA       VAL  16 -13.475  14.426   5.935
   99    HB   VAL  16           HB       VAL  16 -13.113  15.286   3.033
  100   HG11  VAL  16          HG11      VAL  16 -11.514  16.951   3.943
  101   HG12  VAL  16          HG12      VAL  16 -13.157  17.268   4.487
  102   HG13  VAL  16          HG13      VAL  16 -11.994  16.505   5.593
  103   HG21  VAL  16          HG21      VAL  16 -11.051  14.219   5.012
  104   HG22  VAL  16          HG22      VAL  16 -11.725  13.297   3.655
  105   HG23  VAL  16          HG23      VAL  16 -10.766  14.723   3.325
  106    H    LYS  17           H        LYS  17 -15.658  15.050   3.119
  107    HA   LYS  17           HA       LYS  17 -16.938  17.370   4.148
  108    HB2  LYS  17           HB2      LYS  17 -17.067  16.404   1.802
  109    HB3  LYS  17           HB3      LYS  17 -18.195  15.196   2.427
  110    HG2  LYS  17           HG2      LYS  17 -19.679  17.116   3.215
  111    HG3  LYS  17           HG3      LYS  17 -18.538  18.230   2.464
  112    HD2  LYS  17           HD2      LYS  17 -20.314  17.966   0.899
  113    HD3  LYS  17           HD3      LYS  17 -18.952  17.057   0.262
  114    HE2  LYS  17           HE2      LYS  17 -20.844  15.689  -0.094
  115    HE3  LYS  17           HE3      LYS  17 -19.999  14.947   1.271
  116    HZ1  LYS  17           HZ1      LYS  17 -22.373  16.730   1.485
  117    HZ2  LYS  17           HZ2      LYS  17 -22.398  15.108   1.658
  118    HZ3  LYS  17           HZ3      LYS  17 -21.632  16.026   2.770
  119    H    GLU  18           H        GLU  18 -17.820  13.887   4.587
  120    HA   GLU  18           HA       GLU  18 -20.054  14.370   6.228
  121    HB2  GLU  18           HB2      GLU  18 -19.438  12.221   5.123
  122    HB3  GLU  18           HB3      GLU  18 -18.294  11.921   6.447
  123    HG2  GLU  18           HG2      GLU  18 -20.112  12.020   8.085
  124    HG3  GLU  18           HG3      GLU  18 -21.267  12.507   6.837
  125    H    VAL  19           H        VAL  19 -16.586  13.937   7.313
  126    HA   VAL  19           HA       VAL  19 -17.201  14.328  10.079
  127    HB   VAL  19           HB       VAL  19 -14.649  15.320   8.796
  128   HG11  VAL  19          HG11      VAL  19 -15.330  14.402  11.635
  129   HG12  VAL  19          HG12      VAL  19 -13.702  14.837  11.083
  130   HG13  VAL  19          HG13      VAL  19 -14.964  16.065  11.142
  131   HG21  VAL  19          HG21      VAL  19 -14.715  13.004   8.191
  132   HG22  VAL  19          HG22      VAL  19 -13.676  13.142   9.598
  133   HG23  VAL  19          HG23      VAL  19 -15.326  12.526   9.783
  134    H    CYS  20           H        CYS  20 -16.532  16.799   7.564
  135    HA   CYS  20           HA       CYS  20 -16.657  19.084   9.222
  136    HB2  CYS  20           HB2      CYS  20 -15.869  19.254   6.980
  137    HB3  CYS  20           HB3      CYS  20 -17.366  18.607   6.300
  138    HG   CYS  20           HG       CYS  20 -17.194  21.351   8.137
  139    H    GLU  21           H        GLU  21 -19.437  17.516   7.533
  140    HA   GLU  21           HA       GLU  21 -21.285  19.366   8.819
  141    HB2  GLU  21           HB2      GLU  21 -23.005  18.341   7.529
  142    HB3  GLU  21           HB3      GLU  21 -21.587  18.600   6.518
  143    HG2  GLU  21           HG2      GLU  21 -21.003  16.148   6.906
  144    HG3  GLU  21           HG3      GLU  21 -22.585  15.958   7.660
  145    H    LYS  22           H        LYS  22 -20.450  15.922   9.441
  146    HA   LYS  22           HA       LYS  22 -22.682  15.572  11.299
  147    HB2  LYS  22           HB2      LYS  22 -21.737  13.850   9.707
  148    HB3  LYS  22           HB3      LYS  22 -20.306  13.757  10.734
  149    HG2  LYS  22           HG2      LYS  22 -21.713  12.972  12.626
  150    HG3  LYS  22           HG3      LYS  22 -23.159  13.103  11.597
  151    HD2  LYS  22           HD2      LYS  22 -22.102  11.485  10.003
  152    HD3  LYS  22           HD3      LYS  22 -20.772  11.269  11.151
  153    HE2  LYS  22           HE2      LYS  22 -23.717  10.749  11.791
  154    HE3  LYS  22           HE3      LYS  22 -22.616   9.508  11.188
  155    HZ1  LYS  22           HZ1      LYS  22 -22.228  10.981  13.740
  156    HZ2  LYS  22           HZ2      LYS  22 -22.792   9.453  13.602
  157    HZ3  LYS  22           HZ3      LYS  22 -21.253   9.783  13.162
  158    H    PHE  23           H        PHE  23 -19.102  15.815  11.649
  159    HA   PHE  23           HA       PHE  23 -19.271  15.864  14.570
  160    HB2  PHE  23           HB2      PHE  23 -17.441  14.851  12.961
  161    HB3  PHE  23           HB3      PHE  23 -16.786  16.485  12.989
  162    HD1  PHE  23           HD1      PHE  23 -17.858  13.633  15.153
  163    HD2  PHE  23           HD2      PHE  23 -15.454  17.202  14.857
  164    HE1  PHE  23           HE1      PHE  23 -16.757  13.064  17.300
  165    HE2  PHE  23           HE2      PHE  23 -14.339  16.625  16.996
  166    HZ   PHE  23           HZ       PHE  23 -14.993  14.562  18.233
  167    H    GLU  24           H        GLU  24 -19.551  18.273  12.158
  168    HA   GLU  24           HA       GLU  24 -19.913  20.488  12.235
  169    HB2  GLU  24           HB2      GLU  24 -20.116  20.180  15.256
  170    HB3  GLU  24           HB3      GLU  24 -20.588  21.589  14.304
  171    HG2  GLU  24           HG2      GLU  24 -22.231  20.180  13.059
  172    HG3  GLU  24           HG3      GLU  24 -21.812  18.804  14.084
  173    H    CYS  25           H        CYS  25 -17.772  20.542  11.363
  174    HA   CYS  25           HA       CYS  25 -15.881  22.310  12.719
  175    HB2  CYS  25           HB2      CYS  25 -14.042  20.677  12.800
  176    HB3  CYS  25           HB3      CYS  25 -15.414  20.069  13.748
  177    HG   CYS  25           HG       CYS  25 -16.435  18.556  11.855
  178    H    THR  26           H        THR  26 -13.825  22.587  11.112
  179    HA   THR  26           HA       THR  26 -15.000  22.788   8.384
  180    HB   THR  26           HB       THR  26 -13.171  24.221   7.790
  181    HG1  THR  26           HG1      THR  26 -12.296  23.840  10.452
  182   HG21  THR  26          HG21      THR  26 -14.259  25.055  10.515
  183   HG22  THR  26          HG22      THR  26 -13.579  26.112   9.262
  184   HG23  THR  26          HG23      THR  26 -15.103  25.251   8.963
  185    H    GLU  27           H        GLU  27 -14.091  22.007   6.523
  186    HA   GLU  27           HA       GLU  27 -12.874  19.436   6.556
  187    HB2  GLU  27           HB2      GLU  27 -12.903  21.547   4.354
  188    HB3  GLU  27           HB3      GLU  27 -12.427  19.861   4.140
  189    HG2  GLU  27           HG2      GLU  27 -14.693  19.115   4.815
  190    HG3  GLU  27           HG3      GLU  27 -15.189  20.801   5.032
  191    H    SER  28           H        SER  28 -11.371  22.702   6.287
  192    HA   SER  28           HA       SER  28  -8.701  21.865   5.845
  193    HB2  SER  28           HB2      SER  28  -9.667  24.304   7.391
  194    HB3  SER  28           HB3      SER  28  -8.080  24.087   6.632
  195    HG   SER  28           HG       SER  28  -9.486  25.312   5.303
  196    H    GLU  29           H        GLU  29 -10.461  22.325   8.968
  197    HA   GLU  29           HA       GLU  29  -8.164  21.717  10.635
  198    HB2  GLU  29           HB2      GLU  29 -11.157  21.574  11.141
  199    HB3  GLU  29           HB3      GLU  29  -9.932  21.274  12.376
  200    HG2  GLU  29           HG2      GLU  29  -9.131  23.478  12.372
  201    HG3  GLU  29           HG3      GLU  29  -9.977  23.904  10.893
  202    H    VAL  30           H        VAL  30 -10.855  19.740   9.290
  203    HA   VAL  30           HA       VAL  30 -10.091  17.254  10.500
  204    HB   VAL  30           HB       VAL  30 -11.604  17.826   7.923
  205   HG11  VAL  30          HG11      VAL  30 -12.437  15.485   8.060
  206   HG12  VAL  30          HG12      VAL  30 -10.715  15.548   7.720
  207   HG13  VAL  30          HG13      VAL  30 -11.277  15.148   9.364
  208   HG21  VAL  30          HG21      VAL  30 -13.579  17.317   9.261
  209   HG22  VAL  30          HG22      VAL  30 -12.564  16.915  10.673
  210   HG23  VAL  30          HG23      VAL  30 -12.653  18.574  10.085
  211    H    MET  31           H        MET  31  -9.206  18.596   7.261
  212    HA   MET  31           HA       MET  31  -7.472  16.425   6.578
  213    HB2  MET  31           HB2      MET  31  -7.672  19.303   5.619
  214    HB3  MET  31           HB3      MET  31  -6.447  18.197   5.002
  215    HG2  MET  31           HG2      MET  31  -9.452  17.799   4.857
  216    HG3  MET  31           HG3      MET  31  -8.386  18.220   3.528
  217    HE1  MET  31           HE1      MET  31  -5.848  16.103   4.212
  218    HE2  MET  31           HE2      MET  31  -6.329  14.832   3.079
  219    HE3  MET  31           HE3      MET  31  -6.459  16.536   2.591
  220    H    ASN  32           H        ASN  32  -6.731  19.404   8.449
  221    HA   ASN  32           HA       ASN  32  -3.968  19.351   8.279
  222    HB2  ASN  32           HB2      ASN  32  -5.236  21.110   9.408
  223    HB3  ASN  32           HB3      ASN  32  -5.679  20.007  10.709
  224   HD21  ASN  32          HD22      ASN  32  -4.198  19.694  12.426
  225   HD22  ASN  32          HD21      ASN  32  -2.621  20.451  12.455
  226    H    SER  33           H        SER  33  -5.779  17.618  10.933
  227    HA   SER  33           HA       SER  33  -3.476  16.291  11.957
  228    HB2  SER  33           HB2      SER  33  -6.323  15.246  12.056
  229    HB3  SER  33           HB3      SER  33  -4.998  14.912  13.186
  230    HG   SER  33           HG       SER  33  -6.490  16.528  13.966
  231    H    LEU  34           H        LEU  34  -5.433  15.497   9.156
  232    HA   LEU  34           HA       LEU  34  -4.531  12.685   8.993
  233    HB2  LEU  34           HB2      LEU  34  -6.254  14.450   7.197
  234    HB3  LEU  34           HB3      LEU  34  -5.971  12.733   6.931
  235    HG   LEU  34           HG       LEU  34  -7.330  13.879   9.409
  236   HD11  LEU  34          HD11      LEU  34  -8.652  12.530   7.027
  237   HD12  LEU  34          HD12      LEU  34  -9.431  13.252   8.454
  238   HD13  LEU  34          HD13      LEU  34  -8.605  14.283   7.282
  239   HD21  LEU  34          HD21      LEU  34  -7.116  11.014   8.411
  240   HD22  LEU  34          HD22      LEU  34  -6.347  11.688   9.867
  241   HD23  LEU  34          HD23      LEU  34  -8.104  11.564   9.780
  242    H    TYR  35           H        TYR  35  -3.578  15.828   7.780
  243    HA   TYR  35           HA       TYR  35  -1.729  14.758   5.754
  244    HB2  TYR  35           HB2      TYR  35  -2.909  16.905   5.437
  245    HB3  TYR  35           HB3      TYR  35  -2.162  17.546   6.889
  246    HD1  TYR  35           HD2      TYR  35  -1.454  16.274   3.446
  247    HD2  TYR  35           HD1      TYR  35   0.048  18.485   6.834
  248    HE1  TYR  35           HE2      TYR  35   0.487  17.019   2.091
  249    HE2  TYR  35           HE1      TYR  35   2.003  19.226   5.484
  250    HH   TYR  35           HH       TYR  35   2.427  18.258   2.056
  251    H    SER  36           H        SER  36  -1.528  16.274   9.022
  252    HA   SER  36           HA       SER  36   1.290  15.798   9.408
  253    HB2  SER  36           HB2      SER  36  -0.964  15.987  11.450
  254    HB3  SER  36           HB3      SER  36   0.769  16.073  11.810
  255    HG   SER  36           HG       SER  36  -0.129  18.163  11.622
  256    H    GLY  37           H        GLY  37  -1.552  13.719   9.894
  257    HA2  GLY  37           HA2      GLY  37  -1.564  11.394   9.625
  258    HA3  GLY  37           HA3      GLY  37   0.211  11.349   9.776
  259    H    ASP  38           H        ASP  38  -2.049  12.871  12.067
  260    HA   ASP  38           HA       ASP  38  -1.070  11.041  14.222
  261    HB2  ASP  38           HB2      ASP  38  -0.643  13.411  14.550
  262    HB3  ASP  38           HB3      ASP  38  -2.361  13.777  14.396
  263    HA   PRO  39           HA       PRO  39  -5.348   9.511  13.725
  264    HB2  PRO  39           HB2      PRO  39  -5.065   7.016  14.744
  265    HB3  PRO  39           HB3      PRO  39  -4.349   7.483  13.171
  266    HG2  PRO  39           HG2      PRO  39  -2.988   7.431  15.887
  267    HG3  PRO  39           HG3      PRO  39  -2.428   6.673  14.356
  268    HD2  PRO  39           HD2      PRO  39  -1.553   9.134  15.174
  269    HD3  PRO  39           HD3      PRO  39  -1.813   8.746  13.447
  270    H    GLN  40           H        GLN  40  -3.707  10.439  16.591
  271    HA   GLN  40           HA       GLN  40  -5.809   9.415  18.439
  272    HB2  GLN  40           HB2      GLN  40  -3.213  10.889  19.041
  273    HB3  GLN  40           HB3      GLN  40  -4.284  10.135  20.210
  274    HG2  GLN  40           HG2      GLN  40  -2.641   8.685  18.088
  275    HG3  GLN  40           HG3      GLN  40  -2.295   8.755  19.806
  276   HE21  GLN  40          HE22      GLN  40  -2.600   6.292  18.333
  277   HE22  GLN  40          HE21      GLN  40  -4.019   5.490  18.990
  278    H    ASP  41           H        ASP  41  -5.167  12.223  16.639
  279    HA   ASP  41           HA       ASP  41  -6.265  14.233  18.407
  280    HB2  ASP  41           HB2      ASP  41  -4.807  14.858  16.583
  281    HB3  ASP  41           HB3      ASP  41  -5.860  14.075  15.402
  282    H    GLN  42           H        GLN  42  -8.345  15.063  18.521
  283    HA   GLN  42           HA       GLN  42 -10.492  13.243  18.322
  284    HB2  GLN  42           HB2      GLN  42 -10.452  16.291  18.520
  285    HB3  GLN  42           HB3      GLN  42 -11.923  15.329  18.651
  286    HG2  GLN  42           HG2      GLN  42  -9.521  15.006  20.510
  287    HG3  GLN  42           HG3      GLN  42 -10.945  15.982  20.858
  288   HE21  GLN  42          HE22      GLN  42 -13.030  14.883  21.234
  289   HE22  GLN  42          HE21      GLN  42 -13.037  13.172  21.622
  290    H    LEU  43           H        LEU  43  -9.435  15.573  15.779
  291    HA   LEU  43           HA       LEU  43 -11.882  15.008  14.232
  292    HB2  LEU  43           HB2      LEU  43  -9.363  16.531  13.464
  293    HB3  LEU  43           HB3      LEU  43 -10.841  16.413  12.512
  294    HG   LEU  43           HG       LEU  43 -10.587  17.737  15.251
  295   HD11  LEU  43          HD11      LEU  43 -11.095  18.906  12.485
  296   HD12  LEU  43          HD12      LEU  43 -11.013  19.808  14.015
  297   HD13  LEU  43          HD13      LEU  43  -9.564  18.998  13.389
  298   HD21  LEU  43          HD21      LEU  43 -13.011  17.450  13.413
  299   HD22  LEU  43          HD22      LEU  43 -12.838  16.797  15.056
  300   HD23  LEU  43          HD23      LEU  43 -12.926  18.543  14.815
  301    H    ALA  44           H        ALA  44  -8.599  13.724  14.392
  302    HA   ALA  44           HA       ALA  44  -8.925  12.060  11.993
  303    HB1  ALA  44           HB1      ALA  44  -6.694  12.735  12.837
  304    HB2  ALA  44           HB2      ALA  44  -6.985  11.825  14.338
  305    HB3  ALA  44           HB3      ALA  44  -6.878  10.978  12.781
  306    H    VAL  45           H        VAL  45  -9.384  11.607  15.507
  307    HA   VAL  45           HA       VAL  45 -10.382   8.928  15.431
  308    HB   VAL  45           HB       VAL  45 -10.911  11.234  17.331
  309   HG11  VAL  45          HG11      VAL  45 -12.890   9.830  17.519
  310   HG12  VAL  45          HG12      VAL  45 -11.889   8.357  17.595
  311   HG13  VAL  45          HG13      VAL  45 -11.858   9.546  18.917
  312   HG21  VAL  45          HG21      VAL  45  -9.465   9.928  18.851
  313   HG22  VAL  45          HG22      VAL  45  -9.320   8.640  17.634
  314   HG23  VAL  45          HG23      VAL  45  -8.614  10.240  17.334
  315    H    ALA  46           H        ALA  46 -12.239  12.076  15.268
  316    HA   ALA  46           HA       ALA  46 -14.777  11.051  14.603
  317    HB1  ALA  46           HB1      ALA  46 -14.196  13.426  15.084
  318    HB2  ALA  46           HB2      ALA  46 -13.456  13.546  13.474
  319    HB3  ALA  46           HB3      ALA  46 -15.188  13.210  13.635
  320    H    TYR  47           H        TYR  47 -12.091  11.841  12.300
  321    HA   TYR  47           HA       TYR  47 -13.393  10.972   9.961
  322    HB2  TYR  47           HB2      TYR  47 -11.271  12.306  10.149
  323    HB3  TYR  47           HB3      TYR  47 -10.411  10.828  10.566
  324    HD1  TYR  47           HD2      TYR  47 -12.355  12.586   7.941
  325    HD2  TYR  47           HD1      TYR  47  -9.769   9.250   8.831
  326    HE1  TYR  47           HE2      TYR  47 -12.244  12.039   5.541
  327    HE2  TYR  47           HE1      TYR  47  -9.606   8.736   6.397
  328    HH   TYR  47           HH       TYR  47 -11.487  10.623   3.975
  329    H    HIS  48           H        HIS  48 -11.346   8.956  12.147
  330    HA   HIS  48           HA       HIS  48 -11.653   6.531  10.641
  331    HB2  HIS  48           HB2      HIS  48 -10.037   7.016  12.545
  332    HB3  HIS  48           HB3      HIS  48 -11.361   6.769  13.675
  333    HD1  HIS  48           HD1      HIS  48 -12.648   4.046  12.641
  334    HD2  HIS  48           HD2      HIS  48  -8.524   4.963  12.687
  335    HE1  HIS  48           HE1      HIS  48 -11.419   1.836  12.631
  336    H    LEU  49           H        LEU  49 -13.567   7.709  13.463
  337    HA   LEU  49           HA       LEU  49 -15.491   5.610  13.534
  338    HB2  LEU  49           HB2      LEU  49 -15.306   8.471  14.526
  339    HB3  LEU  49           HB3      LEU  49 -16.841   7.634  14.618
  340    HG   LEU  49           HG       LEU  49 -16.066   5.977  16.101
  341   HD11  LEU  49          HD11      LEU  49 -13.214   7.032  15.890
  342   HD12  LEU  49          HD12      LEU  49 -13.796   5.777  16.988
  343   HD13  LEU  49          HD13      LEU  49 -13.798   5.477  15.250
  344   HD21  LEU  49          HD21      LEU  49 -16.597   8.183  17.077
  345   HD22  LEU  49          HD22      LEU  49 -15.351   7.358  18.030
  346   HD23  LEU  49          HD23      LEU  49 -14.894   8.674  16.925
  347    H    ILE  50           H        ILE  50 -15.462   8.623  11.641
  348    HA   ILE  50           HA       ILE  50 -18.095   8.106  10.495
  349    HB   ILE  50           HB       ILE  50 -15.954  10.194  10.098
  350   HG12  ILE  50          HG12      ILE  50 -18.877  10.137  10.991
  351   HG13  ILE  50          HG13      ILE  50 -17.501  10.190  12.082
  352   HG21  ILE  50          HG21      ILE  50 -17.355  11.360   8.474
  353   HG22  ILE  50          HG22      ILE  50 -16.817   9.819   7.833
  354   HG23  ILE  50          HG23      ILE  50 -18.484   9.980   8.436
  355   HD11  ILE  50          HD11      ILE  50 -18.314  12.408  10.185
  356   HD12  ILE  50          HD12      ILE  50 -18.564  12.361  11.939
  357   HD13  ILE  50          HD13      ILE  50 -16.917  12.432  11.309
  358    H    ILE  51           H        ILE  51 -14.807   7.252   9.430
  359    HA   ILE  51           HA       ILE  51 -15.793   6.185   6.884
  360    HB   ILE  51           HB       ILE  51 -13.220   5.919   8.446
  361   HG12  ILE  51          HG12      ILE  51 -14.023   6.747   5.610
  362   HG13  ILE  51          HG13      ILE  51 -13.579   7.826   6.936
  363   HG21  ILE  51          HG21      ILE  51 -13.651   3.592   7.764
  364   HG22  ILE  51          HG22      ILE  51 -13.979   4.124   6.101
  365   HG23  ILE  51          HG23      ILE  51 -12.349   4.268   6.816
  366   HD11  ILE  51          HD11      ILE  51 -11.260   6.863   6.880
  367   HD12  ILE  51          HD12      ILE  51 -11.731   5.912   5.446
  368   HD13  ILE  51          HD13      ILE  51 -11.755   7.667   5.374
  369    H    ASP  52           H        ASP  52 -15.398   4.811  10.165
  370    HA   ASP  52           HA       ASP  52 -16.440   2.222   9.541
  371    HB2  ASP  52           HB2      ASP  52 -16.684   3.808  12.126
  372    HB3  ASP  52           HB3      ASP  52 -17.074   2.112  11.934
  373    H    ASN  53           H        ASN  53 -18.229   5.239  10.519
  374    HA   ASN  53           HA       ASN  53 -20.829   4.127  10.243
  375    HB2  ASN  53           HB2      ASN  53 -19.965   6.998   9.695
  376    HB3  ASN  53           HB3      ASN  53 -21.621   6.443   9.864
  377   HD21  ASN  53          HD22      ASN  53 -20.809   4.535  12.183
  378   HD22  ASN  53          HD21      ASN  53 -20.688   5.664  13.519
  379    H    ARG  54           H        ARG  54 -18.999   5.921   7.764
  380    HA   ARG  54           HA       ARG  54 -20.712   5.718   5.591
  381    HB2  ARG  54           HB2      ARG  54 -18.843   7.203   5.681
  382    HB3  ARG  54           HB3      ARG  54 -17.705   5.871   5.859
  383    HG2  ARG  54           HG2      ARG  54 -18.031   5.173   3.547
  384    HG3  ARG  54           HG3      ARG  54 -19.260   6.432   3.308
  385    HD2  ARG  54           HD2      ARG  54 -17.634   8.196   3.604
  386    HD3  ARG  54           HD3      ARG  54 -16.463   7.080   4.308
  387    HE   ARG  54           HE       ARG  54 -15.677   6.550   2.240
  388   HH11  ARG  54          HH11      ARG  54 -18.956   7.823   1.612
  389   HH12  ARG  54          HH12      ARG  54 -18.530   8.102  -0.076
  390   HH21  ARG  54          HH21      ARG  54 -15.314   7.021   0.066
  391   HH22  ARG  54          HH22      ARG  54 -16.665   7.658  -0.885
  392    H    ARG  55           H        ARG  55 -18.273   3.312   6.561
  393    HA   ARG  55           HA       ARG  55 -19.025   1.586   4.247
  394    HB2  ARG  55           HB2      ARG  55 -16.649   1.505   6.145
  395    HB3  ARG  55           HB3      ARG  55 -16.999   0.277   4.917
  396    HG2  ARG  55           HG2      ARG  55 -17.088   2.093   3.178
  397    HG3  ARG  55           HG3      ARG  55 -16.503   3.248   4.388
  398    HD2  ARG  55           HD2      ARG  55 -14.379   2.115   4.554
  399    HD3  ARG  55           HD3      ARG  55 -14.990   0.705   3.677
  400    HE   ARG  55           HE       ARG  55 -15.014   1.882   1.638
  401   HH11  ARG  55          HH11      ARG  55 -13.355   3.852   4.094
  402   HH12  ARG  55          HH12      ARG  55 -12.801   4.987   2.878
  403   HH21  ARG  55          HH21      ARG  55 -14.288   3.435   0.202
  404   HH22  ARG  55          HH22      ARG  55 -13.450   4.846   0.809
  405    H    ILE  56           H        ILE  56 -19.195   1.406   7.824
  406    HA   ILE  56           HA       ILE  56 -20.328  -1.349   7.604
  407    HB   ILE  56           HB       ILE  56 -19.679   0.198  10.139
  408   HG12  ILE  56          HG12      ILE  56 -17.956  -1.845   8.667
  409   HG13  ILE  56          HG13      ILE  56 -17.617  -0.117   8.772
  410   HG21  ILE  56          HG21      ILE  56 -19.833  -1.999  11.215
  411   HG22  ILE  56          HG22      ILE  56 -21.328  -1.661  10.373
  412   HG23  ILE  56          HG23      ILE  56 -20.151  -2.777   9.651
  413   HD11  ILE  56          HD11      ILE  56 -16.220  -1.187  10.355
  414   HD12  ILE  56          HD12      ILE  56 -17.469  -0.324  11.270
  415   HD13  ILE  56          HD13      ILE  56 -17.566  -2.094  11.070
  416    H    MET  57           H        MET  57 -21.333   1.777   9.103
  417    HA   MET  57           HA       MET  57 -23.924   0.634   9.799
  418    HB2  MET  57           HB2      MET  57 -22.944   3.517   9.856
  419    HB3  MET  57           HB3      MET  57 -24.546   3.006  10.357
  420    HG2  MET  57           HG2      MET  57 -23.291   3.171  12.333
  421    HG3  MET  57           HG3      MET  57 -23.571   1.462  12.029
  422    HE1  MET  57           HE1      MET  57 -21.848   0.787  13.880
  423    HE2  MET  57           HE2      MET  57 -20.209   1.454  13.990
  424    HE3  MET  57           HE3      MET  57 -21.612   2.514  14.229
  425    H    ASN  58           H        ASN  58 -22.743   2.315   6.975
  426    HA   ASN  58           HA       ASN  58 -25.269   2.826   5.726
  427    HB2  ASN  58           HB2      ASN  58 -23.083   3.791   5.055
  428    HB3  ASN  58           HB3      ASN  58 -22.568   2.191   4.497
  429   HD21  ASN  58          HD22      ASN  58 -25.064   4.754   3.954
  430   HD22  ASN  58          HD21      ASN  58 -25.312   4.337   2.268
  431    H    GLN  59           H        GLN  59 -23.430  -0.162   6.149
  432    HA   GLN  59           HA       GLN  59 -24.986  -1.616   4.058
  433    HB2  GLN  59           HB2      GLN  59 -22.493  -1.692   4.025
  434    HB3  GLN  59           HB3      GLN  59 -22.492  -2.361   5.654
  435    HG2  GLN  59           HG2      GLN  59 -22.116  -4.127   4.038
  436    HG3  GLN  59           HG3      GLN  59 -23.646  -4.391   4.851
  437   HE21  GLN  59          HE22      GLN  59 -24.011  -5.869   2.914
  438   HE22  GLN  59          HE21      GLN  59 -24.626  -5.128   1.445
  439    H    ALA  60           H        ALA  60 -24.323  -1.634   7.588
  440    HA   ALA  60           HA       ALA  60 -25.668  -4.044   8.210
  441    HB1  ALA  60           HB1      ALA  60 -25.216  -1.541   9.899
  442    HB2  ALA  60           HB2      ALA  60 -25.614  -3.160  10.517
  443    HB3  ALA  60           HB3      ALA  60 -24.070  -2.883   9.689
  444    H    SER  61           H        SER  61 -27.730  -4.566   8.895
  445    HA   SER  61           HA       SER  61 -29.910  -2.851   7.939
  446    HB2  SER  61           HB2      SER  61 -31.279  -4.876   8.455
  447    HB3  SER  61           HB3      SER  61 -29.953  -5.150   7.313
  448    HG   SER  61           HG       SER  61 -30.118  -6.798   8.934
  449    H    GLU  62           H        GLU  62 -28.431  -3.311  10.991
  450    HA   GLU  62           HA       GLU  62 -30.314  -1.679  12.452
  451    HB2  GLU  62           HB2      GLU  62 -30.997  -3.281  14.130
  452    HB3  GLU  62           HB3      GLU  62 -31.596  -3.745  12.546
  453    HG2  GLU  62           HG2      GLU  62 -29.777  -5.456  12.369
  454    HG3  GLU  62           HG3      GLU  62 -29.197  -4.986  13.968
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  16.104   3.958   2.127
    2    H2   GLY   1           H2       GLY   1  15.973   5.508   1.613
    3    H3   GLY   1           H3       GLY   1  14.772   4.833   2.497
    4    HA2  GLY   1           HA2      GLY   1  15.577   3.985  -0.213
    5    HA3  GLY   1           HA3      GLY   1  14.271   3.255   0.742
    6    HA   PRO   2           HA       PRO   2  12.810   6.880  -1.971
    7    HB2  PRO   2           HB2      PRO   2  11.309   5.546  -3.836
    8    HB3  PRO   2           HB3      PRO   2  13.073   5.801  -3.995
    9    HG2  PRO   2           HG2      PRO   2  11.634   3.350  -2.926
   10    HG3  PRO   2           HG3      PRO   2  12.937   3.420  -4.157
   11    HD2  PRO   2           HD2      PRO   2  13.468   2.872  -1.548
   12    HD3  PRO   2           HD3      PRO   2  14.581   3.881  -2.522
   13    H    HIS   3           H        HIS   3  10.774   7.847  -1.846
   14    HA   HIS   3           HA       HIS   3   8.396   6.579  -0.808
   15    HB2  HIS   3           HB2      HIS   3   8.419   7.674   1.405
   16    HB3  HIS   3           HB3      HIS   3   9.725   6.517   1.252
   17    HD1  HIS   3           HD1      HIS   3  12.260   7.570   1.147
   18    HD2  HIS   3           HD2      HIS   3   9.071  10.263   1.732
   19    HE1  HIS   3           HE1      HIS   3  13.306   9.759   1.908
   20    H    MET   4           H        MET   4   6.734   8.280  -0.191
   21    HA   MET   4           HA       MET   4   7.089  10.913  -1.535
   22    HB2  MET   4           HB2      MET   4   4.786   8.985  -2.075
   23    HB3  MET   4           HB3      MET   4   4.891  10.653  -2.648
   24    HG2  MET   4           HG2      MET   4   7.008  10.039  -3.865
   25    HG3  MET   4           HG3      MET   4   6.709   8.357  -3.448
   26    HE1  MET   4           HE1      MET   4   3.488   7.477  -5.465
   27    HE2  MET   4           HE2      MET   4   4.752   6.898  -4.360
   28    HE3  MET   4           HE3      MET   4   3.509   8.039  -3.784
   29    H    SER   5           H        SER   5   5.612  12.537  -0.856
   30    HA   SER   5           HA       SER   5   4.518  12.302   1.842
   31    HB2  SER   5           HB2      SER   5   3.743  14.631   1.372
   32    HB3  SER   5           HB3      SER   5   5.479  14.386   1.142
   33    HG   SER   5           HG       SER   5   4.538  15.583  -0.592
   34    H    TYR   6           H        TYR   6   3.278  11.489  -1.267
   35    HA   TYR   6           HA       TYR   6   0.571  12.082  -1.152
   36    HB2  TYR   6           HB2      TYR   6   1.731  11.129  -3.086
   37    HB3  TYR   6           HB3      TYR   6   1.936   9.598  -2.237
   38    HD1  TYR   6           HD1      TYR   6  -0.611  11.936  -3.665
   39    HD2  TYR   6           HD2      TYR   6   0.178   7.956  -2.200
   40    HE1  TYR   6           HE1      TYR   6  -2.838  11.196  -4.487
   41    HE2  TYR   6           HE2      TYR   6  -2.044   7.206  -3.032
   42    HH   TYR   6           HH       TYR   6  -4.304   9.439  -4.699
   43    H    ASP   7           H        ASP   7   2.208   9.380   0.496
   44    HA   ASP   7           HA       ASP   7  -0.087   7.927   1.333
   45    HB2  ASP   7           HB2      ASP   7   2.246   7.094   1.309
   46    HB3  ASP   7           HB3      ASP   7   2.653   8.193   2.629
   47    H    ALA   8           H        ALA   8   1.335  10.853   2.669
   48    HA   ALA   8           HA       ALA   8  -0.463  10.825   5.043
   49    HB1  ALA   8           HB1      ALA   8   1.640  12.839   4.106
   50    HB2  ALA   8           HB2      ALA   8   0.739  12.893   5.633
   51    HB3  ALA   8           HB3      ALA   8   1.880  11.570   5.333
   52    H    ASN   9           H        ASN   9   0.045  12.582   1.957
   53    HA   ASN   9           HA       ASN   9  -1.985  14.531   2.423
   54    HB2  ASN   9           HB2      ASN   9  -0.026  14.770   0.899
   55    HB3  ASN   9           HB3      ASN   9  -0.759  13.598  -0.200
   56   HD21  ASN   9          HD22      ASN   9  -2.122  14.438  -1.800
   57   HD22  ASN   9          HD21      ASN   9  -2.792  16.057  -1.746
   58    H    VAL  10           H        VAL  10  -2.198  11.330   0.866
   59    HA   VAL  10           HA       VAL  10  -4.670  11.714  -0.464
   60    HB   VAL  10           HB       VAL  10  -3.106   9.875  -0.909
   61   HG11  VAL  10          HG11      VAL  10  -2.677   9.140   1.468
   62   HG12  VAL  10          HG12      VAL  10  -4.291   8.404   1.477
   63   HG13  VAL  10          HG13      VAL  10  -3.055   7.826   0.347
   64   HG21  VAL  10          HG21      VAL  10  -5.408   9.838  -1.780
   65   HG22  VAL  10          HG22      VAL  10  -4.791   8.207  -1.489
   66   HG23  VAL  10          HG23      VAL  10  -5.942   8.928  -0.349
   67    H    ILE  11           H        ILE  11  -6.766  11.599   0.097
   68    HA   ILE  11           HA       ILE  11  -7.639  10.889   2.838
   69    HB   ILE  11           HB       ILE  11  -6.847  13.505   2.175
   70   HG12  ILE  11          HG12      ILE  11  -7.968  14.212   4.266
   71   HG13  ILE  11          HG13      ILE  11  -8.757  12.636   4.368
   72   HG21  ILE  11          HG21      ILE  11  -8.844  13.857   0.756
   73   HG22  ILE  11          HG22      ILE  11  -9.882  13.549   2.176
   74   HG23  ILE  11          HG23      ILE  11  -8.781  14.935   2.156
   75   HD11  ILE  11          HD11      ILE  11  -5.728  13.016   4.252
   76   HD12  ILE  11          HD12      ILE  11  -6.652  12.947   5.753
   77   HD13  ILE  11          HD13      ILE  11  -6.619  11.533   4.697
   78    H    ASP  12           H        ASP  12  -9.916  10.612   3.069
   79    HA   ASP  12           HA       ASP  12 -11.369  10.150   0.530
   80    HB2  ASP  12           HB2      ASP  12 -11.523   8.632   2.665
   81    HB3  ASP  12           HB3      ASP  12 -12.630   9.901   3.236
   82    H    ASP  13           H        ASP  13 -12.228  11.871  -0.438
   83    HA   ASP  13           HA       ASP  13 -12.751  14.359   0.824
   84    HB2  ASP  13           HB2      ASP  13 -13.711  15.057  -1.222
   85    HB3  ASP  13           HB3      ASP  13 -12.321  14.054  -1.605
   86    H    GLU  14           H        GLU  14 -14.868  11.506   0.384
   87    HA   GLU  14           HA       GLU  14 -17.228  12.931   1.257
   88    HB2  GLU  14           HB2      GLU  14 -16.691   9.997   0.853
   89    HB3  GLU  14           HB3      GLU  14 -18.215  10.602   1.486
   90    HG2  GLU  14           HG2      GLU  14 -17.033  11.426  -1.195
   91    HG3  GLU  14           HG3      GLU  14 -18.181  10.114  -0.974
   92    H    ALA  15           H        ALA  15 -14.827  10.963   2.980
   93    HA   ALA  15           HA       ALA  15 -16.210  11.194   5.522
   94    HB1  ALA  15           HB1      ALA  15 -14.101  10.501   6.505
   95    HB2  ALA  15           HB2      ALA  15 -14.341   9.574   5.007
   96    HB3  ALA  15           HB3      ALA  15 -13.213  10.944   5.034
   97    H    VAL  16           H        VAL  16 -13.616  13.201   4.013
   98    HA   VAL  16           HA       VAL  16 -13.428  15.048   6.190
   99    HB   VAL  16           HB       VAL  16 -12.717  15.228   3.246
  100   HG11  VAL  16          HG11      VAL  16 -11.423  17.299   3.750
  101   HG12  VAL  16          HG12      VAL  16 -13.164  17.537   3.815
  102   HG13  VAL  16          HG13      VAL  16 -12.225  17.392   5.330
  103   HG21  VAL  16          HG21      VAL  16 -11.351  13.767   4.720
  104   HG22  VAL  16          HG22      VAL  16 -10.413  15.149   4.138
  105   HG23  VAL  16          HG23      VAL  16 -11.039  15.139   5.800
  106    H    LYS  17           H        LYS  17 -15.448  15.294   3.189
  107    HA   LYS  17           HA       LYS  17 -16.849  17.681   3.884
  108    HB2  LYS  17           HB2      LYS  17 -17.587  15.249   2.208
  109    HB3  LYS  17           HB3      LYS  17 -18.638  16.657   2.363
  110    HG2  LYS  17           HG2      LYS  17 -17.074  18.122   1.311
  111    HG3  LYS  17           HG3      LYS  17 -15.761  16.953   1.432
  112    HD2  LYS  17           HD2      LYS  17 -16.535  16.997  -0.857
  113    HD3  LYS  17           HD3      LYS  17 -16.930  15.436  -0.130
  114    HE2  LYS  17           HE2      LYS  17 -19.279  16.342   0.313
  115    HE3  LYS  17           HE3      LYS  17 -18.831  17.763  -0.653
  116    HZ1  LYS  17           HZ1      LYS  17 -18.869  14.935  -1.575
  117    HZ2  LYS  17           HZ2      LYS  17 -19.938  16.099  -2.012
  118    HZ3  LYS  17           HZ3      LYS  17 -18.383  16.203  -2.506
  119    H    GLU  18           H        GLU  18 -17.707  14.240   4.684
  120    HA   GLU  18           HA       GLU  18 -20.061  14.891   6.169
  121    HB2  GLU  18           HB2      GLU  18 -18.142  12.564   6.183
  122    HB3  GLU  18           HB3      GLU  18 -19.314  12.710   7.486
  123    HG2  GLU  18           HG2      GLU  18 -20.112  12.729   4.557
  124    HG3  GLU  18           HG3      GLU  18 -20.029  11.270   5.545
  125    H    VAL  19           H        VAL  19 -16.688  14.415   7.438
  126    HA   VAL  19           HA       VAL  19 -17.251  14.797  10.134
  127    HB   VAL  19           HB       VAL  19 -14.779  15.737   8.646
  128   HG11  VAL  19          HG11      VAL  19 -15.206  15.250  11.632
  129   HG12  VAL  19          HG12      VAL  19 -13.617  15.427  10.884
  130   HG13  VAL  19          HG13      VAL  19 -14.753  16.787  10.862
  131   HG21  VAL  19          HG21      VAL  19 -14.729  13.258  10.316
  132   HG22  VAL  19          HG22      VAL  19 -15.573  13.134   8.788
  133   HG23  VAL  19          HG23      VAL  19 -13.882  13.648   8.802
  134    H    CYS  20           H        CYS  20 -16.784  17.387   7.713
  135    HA   CYS  20           HA       CYS  20 -16.708  19.662   9.366
  136    HB2  CYS  20           HB2      CYS  20 -16.307  19.670   6.947
  137    HB3  CYS  20           HB3      CYS  20 -17.994  19.220   6.623
  138    HG   CYS  20           HG       CYS  20 -17.182  21.860   8.446
  139    H    GLU  21           H        GLU  21 -19.682  18.009   8.144
  140    HA   GLU  21           HA       GLU  21 -21.335  19.819   9.828
  141    HB2  GLU  21           HB2      GLU  21 -23.236  18.993   8.596
  142    HB3  GLU  21           HB3      GLU  21 -21.989  19.635   7.529
  143    HG2  GLU  21           HG2      GLU  21 -21.287  17.321   6.942
  144    HG3  GLU  21           HG3      GLU  21 -22.523  16.672   8.021
  145    H    LYS  22           H        LYS  22 -20.491  16.380   9.594
  146    HA   LYS  22           HA       LYS  22 -22.470  15.420  11.457
  147    HB2  LYS  22           HB2      LYS  22 -21.393  14.130   9.612
  148    HB3  LYS  22           HB3      LYS  22 -19.844  14.252  10.424
  149    HG2  LYS  22           HG2      LYS  22 -20.847  12.046  10.670
  150    HG3  LYS  22           HG3      LYS  22 -20.566  12.817  12.225
  151    HD2  LYS  22           HD2      LYS  22 -22.693  11.557  12.110
  152    HD3  LYS  22           HD3      LYS  22 -22.895  13.248  12.549
  153    HE2  LYS  22           HE2      LYS  22 -24.672  12.641  11.056
  154    HE3  LYS  22           HE3      LYS  22 -23.628  13.781  10.210
  155    HZ1  LYS  22           HZ1      LYS  22 -22.734  11.982   8.896
  156    HZ2  LYS  22           HZ2      LYS  22 -23.444  10.835   9.846
  157    HZ3  LYS  22           HZ3      LYS  22 -24.346  11.799   8.890
  158    H    PHE  23           H        PHE  23 -19.011  16.271  11.803
  159    HA   PHE  23           HA       PHE  23 -19.136  15.879  14.739
  160    HB2  PHE  23           HB2      PHE  23 -17.325  14.982  13.086
  161    HB3  PHE  23           HB3      PHE  23 -16.698  16.628  13.125
  162    HD1  PHE  23           HD1      PHE  23 -17.747  13.790  15.342
  163    HD2  PHE  23           HD2      PHE  23 -15.241  17.273  14.892
  164    HE1  PHE  23           HE1      PHE  23 -16.580  13.210  17.440
  165    HE2  PHE  23           HE2      PHE  23 -14.030  16.666  16.967
  166    HZ   PHE  23           HZ       PHE  23 -14.705  14.634  18.264
  167    H    GLU  24           H        GLU  24 -19.372  18.475  12.500
  168    HA   GLU  24           HA       GLU  24 -19.715  20.688  12.723
  169    HB2  GLU  24           HB2      GLU  24 -19.783  20.276  15.738
  170    HB3  GLU  24           HB3      GLU  24 -20.249  21.727  14.848
  171    HG2  GLU  24           HG2      GLU  24 -21.994  20.431  13.636
  172    HG3  GLU  24           HG3      GLU  24 -21.574  18.994  14.581
  173    H    CYS  25           H        CYS  25 -17.657  20.793  11.723
  174    HA   CYS  25           HA       CYS  25 -15.772  22.536  13.109
  175    HB2  CYS  25           HB2      CYS  25 -15.151  20.062  13.669
  176    HB3  CYS  25           HB3      CYS  25 -14.567  19.993  11.987
  177    HG   CYS  25           HG       CYS  25 -12.555  20.454  13.681
  178    H    THR  26           H        THR  26 -13.750  22.765  11.409
  179    HA   THR  26           HA       THR  26 -14.918  23.303   8.708
  180    HB   THR  26           HB       THR  26 -12.811  24.551   8.278
  181    HG1  THR  26           HG1      THR  26 -11.670  25.178  10.187
  182   HG21  THR  26          HG21      THR  26 -13.474  26.543   9.560
  183   HG22  THR  26          HG22      THR  26 -14.913  25.702   8.962
  184   HG23  THR  26          HG23      THR  26 -14.443  25.545  10.668
  185    H    GLU  27           H        GLU  27 -14.062  22.381   6.898
  186    HA   GLU  27           HA       GLU  27 -13.292  19.679   7.321
  187    HB2  GLU  27           HB2      GLU  27 -13.600  19.336   5.069
  188    HB3  GLU  27           HB3      GLU  27 -14.734  20.589   5.477
  189    HG2  GLU  27           HG2      GLU  27 -12.112  20.941   3.970
  190    HG3  GLU  27           HG3      GLU  27 -13.726  20.958   3.293
  191    H    SER  28           H        SER  28 -11.379  22.409   6.063
  192    HA   SER  28           HA       SER  28  -9.001  21.063   5.451
  193    HB2  SER  28           HB2      SER  28  -9.360  23.890   6.529
  194    HB3  SER  28           HB3      SER  28  -7.935  23.279   5.675
  195    HG   SER  28           HG       SER  28 -10.608  23.471   4.625
  196    H    GLU  29           H        GLU  29 -10.127  22.011   8.708
  197    HA   GLU  29           HA       GLU  29  -7.565  21.493   9.994
  198    HB2  GLU  29           HB2      GLU  29 -10.409  21.663  11.073
  199    HB3  GLU  29           HB3      GLU  29  -8.990  21.399  12.083
  200    HG2  GLU  29           HG2      GLU  29  -9.387  23.836  10.296
  201    HG3  GLU  29           HG3      GLU  29  -9.735  23.773  12.021
  202    H    VAL  30           H        VAL  30 -10.276  19.478   8.978
  203    HA   VAL  30           HA       VAL  30  -9.605  17.136  10.569
  204    HB   VAL  30           HB       VAL  30 -11.017  17.127   7.863
  205   HG11  VAL  30          HG11      VAL  30 -11.210  15.254  10.236
  206   HG12  VAL  30          HG12      VAL  30 -12.137  15.134   8.724
  207   HG13  VAL  30          HG13      VAL  30 -10.386  14.920   8.696
  208   HG21  VAL  30          HG21      VAL  30 -12.193  18.779   9.285
  209   HG22  VAL  30          HG22      VAL  30 -13.157  17.349   8.984
  210   HG23  VAL  30          HG23      VAL  30 -12.361  17.567  10.561
  211    H    MET  31           H        MET  31  -8.951  18.229   7.215
  212    HA   MET  31           HA       MET  31  -7.217  16.083   6.420
  213    HB2  MET  31           HB2      MET  31  -7.239  19.015   5.557
  214    HB3  MET  31           HB3      MET  31  -6.379  17.707   4.740
  215    HG2  MET  31           HG2      MET  31  -8.506  16.571   4.253
  216    HG3  MET  31           HG3      MET  31  -9.396  17.794   5.152
  217    HE1  MET  31           HE1      MET  31  -7.384  18.462   1.037
  218    HE2  MET  31           HE2      MET  31  -6.396  18.281   2.497
  219    HE3  MET  31           HE3      MET  31  -7.402  16.927   1.930
  220    H    ASN  32           H        ASN  32  -6.456  19.264   7.958
  221    HA   ASN  32           HA       ASN  32  -3.689  19.024   8.018
  222    HB2  ASN  32           HB2      ASN  32  -4.978  21.054   8.585
  223    HB3  ASN  32           HB3      ASN  32  -5.478  20.323  10.108
  224   HD21  ASN  32          HD22      ASN  32  -3.953  20.243  11.869
  225   HD22  ASN  32          HD21      ASN  32  -2.382  21.005  11.741
  226    H    SER  33           H        SER  33  -5.926  17.836  10.688
  227    HA   SER  33           HA       SER  33  -3.661  16.814  12.166
  228    HB2  SER  33           HB2      SER  33  -5.264  15.715  13.608
  229    HB3  SER  33           HB3      SER  33  -5.673  17.415  13.332
  230    HG   SER  33           HG       SER  33  -7.467  16.104  13.269
  231    H    LEU  34           H        LEU  34  -5.247  15.466   9.414
  232    HA   LEU  34           HA       LEU  34  -4.252  12.725   9.956
  233    HB2  LEU  34           HB2      LEU  34  -5.793  14.018   7.681
  234    HB3  LEU  34           HB3      LEU  34  -5.286  12.332   7.667
  235    HG   LEU  34           HG       LEU  34  -7.029  13.454   9.903
  236   HD11  LEU  34          HD11      LEU  34  -8.989  12.719   8.758
  237   HD12  LEU  34          HD12      LEU  34  -8.129  13.804   7.664
  238   HD13  LEU  34          HD13      LEU  34  -8.042  12.049   7.409
  239   HD21  LEU  34          HD21      LEU  34  -5.937  11.286  10.374
  240   HD22  LEU  34          HD22      LEU  34  -7.684  11.063  10.151
  241   HD23  LEU  34          HD23      LEU  34  -6.563  10.621   8.853
  242    H    TYR  35           H        TYR  35  -3.283  15.648   8.297
  243    HA   TYR  35           HA       TYR  35  -1.276  14.264   6.629
  244    HB2  TYR  35           HB2      TYR  35  -2.684  15.947   5.604
  245    HB3  TYR  35           HB3      TYR  35  -2.263  17.126   6.839
  246    HD1  TYR  35           HD2      TYR  35  -0.526  14.906   4.342
  247    HD2  TYR  35           HD1      TYR  35  -0.679  18.755   6.265
  248    HE1  TYR  35           HE2      TYR  35   1.374  15.671   2.933
  249    HE2  TYR  35           HE1      TYR  35   1.224  19.533   4.870
  250    HH   TYR  35           HH       TYR  35   2.788  17.421   2.433
  251    H    SER  36           H        SER  36  -1.261  16.944   9.034
  252    HA   SER  36           HA       SER  36   1.696  16.551   9.447
  253    HB2  SER  36           HB2      SER  36   1.737  19.019   9.760
  254    HB3  SER  36           HB3      SER  36   1.219  18.535   8.135
  255    HG   SER  36           HG       SER  36  -0.125  20.188   9.068
  256    H    GLY  37           H        GLY  37  -1.341  16.614  11.067
  257    HA2  GLY  37           HA2      GLY  37  -0.148  17.063  13.765
  258    HA3  GLY  37           HA3      GLY  37  -1.851  16.750  13.399
  259    H    ASP  38           H        ASP  38  -2.353  14.930  14.482
  260    HA   ASP  38           HA       ASP  38  -0.850  12.460  13.903
  261    HB2  ASP  38           HB2      ASP  38   0.066  13.353  15.989
  262    HB3  ASP  38           HB3      ASP  38  -1.550  13.392  16.704
  263    HA   PRO  39           HA       PRO  39  -4.989  11.059  13.125
  264    HB2  PRO  39           HB2      PRO  39  -3.912   8.356  13.949
  265    HB3  PRO  39           HB3      PRO  39  -4.922   8.781  12.531
  266    HG2  PRO  39           HG2      PRO  39  -2.266   8.447  12.232
  267    HG3  PRO  39           HG3      PRO  39  -3.079   9.840  11.439
  268    HD2  PRO  39           HD2      PRO  39  -1.482   9.807  14.012
  269    HD3  PRO  39           HD3      PRO  39  -1.458  10.975  12.656
  270    H    GLN  40           H        GLN  40  -3.771  10.860  16.327
  271    HA   GLN  40           HA       GLN  40  -6.215   9.619  17.488
  272    HB2  GLN  40           HB2      GLN  40  -3.525  10.504  18.582
  273    HB3  GLN  40           HB3      GLN  40  -4.881  10.270  19.649
  274    HG2  GLN  40           HG2      GLN  40  -3.451   8.295  19.561
  275    HG3  GLN  40           HG3      GLN  40  -5.126   7.979  19.133
  276   HE21  GLN  40          HE22      GLN  40  -2.271   9.070  17.075
  277   HE22  GLN  40          HE21      GLN  40  -2.405   7.656  16.034
  278    H    ASP  41           H        ASP  41  -5.447  12.619  16.298
  279    HA   ASP  41           HA       ASP  41  -6.679  14.447  18.137
  280    HB2  ASP  41           HB2      ASP  41  -5.300  15.248  16.333
  281    HB3  ASP  41           HB3      ASP  41  -6.253  14.370  15.134
  282    H    GLN  42           H        GLN  42  -8.800  15.251  18.217
  283    HA   GLN  42           HA       GLN  42 -10.914  13.391  18.014
  284    HB2  GLN  42           HB2      GLN  42 -10.986  16.440  18.124
  285    HB3  GLN  42           HB3      GLN  42 -12.386  15.391  18.356
  286    HG2  GLN  42           HG2      GLN  42 -11.296  14.328  20.315
  287    HG3  GLN  42           HG3      GLN  42  -9.897  15.389  20.121
  288   HE21  GLN  42          HE22      GLN  42 -13.433  15.395  20.866
  289   HE22  GLN  42          HE21      GLN  42 -13.373  16.935  21.713
  290    H    LEU  43           H        LEU  43  -9.893  15.793  15.521
  291    HA   LEU  43           HA       LEU  43 -12.277  15.288  13.888
  292    HB2  LEU  43           HB2      LEU  43  -9.659  16.569  13.014
  293    HB3  LEU  43           HB3      LEU  43 -11.233  16.706  12.267
  294    HG   LEU  43           HG       LEU  43 -10.427  17.884  14.961
  295   HD11  LEU  43          HD11      LEU  43 -10.606  20.037  13.810
  296   HD12  LEU  43          HD12      LEU  43  -9.420  19.004  13.001
  297   HD13  LEU  43          HD13      LEU  43 -11.037  19.218  12.290
  298   HD21  LEU  43          HD21      LEU  43 -12.806  17.272  14.978
  299   HD22  LEU  43          HD22      LEU  43 -12.613  19.023  14.922
  300   HD23  LEU  43          HD23      LEU  43 -13.063  18.136  13.442
  301    H    ALA  44           H        ALA  44  -8.902  14.130  13.960
  302    HA   ALA  44           HA       ALA  44  -9.108  12.474  11.597
  303    HB1  ALA  44           HB1      ALA  44  -6.938  13.144  12.510
  304    HB2  ALA  44           HB2      ALA  44  -7.294  12.318  14.046
  305    HB3  ALA  44           HB3      ALA  44  -7.098  11.374  12.562
  306    H    VAL  45           H        VAL  45  -9.602  11.811  15.076
  307    HA   VAL  45           HA       VAL  45 -10.491   9.119  14.842
  308    HB   VAL  45           HB       VAL  45 -11.048  11.298  16.872
  309   HG11  VAL  45          HG11      VAL  45 -12.012   8.408  16.995
  310   HG12  VAL  45          HG12      VAL  45 -11.938   9.514  18.385
  311   HG13  VAL  45          HG13      VAL  45 -13.010   9.886  17.037
  312   HG21  VAL  45          HG21      VAL  45  -9.450   8.697  17.019
  313   HG22  VAL  45          HG22      VAL  45  -8.744  10.298  16.750
  314   HG23  VAL  45          HG23      VAL  45  -9.551   9.944  18.281
  315    H    ALA  46           H        ALA  46 -12.469  12.190  14.687
  316    HA   ALA  46           HA       ALA  46 -14.959  10.976  14.121
  317    HB1  ALA  46           HB1      ALA  46 -14.570  13.370  14.662
  318    HB2  ALA  46           HB2      ALA  46 -13.871  13.612  13.053
  319    HB3  ALA  46           HB3      ALA  46 -15.567  13.136  13.213
  320    H    TYR  47           H        TYR  47 -12.430  12.020  11.768
  321    HA   TYR  47           HA       TYR  47 -13.670  11.146   9.381
  322    HB2  TYR  47           HB2      TYR  47 -11.758  12.565   9.363
  323    HB3  TYR  47           HB3      TYR  47 -10.792  11.443  10.272
  324    HD1  TYR  47           HD1      TYR  47  -9.769   9.454   9.250
  325    HD2  TYR  47           HD2      TYR  47 -11.967  12.365   6.945
  326    HE1  TYR  47           HE1      TYR  47  -8.674   8.635   7.182
  327    HE2  TYR  47           HE2      TYR  47 -10.865  11.533   4.867
  328    HH   TYR  47           HH       TYR  47  -8.481   8.870   4.907
  329    H    HIS  48           H        HIS  48 -11.440   9.225  11.491
  330    HA   HIS  48           HA       HIS  48 -11.730   6.795  10.006
  331    HB2  HIS  48           HB2      HIS  48 -10.986   7.373  12.901
  332    HB3  HIS  48           HB3      HIS  48 -10.962   5.757  12.208
  333    HD1  HIS  48           HD1      HIS  48  -9.412   5.908   9.614
  334    HD2  HIS  48           HD2      HIS  48  -8.541   8.271  12.984
  335    HE1  HIS  48           HE1      HIS  48  -6.998   6.653   9.355
  336    H    LEU  49           H        LEU  49 -13.633   7.931  12.862
  337    HA   LEU  49           HA       LEU  49 -15.336   5.631  13.033
  338    HB2  LEU  49           HB2      LEU  49 -15.666   8.545  13.874
  339    HB3  LEU  49           HB3      LEU  49 -16.866   7.319  14.235
  340    HG   LEU  49           HG       LEU  49 -13.978   7.105  15.171
  341   HD11  LEU  49          HD11      LEU  49 -14.804   7.876  17.360
  342   HD12  LEU  49          HD12      LEU  49 -15.084   9.114  16.126
  343   HD13  LEU  49          HD13      LEU  49 -16.433   8.107  16.683
  344   HD21  LEU  49          HD21      LEU  49 -15.132   4.934  15.111
  345   HD22  LEU  49          HD22      LEU  49 -14.918   5.470  16.781
  346   HD23  LEU  49          HD23      LEU  49 -16.509   5.622  16.005
  347    H    ILE  50           H        ILE  50 -15.670   8.614  11.121
  348    HA   ILE  50           HA       ILE  50 -18.312   7.937  10.094
  349    HB   ILE  50           HB       ILE  50 -16.165   9.970   9.426
  350   HG12  ILE  50          HG12      ILE  50 -19.081  10.303  10.293
  351   HG13  ILE  50          HG13      ILE  50 -17.778  10.072  11.457
  352   HG21  ILE  50          HG21      ILE  50 -18.790   9.671   7.908
  353   HG22  ILE  50          HG22      ILE  50 -17.629  11.017   7.781
  354   HG23  ILE  50          HG23      ILE  50 -17.160   9.418   7.240
  355   HD11  ILE  50          HD11      ILE  50 -17.998  12.418   9.537
  356   HD12  ILE  50          HD12      ILE  50 -18.291  12.419  11.288
  357   HD13  ILE  50          HD13      ILE  50 -16.664  12.115  10.680
  358    H    ILE  51           H        ILE  51 -15.020   7.317   8.849
  359    HA   ILE  51           HA       ILE  51 -15.930   5.981   6.417
  360    HB   ILE  51           HB       ILE  51 -13.335   5.895   8.007
  361   HG12  ILE  51          HG12      ILE  51 -14.021   7.008   5.243
  362   HG13  ILE  51          HG13      ILE  51 -14.022   7.968   6.716
  363   HG21  ILE  51          HG21      ILE  51 -13.943   4.475   5.368
  364   HG22  ILE  51          HG22      ILE  51 -12.334   4.637   6.109
  365   HG23  ILE  51          HG23      ILE  51 -13.566   3.692   6.919
  366   HD11  ILE  51          HD11      ILE  51 -11.588   6.654   5.467
  367   HD12  ILE  51          HD12      ILE  51 -11.974   8.377   5.547
  368   HD13  ILE  51          HD13      ILE  51 -11.604   7.487   7.044
  369    H    ASP  52           H        ASP  52 -15.225   4.760   9.725
  370    HA   ASP  52           HA       ASP  52 -15.925   2.036   9.188
  371    HB2  ASP  52           HB2      ASP  52 -16.091   3.675  11.745
  372    HB3  ASP  52           HB3      ASP  52 -16.399   1.945  11.653
  373    H    ASN  53           H        ASN  53 -18.043   4.677  10.493
  374    HA   ASN  53           HA       ASN  53 -20.365   3.057  10.556
  375    HB2  ASN  53           HB2      ASN  53 -20.054   6.085  10.291
  376    HB3  ASN  53           HB3      ASN  53 -21.591   5.282  10.581
  377   HD21  ASN  53          HD22      ASN  53 -21.014   7.097  12.407
  378   HD22  ASN  53          HD21      ASN  53 -20.467   6.356  13.900
  379    H    ARG  54           H        ARG  54 -19.180   5.129   7.835
  380    HA   ARG  54           HA       ARG  54 -21.315   4.562   6.013
  381    HB2  ARG  54           HB2      ARG  54 -18.368   5.163   5.640
  382    HB3  ARG  54           HB3      ARG  54 -19.448   4.901   4.268
  383    HG2  ARG  54           HG2      ARG  54 -20.775   6.834   4.777
  384    HG3  ARG  54           HG3      ARG  54 -20.046   7.005   6.383
  385    HD2  ARG  54           HD2      ARG  54 -19.015   8.647   4.896
  386    HD3  ARG  54           HD3      ARG  54 -17.847   7.377   5.359
  387    HE   ARG  54           HE       ARG  54 -19.246   6.848   2.842
  388   HH11  ARG  54          HH11      ARG  54 -16.506   8.618   4.186
  389   HH12  ARG  54          HH12      ARG  54 -15.640   8.608   2.665
  390   HH21  ARG  54          HH21      ARG  54 -17.994   6.770   0.932
  391   HH22  ARG  54          HH22      ARG  54 -16.417   7.523   0.917
  392    H    ARG  55           H        ARG  55 -18.315   2.787   6.675
  393    HA   ARG  55           HA       ARG  55 -18.729   0.744   4.710
  394    HB2  ARG  55           HB2      ARG  55 -16.542   1.393   5.700
  395    HB3  ARG  55           HB3      ARG  55 -17.009   0.591   7.213
  396    HG2  ARG  55           HG2      ARG  55 -17.231  -1.557   5.957
  397    HG3  ARG  55           HG3      ARG  55 -16.793  -0.714   4.463
  398    HD2  ARG  55           HD2      ARG  55 -14.859  -1.893   5.257
  399    HD3  ARG  55           HD3      ARG  55 -14.559  -0.173   5.456
  400    HE   ARG  55           HE       ARG  55 -15.119  -2.195   7.575
  401   HH11  ARG  55          HH11      ARG  55 -14.111   1.173   6.923
  402   HH12  ARG  55          HH12      ARG  55 -13.793   1.429   8.633
  403   HH21  ARG  55          HH21      ARG  55 -14.587  -1.680   9.731
  404   HH22  ARG  55          HH22      ARG  55 -14.022  -0.052  10.081
  405    H    ILE  56           H        ILE  56 -19.187   0.523   8.294
  406    HA   ILE  56           HA       ILE  56 -20.545  -2.116   7.874
  407    HB   ILE  56           HB       ILE  56 -20.103  -2.470  10.283
  408   HG12  ILE  56          HG12      ILE  56 -18.050  -0.270  10.265
  409   HG13  ILE  56          HG13      ILE  56 -19.710   0.096  10.748
  410   HG21  ILE  56          HG21      ILE  56 -17.657  -1.954   8.541
  411   HG22  ILE  56          HG22      ILE  56 -17.746  -3.053   9.931
  412   HG23  ILE  56          HG23      ILE  56 -18.698  -3.395   8.480
  413   HD11  ILE  56          HD11      ILE  56 -17.917  -2.002  12.036
  414   HD12  ILE  56          HD12      ILE  56 -18.318  -0.403  12.692
  415   HD13  ILE  56          HD13      ILE  56 -19.587  -1.625  12.515
  416    H    MET  57           H        MET  57 -21.501   1.061   9.040
  417    HA   MET  57           HA       MET  57 -23.941  -0.172  10.258
  418    HB2  MET  57           HB2      MET  57 -22.868   2.663  10.554
  419    HB3  MET  57           HB3      MET  57 -24.296   1.996  11.339
  420    HG2  MET  57           HG2      MET  57 -22.819   0.209  12.366
  421    HG3  MET  57           HG3      MET  57 -21.427   1.124  11.769
  422    HE1  MET  57           HE1      MET  57 -21.603   0.332  14.728
  423    HE2  MET  57           HE2      MET  57 -20.320   1.382  14.082
  424    HE3  MET  57           HE3      MET  57 -21.191   1.848  15.555
  425    H    ASN  58           H        ASN  58 -23.034   1.596   7.415
  426    HA   ASN  58           HA       ASN  58 -25.372   3.075   6.966
  427    HB2  ASN  58           HB2      ASN  58 -23.256   3.371   5.773
  428    HB3  ASN  58           HB3      ASN  58 -23.474   1.819   4.949
  429   HD21  ASN  58          HD22      ASN  58 -24.926   5.105   5.328
  430   HD22  ASN  58          HD21      ASN  58 -25.685   5.094   3.748
  431    H    GLN  59           H        GLN  59 -24.759  -0.352   6.283
  432    HA   GLN  59           HA       GLN  59 -27.565  -0.971   5.801
  433    HB2  GLN  59           HB2      GLN  59 -26.852  -0.075   3.579
  434    HB3  GLN  59           HB3      GLN  59 -25.528  -1.238   3.535
  435    HG2  GLN  59           HG2      GLN  59 -27.168  -3.107   3.478
  436    HG3  GLN  59           HG3      GLN  59 -28.502  -1.944   3.600
  437   HE21  GLN  59          HE22      GLN  59 -25.747  -2.970   1.509
  438   HE22  GLN  59          HE21      GLN  59 -26.504  -2.406   0.015
  439    H    ALA  60           H        ALA  60 -27.962  -3.187   6.077
  440    HA   ALA  60           HA       ALA  60 -25.876  -4.835   7.267
  441    HB1  ALA  60           HB1      ALA  60 -28.172  -4.760   8.151
  442    HB2  ALA  60           HB2      ALA  60 -28.802  -5.402   6.612
  443    HB3  ALA  60           HB3      ALA  60 -27.741  -6.399   7.630
  444    H    SER  61           H        SER  61 -24.792  -4.359   4.971
  445    HA   SER  61           HA       SER  61 -25.484  -5.978   2.707
  446    HB2  SER  61           HB2      SER  61 -22.801  -4.779   3.485
  447    HB3  SER  61           HB3      SER  61 -23.278  -5.308   1.868
  448    HG   SER  61           HG       SER  61 -23.458  -2.998   2.323
  449    H    GLU  62           H        GLU  62 -23.904  -6.954   5.619
  450    HA   GLU  62           HA       GLU  62 -23.346  -9.652   4.626
  451    HB2  GLU  62           HB2      GLU  62 -21.282  -8.378   4.024
  452    HB3  GLU  62           HB3      GLU  62 -21.066  -7.955   5.725
  453    HG2  GLU  62           HG2      GLU  62 -20.842 -10.354   6.307
  454    HG3  GLU  62           HG3      GLU  62 -21.153 -10.802   4.626
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  12.738   7.585  -2.586
    2    H2   GLY   1           H2       GLY   1  11.776   8.873  -2.893
    3    H3   GLY   1           H3       GLY   1  13.162   9.070  -2.046
    4    HA2  GLY   1           HA2      GLY   1  12.327   7.757  -0.216
    5    HA3  GLY   1           HA3      GLY   1  11.289   9.156  -0.543
    6    HA   PRO   2           HA       PRO   2   8.863   5.073  -0.769
    7    HB2  PRO   2           HB2      PRO   2   7.677   4.931   1.676
    8    HB3  PRO   2           HB3      PRO   2   9.362   4.402   1.411
    9    HG2  PRO   2           HG2      PRO   2   8.408   7.099   2.458
   10    HG3  PRO   2           HG3      PRO   2   9.633   6.003   3.182
   11    HD2  PRO   2           HD2      PRO   2  10.329   8.095   1.573
   12    HD3  PRO   2           HD3      PRO   2  11.232   6.548   1.537
   13    H    HIS   3           H        HIS   3   6.533   4.834  -0.909
   14    HA   HIS   3           HA       HIS   3   5.118   7.126  -1.831
   15    HB2  HIS   3           HB2      HIS   3   4.048   4.430  -0.889
   16    HB3  HIS   3           HB3      HIS   3   3.171   5.601  -1.861
   17    HD1  HIS   3           HD1      HIS   3   4.394   6.085  -4.405
   18    HD2  HIS   3           HD2      HIS   3   5.394   2.628  -2.224
   19    HE1  HIS   3           HE1      HIS   3   5.457   4.480  -6.068
   20    H    MET   4           H        MET   4   5.472   5.926   1.431
   21    HA   MET   4           HA       MET   4   3.152   7.090   2.622
   22    HB2  MET   4           HB2      MET   4   5.878   6.500   3.829
   23    HB3  MET   4           HB3      MET   4   4.433   6.915   4.744
   24    HG2  MET   4           HG2      MET   4   4.887   4.438   3.047
   25    HG3  MET   4           HG3      MET   4   4.720   4.520   4.788
   26    HE1  MET   4           HE1      MET   4   2.441   5.085   6.053
   27    HE2  MET   4           HE2      MET   4   2.138   6.539   5.074
   28    HE3  MET   4           HE3      MET   4   0.879   5.308   5.237
   29    H    SER   5           H        SER   5   6.093   8.645   1.501
   30    HA   SER   5           HA       SER   5   5.759  11.128   2.973
   31    HB2  SER   5           HB2      SER   5   7.116  10.580   0.306
   32    HB3  SER   5           HB3      SER   5   7.282  12.046   1.281
   33    HG   SER   5           HG       SER   5   9.011  10.643   1.680
   34    H    TYR   6           H        TYR   6   4.084   9.775   0.199
   35    HA   TYR   6           HA       TYR   6   2.768  12.399  -0.398
   36    HB2  TYR   6           HB2      TYR   6   3.814  11.217  -2.306
   37    HB3  TYR   6           HB3      TYR   6   2.828   9.798  -1.969
   38    HD1  TYR   6           HD2      TYR   6   2.695  13.407  -2.944
   39    HD2  TYR   6           HD1      TYR   6   0.555   9.664  -2.775
   40    HE1  TYR   6           HE2      TYR   6   0.866  14.400  -4.302
   41    HE2  TYR   6           HE1      TYR   6  -1.284  10.653  -4.133
   42    HH   TYR   6           HH       TYR   6  -1.158  14.036  -5.322
   43    H    ASP   7           H        ASP   7   2.168   9.108   0.771
   44    HA   ASP   7           HA       ASP   7  -0.532   8.827   0.498
   45    HB2  ASP   7           HB2      ASP   7   1.046   7.142   1.411
   46    HB3  ASP   7           HB3      ASP   7   1.082   8.024   2.940
   47    H    ALA   8           H        ALA   8   0.986  10.811   3.004
   48    HA   ALA   8           HA       ALA   8  -1.215  11.390   4.672
   49    HB1  ALA   8           HB1      ALA   8   1.143  11.997   5.136
   50    HB2  ALA   8           HB2      ALA   8   1.106  13.187   3.812
   51    HB3  ALA   8           HB3      ALA   8   0.090  13.418   5.243
   52    H    ASN   9           H        ASN   9  -0.578  12.609   1.417
   53    HA   ASN   9           HA       ASN   9  -2.621  14.706   1.533
   54    HB2  ASN   9           HB2      ASN   9  -0.509  14.844   0.180
   55    HB3  ASN   9           HB3      ASN   9  -1.097  13.521  -0.824
   56   HD21  ASN   9          HD22      ASN   9  -2.116  14.172  -2.702
   57   HD22  ASN   9          HD21      ASN   9  -2.911  15.721  -2.904
   58    H    VAL  10           H        VAL  10  -2.709  11.284   1.038
   59    HA   VAL  10           HA       VAL  10  -4.950  11.318  -0.902
   60    HB   VAL  10           HB       VAL  10  -3.574   8.938   0.418
   61   HG11  VAL  10          HG11      VAL  10  -4.628   7.638  -1.418
   62   HG12  VAL  10          HG12      VAL  10  -5.842   8.379  -0.372
   63   HG13  VAL  10          HG13      VAL  10  -5.483   9.104  -1.952
   64   HG21  VAL  10          HG21      VAL  10  -1.971  10.153  -1.002
   65   HG22  VAL  10          HG22      VAL  10  -2.451   8.645  -1.785
   66   HG23  VAL  10          HG23      VAL  10  -3.147  10.185  -2.333
   67    H    ILE  11           H        ILE  11  -7.025  11.309  -0.273
   68    HA   ILE  11           HA       ILE  11  -7.879  10.314   2.384
   69    HB   ILE  11           HB       ILE  11  -7.078  12.937   2.062
   70   HG12  ILE  11          HG12      ILE  11  -8.417  13.473   4.096
   71   HG13  ILE  11          HG13      ILE  11  -9.208  11.911   3.963
   72   HG21  ILE  11          HG21      ILE  11  -8.934  13.416   0.470
   73   HG22  ILE  11          HG22      ILE  11 -10.097  13.094   1.782
   74   HG23  ILE  11          HG23      ILE  11  -8.950  14.426   1.914
   75   HD11  ILE  11          HD11      ILE  11  -7.010  10.776   4.297
   76   HD12  ILE  11          HD12      ILE  11  -6.197  12.361   4.275
   77   HD13  ILE  11          HD13      ILE  11  -7.304  11.937   5.587
   78    H    ASP  12           H        ASP  12 -10.150  10.192   2.710
   79    HA   ASP  12           HA       ASP  12 -11.739   9.758   0.239
   80    HB2  ASP  12           HB2      ASP  12 -12.109   9.076   3.161
   81    HB3  ASP  12           HB3      ASP  12 -13.471   9.101   2.042
   82    H    ASP  13           H        ASP  13 -12.251  11.725  -0.600
   83    HA   ASP  13           HA       ASP  13 -12.643  14.110   0.826
   84    HB2  ASP  13           HB2      ASP  13 -12.118  13.944  -1.575
   85    HB3  ASP  13           HB3      ASP  13 -13.727  13.290  -1.901
   86    H    GLU  14           H        GLU  14 -15.062  11.706  -0.175
   87    HA   GLU  14           HA       GLU  14 -17.410  13.066   0.767
   88    HB2  GLU  14           HB2      GLU  14 -17.420  11.145  -0.772
   89    HB3  GLU  14           HB3      GLU  14 -16.805  10.098   0.511
   90    HG2  GLU  14           HG2      GLU  14 -18.877  10.401   1.795
   91    HG3  GLU  14           HG3      GLU  14 -19.450  11.611   0.637
   92    H    ALA  15           H        ALA  15 -15.090  10.856   2.433
   93    HA   ALA  15           HA       ALA  15 -16.497  10.876   4.953
   94    HB1  ALA  15           HB1      ALA  15 -14.792   9.162   4.367
   95    HB2  ALA  15           HB2      ALA  15 -13.525  10.414   4.414
   96    HB3  ALA  15           HB3      ALA  15 -14.414  10.009   5.885
   97    H    VAL  16           H        VAL  16 -13.739  12.873   3.733
   98    HA   VAL  16           HA       VAL  16 -13.503  14.506   6.053
   99    HB   VAL  16           HB       VAL  16 -12.920  15.178   3.138
  100   HG11  VAL  16          HG11      VAL  16 -11.501  17.042   4.009
  101   HG12  VAL  16          HG12      VAL  16 -13.214  17.332   4.288
  102   HG13  VAL  16          HG13      VAL  16 -12.183  16.788   5.626
  103   HG21  VAL  16          HG21      VAL  16 -11.522  13.386   4.107
  104   HG22  VAL  16          HG22      VAL  16 -10.567  14.847   3.853
  105   HG23  VAL  16          HG23      VAL  16 -11.116  14.424   5.486
  106    H    LYS  17           H        LYS  17 -15.637  15.016   3.169
  107    HA   LYS  17           HA       LYS  17 -16.952  17.370   4.094
  108    HB2  LYS  17           HB2      LYS  17 -17.124  16.493   1.795
  109    HB3  LYS  17           HB3      LYS  17 -17.980  15.060   2.381
  110    HG2  LYS  17           HG2      LYS  17 -19.818  16.516   3.234
  111    HG3  LYS  17           HG3      LYS  17 -18.971  17.941   2.599
  112    HD2  LYS  17           HD2      LYS  17 -19.148  17.005   0.316
  113    HD3  LYS  17           HD3      LYS  17 -19.984  15.576   0.941
  114    HE2  LYS  17           HE2      LYS  17 -20.987  18.452   1.223
  115    HE3  LYS  17           HE3      LYS  17 -21.487  17.341  -0.057
  116    HZ1  LYS  17           HZ1      LYS  17 -23.089  17.338   1.733
  117    HZ2  LYS  17           HZ2      LYS  17 -22.389  15.867   1.659
  118    HZ3  LYS  17           HZ3      LYS  17 -21.984  16.919   2.858
  119    H    GLU  18           H        GLU  18 -17.849  13.888   4.644
  120    HA   GLU  18           HA       GLU  18 -20.048  14.516   6.348
  121    HB2  GLU  18           HB2      GLU  18 -18.362  12.005   6.123
  122    HB3  GLU  18           HB3      GLU  18 -19.691  12.187   7.282
  123    HG2  GLU  18           HG2      GLU  18 -21.215  12.823   5.377
  124    HG3  GLU  18           HG3      GLU  18 -19.926  12.392   4.257
  125    H    VAL  19           H        VAL  19 -16.582  13.930   7.330
  126    HA   VAL  19           HA       VAL  19 -17.052  14.298  10.109
  127    HB   VAL  19           HB       VAL  19 -14.581  15.284   8.660
  128   HG11  VAL  19          HG11      VAL  19 -14.708  16.123  10.992
  129   HG12  VAL  19          HG12      VAL  19 -15.075  14.497  11.574
  130   HG13  VAL  19          HG13      VAL  19 -13.479  14.862  10.888
  131   HG21  VAL  19          HG21      VAL  19 -14.934  12.835   8.233
  132   HG22  VAL  19          HG22      VAL  19 -13.517  13.180   9.206
  133   HG23  VAL  19          HG23      VAL  19 -14.997  12.570   9.979
  134    H    CYS  20           H        CYS  20 -16.463  16.831   7.627
  135    HA   CYS  20           HA       CYS  20 -16.468  19.105   9.308
  136    HB2  CYS  20           HB2      CYS  20 -15.802  19.320   7.048
  137    HB3  CYS  20           HB3      CYS  20 -17.293  18.611   6.420
  138    HG   CYS  20           HG       CYS  20 -17.094  21.424   8.151
  139    H    GLU  21           H        GLU  21 -19.375  17.588   7.761
  140    HA   GLU  21           HA       GLU  21 -21.094  19.466   9.206
  141    HB2  GLU  21           HB2      GLU  21 -22.914  18.543   7.946
  142    HB3  GLU  21           HB3      GLU  21 -21.553  18.930   6.903
  143    HG2  GLU  21           HG2      GLU  21 -20.937  16.490   6.885
  144    HG3  GLU  21           HG3      GLU  21 -22.397  16.147   7.813
  145    H    LYS  22           H        LYS  22 -20.322  15.995   9.612
  146    HA   LYS  22           HA       LYS  22 -22.448  15.475  11.523
  147    HB2  LYS  22           HB2      LYS  22 -21.430  13.782  10.003
  148    HB3  LYS  22           HB3      LYS  22 -19.886  14.002  10.800
  149    HG2  LYS  22           HG2      LYS  22 -20.863  11.946  11.517
  150    HG3  LYS  22           HG3      LYS  22 -20.721  13.050  12.878
  151    HD2  LYS  22           HD2      LYS  22 -22.787  11.731  12.914
  152    HD3  LYS  22           HD3      LYS  22 -23.127  13.472  12.848
  153    HE2  LYS  22           HE2      LYS  22 -23.562  13.283  10.395
  154    HE3  LYS  22           HE3      LYS  22 -23.178  11.556  10.461
  155    HZ1  LYS  22           HZ1      LYS  22 -25.571  11.947  10.547
  156    HZ2  LYS  22           HZ2      LYS  22 -25.085  11.259  11.950
  157    HZ3  LYS  22           HZ3      LYS  22 -25.433  12.860  11.894
  158    H    PHE  23           H        PHE  23 -18.906  15.974  11.835
  159    HA   PHE  23           HA       PHE  23 -19.066  15.929  14.771
  160    HB2  PHE  23           HB2      PHE  23 -17.299  14.820  13.213
  161    HB3  PHE  23           HB3      PHE  23 -16.590  16.426  13.106
  162    HD1  PHE  23           HD2      PHE  23 -17.721  13.813  15.551
  163    HD2  PHE  23           HD1      PHE  23 -15.093  17.154  14.814
  164    HE1  PHE  23           HE2      PHE  23 -16.533  13.344  17.677
  165    HE2  PHE  23           HE1      PHE  23 -13.883  16.662  16.923
  166    HZ   PHE  23           HZ       PHE  23 -14.603  14.759  18.363
  167    H    GLU  24           H        GLU  24 -19.195  18.369  12.369
  168    HA   GLU  24           HA       GLU  24 -19.478  20.589  12.445
  169    HB2  GLU  24           HB2      GLU  24 -19.486  20.408  15.486
  170    HB3  GLU  24           HB3      GLU  24 -19.935  21.797  14.500
  171    HG2  GLU  24           HG2      GLU  24 -21.745  20.458  13.435
  172    HG3  GLU  24           HG3      GLU  24 -21.339  19.091  14.482
  173    H    CYS  25           H        CYS  25 -17.399  20.428  11.430
  174    HA   CYS  25           HA       CYS  25 -15.455  22.258  12.639
  175    HB2  CYS  25           HB2      CYS  25 -14.885  19.805  13.334
  176    HB3  CYS  25           HB3      CYS  25 -14.399  19.586  11.641
  177    HG   CYS  25           HG       CYS  25 -13.339  21.790  13.903
  178    H    THR  26           H        THR  26 -13.440  22.220  10.814
  179    HA   THR  26           HA       THR  26 -14.777  22.805   8.195
  180    HB   THR  26           HB       THR  26 -12.851  24.204   7.670
  181    HG1  THR  26           HG1      THR  26 -11.328  24.610   9.254
  182   HG21  THR  26          HG21      THR  26 -13.297  26.060   9.170
  183   HG22  THR  26          HG22      THR  26 -14.820  25.225   8.812
  184   HG23  THR  26          HG23      THR  26 -14.020  24.976  10.378
  185    H    GLU  27           H        GLU  27 -13.943  22.039   6.292
  186    HA   GLU  27           HA       GLU  27 -12.768  19.471   6.237
  187    HB2  GLU  27           HB2      GLU  27 -12.560  21.557   4.020
  188    HB3  GLU  27           HB3      GLU  27 -12.469  19.806   3.878
  189    HG2  GLU  27           HG2      GLU  27 -14.605  20.018   3.217
  190    HG3  GLU  27           HG3      GLU  27 -14.949  19.955   4.939
  191    H    SER  28           H        SER  28 -11.223  22.707   6.112
  192    HA   SER  28           HA       SER  28  -8.562  21.826   5.534
  193    HB2  SER  28           HB2      SER  28  -7.956  24.084   6.447
  194    HB3  SER  28           HB3      SER  28  -9.171  24.104   5.164
  195    HG   SER  28           HG       SER  28  -9.744  25.473   6.912
  196    H    GLU  29           H        GLU  29 -10.244  22.300   8.709
  197    HA   GLU  29           HA       GLU  29  -7.811  21.564  10.169
  198    HB2  GLU  29           HB2      GLU  29 -10.678  22.044  11.017
  199    HB3  GLU  29           HB3      GLU  29  -9.449  21.466  12.137
  200    HG2  GLU  29           HG2      GLU  29  -9.067  24.015  10.520
  201    HG3  GLU  29           HG3      GLU  29  -9.826  23.976  12.111
  202    H    VAL  30           H        VAL  30 -10.764  19.836   9.111
  203    HA   VAL  30           HA       VAL  30 -10.129  17.333  10.373
  204    HB   VAL  30           HB       VAL  30 -11.608  17.941   7.790
  205   HG11  VAL  30          HG11      VAL  30 -10.754  15.618   7.636
  206   HG12  VAL  30          HG12      VAL  30 -11.389  15.265   9.256
  207   HG13  VAL  30          HG13      VAL  30 -12.493  15.631   7.912
  208   HG21  VAL  30          HG21      VAL  30 -12.671  18.732   9.934
  209   HG22  VAL  30          HG22      VAL  30 -13.601  17.457   9.154
  210   HG23  VAL  30          HG23      VAL  30 -12.572  17.096  10.564
  211    H    MET  31           H        MET  31  -9.139  18.638   7.131
  212    HA   MET  31           HA       MET  31  -7.338  16.517   6.464
  213    HB2  MET  31           HB2      MET  31  -7.461  19.466   5.715
  214    HB3  MET  31           HB3      MET  31  -6.173  18.420   5.136
  215    HG2  MET  31           HG2      MET  31  -9.141  17.992   4.664
  216    HG3  MET  31           HG3      MET  31  -7.988  18.610   3.496
  217    HE1  MET  31           HE1      MET  31  -5.401  16.597   3.958
  218    HE2  MET  31           HE2      MET  31  -5.796  15.436   2.679
  219    HE3  MET  31           HE3      MET  31  -6.030  17.173   2.397
  220    H    ASN  32           H        ASN  32  -6.696  19.523   8.352
  221    HA   ASN  32           HA       ASN  32  -3.986  19.498   8.420
  222    HB2  ASN  32           HB2      ASN  32  -5.521  21.180   9.414
  223    HB3  ASN  32           HB3      ASN  32  -5.784  20.125  10.799
  224   HD21  ASN  32          HD22      ASN  32  -5.002  22.582  11.392
  225   HD22  ASN  32          HD21      ASN  32  -3.296  22.612  11.845
  226    H    SER  33           H        SER  33  -5.828  17.812  11.096
  227    HA   SER  33           HA       SER  33  -3.544  16.571  12.221
  228    HB2  SER  33           HB2      SER  33  -6.357  15.425  12.215
  229    HB3  SER  33           HB3      SER  33  -5.053  15.112  13.376
  230    HG   SER  33           HG       SER  33  -6.575  16.684  14.155
  231    H    LEU  34           H        LEU  34  -5.494  15.518   9.450
  232    HA   LEU  34           HA       LEU  34  -4.426  12.788   9.428
  233    HB2  LEU  34           HB2      LEU  34  -6.158  14.378   7.483
  234    HB3  LEU  34           HB3      LEU  34  -5.768  12.674   7.296
  235    HG   LEU  34           HG       LEU  34  -7.265  13.790   9.711
  236   HD11  LEU  34          HD11      LEU  34  -8.504  14.094   7.505
  237   HD12  LEU  34          HD12      LEU  34  -8.526  12.325   7.370
  238   HD13  LEU  34          HD13      LEU  34  -9.319  13.118   8.737
  239   HD21  LEU  34          HD21      LEU  34  -6.871  10.941   8.679
  240   HD22  LEU  34          HD22      LEU  34  -6.196  11.630  10.175
  241   HD23  LEU  34          HD23      LEU  34  -7.941  11.400  10.015
  242    H    TYR  35           H        TYR  35  -3.565  15.899   8.018
  243    HA   TYR  35           HA       TYR  35  -1.648  14.701   6.110
  244    HB2  TYR  35           HB2      TYR  35  -2.994  16.737   5.580
  245    HB3  TYR  35           HB3      TYR  35  -2.182  17.600   6.877
  246    HD1  TYR  35           HD2      TYR  35  -1.715  15.914   3.587
  247    HD2  TYR  35           HD1      TYR  35   0.042  18.523   6.538
  248    HE1  TYR  35           HE2      TYR  35   0.102  16.487   1.987
  249    HE2  TYR  35           HE1      TYR  35   1.854  19.111   4.939
  250    HH   TYR  35           HH       TYR  35   2.012  17.724   1.637
  251    H    SER  36           H        SER  36  -1.711  16.296   9.247
  252    HA   SER  36           HA       SER  36   1.155  16.338   9.754
  253    HB2  SER  36           HB2      SER  36  -1.163  16.221  11.732
  254    HB3  SER  36           HB3      SER  36   0.506  16.680  12.085
  255    HG   SER  36           HG       SER  36  -1.400  18.085  10.486
  256    H    GLY  37           H        GLY  37  -1.425  13.942  10.257
  257    HA2  GLY  37           HA2      GLY  37  -1.085  11.636   9.914
  258    HA3  GLY  37           HA3      GLY  37   0.646  11.799  10.296
  259    H    ASP  38           H        ASP  38  -1.960  13.106  12.326
  260    HA   ASP  38           HA       ASP  38  -1.191  11.190  14.497
  261    HB2  ASP  38           HB2      ASP  38  -0.814  13.554  14.987
  262    HB3  ASP  38           HB3      ASP  38  -2.518  13.908  14.693
  263    HA   PRO  39           HA       PRO  39  -5.395   9.715  13.470
  264    HB2  PRO  39           HB2      PRO  39  -5.203   7.160  14.342
  265    HB3  PRO  39           HB3      PRO  39  -4.373   7.720  12.862
  266    HG2  PRO  39           HG2      PRO  39  -3.219   7.457  15.662
  267    HG3  PRO  39           HG3      PRO  39  -2.542   6.824  14.128
  268    HD2  PRO  39           HD2      PRO  39  -1.741   9.206  15.210
  269    HD3  PRO  39           HD3      PRO  39  -1.843   8.959  13.441
  270    H    GLN  40           H        GLN  40  -3.975  10.381  16.531
  271    HA   GLN  40           HA       GLN  40  -6.267   9.307  18.111
  272    HB2  GLN  40           HB2      GLN  40  -3.602  10.497  19.012
  273    HB3  GLN  40           HB3      GLN  40  -4.821   9.771  20.051
  274    HG2  GLN  40           HG2      GLN  40  -3.151   8.324  17.947
  275    HG3  GLN  40           HG3      GLN  40  -2.970   8.235  19.694
  276   HE21  GLN  40          HE22      GLN  40  -5.078   7.454  20.923
  277   HE22  GLN  40          HE21      GLN  40  -5.922   6.134  20.131
  278    H    ASP  41           H        ASP  41  -5.336  12.198  16.626
  279    HA   ASP  41           HA       ASP  41  -6.438  14.137  18.466
  280    HB2  ASP  41           HB2      ASP  41  -4.895  14.825  16.717
  281    HB3  ASP  41           HB3      ASP  41  -5.947  14.150  15.466
  282    H    GLN  42           H        GLN  42  -8.500  15.015  18.557
  283    HA   GLN  42           HA       GLN  42 -10.704  13.373  18.258
  284    HB2  GLN  42           HB2      GLN  42 -12.065  15.356  18.622
  285    HB3  GLN  42           HB3      GLN  42 -10.646  15.350  19.671
  286    HG2  GLN  42           HG2      GLN  42  -9.577  16.980  17.971
  287    HG3  GLN  42           HG3      GLN  42 -11.184  17.105  17.247
  288   HE21  GLN  42          HE22      GLN  42 -13.026  17.731  18.896
  289   HE22  GLN  42          HE21      GLN  42 -12.552  18.903  20.112
  290    H    LEU  43           H        LEU  43  -9.507  15.621  15.710
  291    HA   LEU  43           HA       LEU  43 -11.910  15.203  14.071
  292    HB2  LEU  43           HB2      LEU  43  -9.212  16.438  13.407
  293    HB3  LEU  43           HB3      LEU  43 -10.685  16.555  12.441
  294    HG   LEU  43           HG       LEU  43 -10.233  17.760  15.201
  295   HD11  LEU  43          HD11      LEU  43 -10.322  19.910  14.037
  296   HD12  LEU  43          HD12      LEU  43  -9.023  18.900  13.392
  297   HD13  LEU  43          HD13      LEU  43 -10.543  19.079  12.483
  298   HD21  LEU  43          HD21      LEU  43 -12.676  17.935  13.374
  299   HD22  LEU  43          HD22      LEU  43 -12.602  17.132  14.957
  300   HD23  LEU  43          HD23      LEU  43 -12.426  18.882  14.861
  301    H    ALA  44           H        ALA  44  -8.680  13.765  14.275
  302    HA   ALA  44           HA       ALA  44  -9.038  12.124  11.875
  303    HB1  ALA  44           HB1      ALA  44  -7.060  11.885  14.189
  304    HB2  ALA  44           HB2      ALA  44  -6.967  11.059  12.618
  305    HB3  ALA  44           HB3      ALA  44  -6.796  12.821  12.701
  306    H    VAL  45           H        VAL  45  -9.458  11.657  15.389
  307    HA   VAL  45           HA       VAL  45 -10.386   8.951  15.312
  308    HB   VAL  45           HB       VAL  45 -10.937  11.247  17.220
  309   HG11  VAL  45          HG11      VAL  45 -11.885   8.360  17.475
  310   HG12  VAL  45          HG12      VAL  45 -11.827   9.524  18.816
  311   HG13  VAL  45          HG13      VAL  45 -12.893   9.830  17.450
  312   HG21  VAL  45          HG21      VAL  45  -9.467   9.974  18.721
  313   HG22  VAL  45          HG22      VAL  45  -9.306   8.685  17.510
  314   HG23  VAL  45          HG23      VAL  45  -8.639  10.295  17.192
  315    H    ALA  46           H        ALA  46 -12.264  12.063  15.058
  316    HA   ALA  46           HA       ALA  46 -14.781  10.928  14.464
  317    HB1  ALA  46           HB1      ALA  46 -14.330  13.312  14.977
  318    HB2  ALA  46           HB2      ALA  46 -13.564  13.507  13.389
  319    HB3  ALA  46           HB3      ALA  46 -15.287  13.103  13.501
  320    H    TYR  47           H        TYR  47 -12.175  11.826  12.102
  321    HA   TYR  47           HA       TYR  47 -13.437  10.888   9.762
  322    HB2  TYR  47           HB2      TYR  47 -11.403  12.237   9.815
  323    HB3  TYR  47           HB3      TYR  47 -10.508  10.927  10.545
  324    HD1  TYR  47           HD1      TYR  47 -12.196  12.030   7.409
  325    HD2  TYR  47           HD2      TYR  47  -9.491   9.214   9.248
  326    HE1  TYR  47           HE1      TYR  47 -11.425  11.286   5.156
  327    HE2  TYR  47           HE2      TYR  47  -8.718   8.480   7.011
  328    HH   TYR  47           HH       TYR  47  -8.974   8.702   4.750
  329    H    HIS  48           H        HIS  48 -11.398   8.924  11.997
  330    HA   HIS  48           HA       HIS  48 -11.752   6.457  10.535
  331    HB2  HIS  48           HB2      HIS  48 -11.058   7.072  13.437
  332    HB3  HIS  48           HB3      HIS  48 -11.195   5.428  12.814
  333    HD1  HIS  48           HD1      HIS  48  -8.897   8.474  12.496
  334    HD2  HIS  48           HD2      HIS  48  -9.291   4.500  11.190
  335    HE1  HIS  48           HE1      HIS  48  -6.657   7.843  11.442
  336    H    LEU  49           H        LEU  49 -13.648   7.742  13.336
  337    HA   LEU  49           HA       LEU  49 -15.468   5.526  13.500
  338    HB2  LEU  49           HB2      LEU  49 -15.671   8.455  14.336
  339    HB3  LEU  49           HB3      LEU  49 -16.873   7.251  14.773
  340    HG   LEU  49           HG       LEU  49 -13.939   7.010  15.570
  341   HD11  LEU  49          HD11      LEU  49 -14.933   9.063  16.536
  342   HD12  LEU  49          HD12      LEU  49 -16.287   8.110  17.181
  343   HD13  LEU  49          HD13      LEU  49 -14.636   7.844  17.779
  344   HD21  LEU  49          HD21      LEU  49 -16.447   5.599  16.574
  345   HD22  LEU  49          HD22      LEU  49 -15.149   4.867  15.606
  346   HD23  LEU  49          HD23      LEU  49 -14.814   5.424  17.251
  347    H    ILE  50           H        ILE  50 -15.660   8.581  11.684
  348    HA   ILE  50           HA       ILE  50 -18.342   8.054  10.663
  349    HB   ILE  50           HB       ILE  50 -16.204  10.117  10.043
  350   HG12  ILE  50          HG12      ILE  50 -18.993  10.287  11.304
  351   HG13  ILE  50          HG13      ILE  50 -17.524  10.103  12.247
  352   HG21  ILE  50          HG21      ILE  50 -17.832  11.316   8.649
  353   HG22  ILE  50          HG22      ILE  50 -17.437   9.764   7.935
  354   HG23  ILE  50          HG23      ILE  50 -18.981   9.970   8.795
  355   HD11  ILE  50          HD11      ILE  50 -18.189  12.488  10.504
  356   HD12  ILE  50          HD12      ILE  50 -18.227  12.410  12.273
  357   HD13  ILE  50          HD13      ILE  50 -16.680  12.267  11.432
  358    H    ILE  51           H        ILE  51 -15.072   7.342   9.380
  359    HA   ILE  51           HA       ILE  51 -16.104   6.251   6.875
  360    HB   ILE  51           HB       ILE  51 -13.485   5.962   8.370
  361   HG12  ILE  51          HG12      ILE  51 -14.310   7.052   5.637
  362   HG13  ILE  51          HG13      ILE  51 -14.061   8.026   7.082
  363   HG21  ILE  51          HG21      ILE  51 -12.617   4.576   6.499
  364   HG22  ILE  51          HG22      ILE  51 -13.874   3.732   7.365
  365   HG23  ILE  51          HG23      ILE  51 -14.249   4.489   5.799
  366   HD11  ILE  51          HD11      ILE  51 -12.156   8.220   5.629
  367   HD12  ILE  51          HD12      ILE  51 -11.661   7.360   7.106
  368   HD13  ILE  51          HD13      ILE  51 -11.918   6.479   5.575
  369    H    ASP  52           H        ASP  52 -15.551   4.772  10.109
  370    HA   ASP  52           HA       ASP  52 -16.369   2.150   9.379
  371    HB2  ASP  52           HB2      ASP  52 -15.321   3.099  11.588
  372    HB3  ASP  52           HB3      ASP  52 -16.995   3.376  12.074
  373    H    ASN  53           H        ASN  53 -18.349   4.918  10.577
  374    HA   ASN  53           HA       ASN  53 -20.878   3.630  10.357
  375    HB2  ASN  53           HB2      ASN  53 -20.543   5.728  11.597
  376    HB3  ASN  53           HB3      ASN  53 -20.164   6.582  10.103
  377   HD21  ASN  53          HD22      ASN  53 -22.822   4.444  11.427
  378   HD22  ASN  53          HD21      ASN  53 -24.091   5.434  10.743
  379    H    ARG  54           H        ARG  54 -19.125   5.641   7.938
  380    HA   ARG  54           HA       ARG  54 -20.990   5.517   5.836
  381    HB2  ARG  54           HB2      ARG  54 -19.143   7.078   5.982
  382    HB3  ARG  54           HB3      ARG  54 -17.972   5.764   5.873
  383    HG2  ARG  54           HG2      ARG  54 -18.605   5.324   3.549
  384    HG3  ARG  54           HG3      ARG  54 -19.838   6.611   3.625
  385    HD2  ARG  54           HD2      ARG  54 -18.114   8.297   4.019
  386    HD3  ARG  54           HD3      ARG  54 -16.877   7.054   4.212
  387    HE   ARG  54           HE       ARG  54 -18.322   7.706   1.644
  388   HH11  ARG  54          HH11      ARG  54 -15.305   6.470   3.109
  389   HH12  ARG  54          HH12      ARG  54 -14.468   6.625   1.583
  390   HH21  ARG  54          HH21      ARG  54 -17.288   7.680  -0.156
  391   HH22  ARG  54          HH22      ARG  54 -15.608   7.157  -0.297
  392    H    ARG  55           H        ARG  55 -18.346   3.233   6.584
  393    HA   ARG  55           HA       ARG  55 -18.893   1.669   4.164
  394    HB2  ARG  55           HB2      ARG  55 -16.614   2.269   4.792
  395    HB3  ARG  55           HB3      ARG  55 -16.789   1.474   6.356
  396    HG2  ARG  55           HG2      ARG  55 -15.464   0.123   4.832
  397    HG3  ARG  55           HG3      ARG  55 -16.943  -0.711   5.294
  398    HD2  ARG  55           HD2      ARG  55 -17.954   0.039   3.056
  399    HD3  ARG  55           HD3      ARG  55 -16.363   0.682   2.644
  400    HE   ARG  55           HE       ARG  55 -15.571  -1.460   2.295
  401   HH11  ARG  55          HH11      ARG  55 -18.745  -1.802   3.896
  402   HH12  ARG  55          HH12      ARG  55 -18.796  -3.510   3.566
  403   HH21  ARG  55          HH21      ARG  55 -15.731  -3.655   1.938
  404   HH22  ARG  55          HH22      ARG  55 -17.125  -4.534   2.483
  405    H    ILE  56           H        ILE  56 -19.186   1.137   7.683
  406    HA   ILE  56           HA       ILE  56 -20.252  -1.642   7.191
  407    HB   ILE  56           HB       ILE  56 -18.822  -0.469   9.625
  408   HG12  ILE  56          HG12      ILE  56 -17.835  -2.296   7.381
  409   HG13  ILE  56          HG13      ILE  56 -17.297  -0.654   7.722
  410   HG21  ILE  56          HG21      ILE  56 -20.337  -2.277  10.315
  411   HG22  ILE  56          HG22      ILE  56 -19.664  -3.342   9.055
  412   HG23  ILE  56          HG23      ILE  56 -18.686  -2.803  10.438
  413   HD11  ILE  56          HD11      ILE  56 -16.713  -3.116   9.374
  414   HD12  ILE  56          HD12      ILE  56 -15.588  -2.081   8.484
  415   HD13  ILE  56          HD13      ILE  56 -16.400  -1.454   9.934
  416    H    MET  57           H        MET  57 -21.133   1.442   8.485
  417    HA   MET  57           HA       MET  57 -23.178   2.250   9.148
  418    HB2  MET  57           HB2      MET  57 -24.309   0.086   8.441
  419    HB3  MET  57           HB3      MET  57 -24.120  -0.450  10.124
  420    HG2  MET  57           HG2      MET  57 -25.390   1.532  10.882
  421    HG3  MET  57           HG3      MET  57 -25.561   2.078   9.215
  422    HE1  MET  57           HE1      MET  57 -28.083  -0.459   7.675
  423    HE2  MET  57           HE2      MET  57 -27.116   1.010   7.440
  424    HE3  MET  57           HE3      MET  57 -26.318  -0.577   7.561
  425    H    ASN  58           H        ASN  58 -21.100   0.201  10.963
  426    HA   ASN  58           HA       ASN  58 -19.991   0.428  12.865
  427    HB2  ASN  58           HB2      ASN  58 -19.780   2.799  12.406
  428    HB3  ASN  58           HB3      ASN  58 -21.331   3.147  13.176
  429   HD21  ASN  58          HD22      ASN  58 -18.132   1.653  13.880
  430   HD22  ASN  58          HD21      ASN  58 -18.097   2.196  15.561
  431    H    GLN  59           H        GLN  59 -23.380   1.473  13.400
  432    HA   GLN  59           HA       GLN  59 -23.740  -0.512  15.586
  433    HB2  GLN  59           HB2      GLN  59 -24.032   2.523  15.810
  434    HB3  GLN  59           HB3      GLN  59 -24.941   1.434  16.857
  435    HG2  GLN  59           HG2      GLN  59 -22.928   0.501  17.817
  436    HG3  GLN  59           HG3      GLN  59 -21.908   1.369  16.680
  437   HE21  GLN  59          HE22      GLN  59 -21.399   3.580  17.048
  438   HE22  GLN  59          HE21      GLN  59 -21.908   4.406  18.520
  439    H    ALA  60           H        ALA  60 -26.011  -0.807  16.120
  440    HA   ALA  60           HA       ALA  60 -28.188  -1.138  15.750
  441    HB1  ALA  60           HB1      ALA  60 -28.178   1.367  15.850
  442    HB2  ALA  60           HB2      ALA  60 -28.137   1.403  14.071
  443    HB3  ALA  60           HB3      ALA  60 -29.523   0.693  14.917
  444    H    SER  61           H        SER  61 -26.141  -1.945  13.447
  445    HA   SER  61           HA       SER  61 -27.863  -2.385  11.147
  446    HB2  SER  61           HB2      SER  61 -25.912  -3.810  10.402
  447    HB3  SER  61           HB3      SER  61 -25.540  -2.122  10.759
  448    HG   SER  61           HG       SER  61 -24.019  -3.656  11.653
  449    H    GLU  62           H        GLU  62 -27.603  -4.059  14.119
  450    HA   GLU  62           HA       GLU  62 -29.466  -6.141  13.382
  451    HB2  GLU  62           HB2      GLU  62 -28.083  -8.074  13.868
  452    HB3  GLU  62           HB3      GLU  62 -27.478  -7.212  12.467
  453    HG2  GLU  62           HG2      GLU  62 -25.671  -6.201  13.849
  454    HG3  GLU  62           HG3      GLU  62 -26.295  -7.034  15.277
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  10.152  11.788  -9.255
    2    H2   GLY   1           H2       GLY   1  10.131  10.749 -10.521
    3    H3   GLY   1           H3       GLY   1   9.597  12.284 -10.714
    4    HA2  GLY   1           HA2      GLY   1   7.738  11.919  -9.242
    5    HA3  GLY   1           HA3      GLY   1   7.724  10.783 -10.602
    6    HA   PRO   2           HA       PRO   2   7.597   8.457  -6.489
    7    HB2  PRO   2           HB2      PRO   2   5.014   7.618  -6.419
    8    HB3  PRO   2           HB3      PRO   2   5.490   9.266  -5.905
    9    HG2  PRO   2           HG2      PRO   2   4.415   8.408  -8.614
   10    HG3  PRO   2           HG3      PRO   2   3.830   9.745  -7.574
   11    HD2  PRO   2           HD2      PRO   2   5.588  10.162  -9.623
   12    HD3  PRO   2           HD3      PRO   2   5.702  11.086  -8.095
   13    H    HIS   3           H        HIS   3   7.230   6.110  -6.186
   14    HA   HIS   3           HA       HIS   3   8.089   4.569  -8.474
   15    HB2  HIS   3           HB2      HIS   3   8.714   4.228  -6.049
   16    HB3  HIS   3           HB3      HIS   3   7.081   3.635  -5.750
   17    HD1  HIS   3           HD1      HIS   3  10.349   2.626  -7.531
   18    HD2  HIS   3           HD2      HIS   3   6.558   1.109  -6.518
   19    HE1  HIS   3           HE1      HIS   3  10.443   0.116  -7.969
   20    H    MET   4           H        MET   4   4.928   5.362  -7.301
   21    HA   MET   4           HA       MET   4   3.590   3.918  -9.428
   22    HB2  MET   4           HB2      MET   4   2.074   2.614  -7.967
   23    HB3  MET   4           HB3      MET   4   3.747   2.063  -7.891
   24    HG2  MET   4           HG2      MET   4   4.063   3.222  -5.739
   25    HG3  MET   4           HG3      MET   4   2.438   3.893  -5.848
   26    HE1  MET   4           HE1      MET   4   3.784   0.176  -6.548
   27    HE2  MET   4           HE2      MET   4   4.630   0.755  -5.089
   28    HE3  MET   4           HE3      MET   4   3.434  -0.547  -4.968
   29    H    SER   5           H        SER   5   1.337   4.452  -9.627
   30    HA   SER   5           HA       SER   5   0.919   7.264  -9.090
   31    HB2  SER   5           HB2      SER   5  -0.921   5.261 -10.451
   32    HB3  SER   5           HB3      SER   5  -0.970   7.025 -10.593
   33    HG   SER   5           HG       SER   5   0.102   6.069 -12.370
   34    H    TYR   6           H        TYR   6   0.335   4.912  -6.922
   35    HA   TYR   6           HA       TYR   6  -2.043   6.181  -5.710
   36    HB2  TYR   6           HB2      TYR   6  -3.247   4.085  -5.558
   37    HB3  TYR   6           HB3      TYR   6  -2.918   4.454  -7.237
   38    HD1  TYR   6           HD2      TYR   6  -1.260   3.126  -8.541
   39    HD2  TYR   6           HD1      TYR   6  -2.249   2.138  -4.458
   40    HE1  TYR   6           HE2      TYR   6  -0.217   0.887  -8.836
   41    HE2  TYR   6           HE1      TYR   6  -1.205  -0.107  -4.751
   42    HH   TYR   6           HH       TYR   6   0.292  -1.113  -7.847
   43    H    ASP   7           H        ASP   7  -2.606   5.120  -3.590
   44    HA   ASP   7           HA       ASP   7  -0.602   3.740  -2.044
   45    HB2  ASP   7           HB2      ASP   7  -0.039   5.510  -0.479
   46    HB3  ASP   7           HB3      ASP   7   0.469   5.975  -2.090
   47    H    ALA   8           H        ALA   8  -1.264   3.471   0.240
   48    HA   ALA   8           HA       ALA   8  -4.175   3.134   0.479
   49    HB1  ALA   8           HB1      ALA   8  -2.581   1.360   1.129
   50    HB2  ALA   8           HB2      ALA   8  -1.870   2.436   2.356
   51    HB3  ALA   8           HB3      ALA   8  -3.557   1.891   2.515
   52    H    ASN   9           H        ASN   9  -1.933   5.590   1.472
   53    HA   ASN   9           HA       ASN   9  -3.279   6.353   3.927
   54    HB2  ASN   9           HB2      ASN   9  -0.843   6.582   3.539
   55    HB3  ASN   9           HB3      ASN   9  -1.147   7.771   2.274
   56   HD21  ASN   9          HD22      ASN   9  -1.228   9.933   2.921
   57   HD22  ASN   9          HD21      ASN   9  -1.413  10.437   4.590
   58    H    VAL  10           H        VAL  10  -3.466   7.431   0.579
   59    HA   VAL  10           HA       VAL  10  -4.543   9.841   0.554
   60    HB   VAL  10           HB       VAL  10  -4.175   8.395  -1.401
   61   HG11  VAL  10          HG11      VAL  10  -7.014   7.360  -1.049
   62   HG12  VAL  10          HG12      VAL  10  -5.862   6.971  -2.341
   63   HG13  VAL  10          HG13      VAL  10  -5.548   6.419  -0.688
   64   HG21  VAL  10          HG21      VAL  10  -5.244  10.609  -1.618
   65   HG22  VAL  10          HG22      VAL  10  -5.764   9.465  -2.868
   66   HG23  VAL  10          HG23      VAL  10  -6.842   9.839  -1.512
   67    H    ILE  11           H        ILE  11  -6.316  11.015   0.938
   68    HA   ILE  11           HA       ILE  11  -8.215   9.953   2.878
   69    HB   ILE  11           HB       ILE  11  -6.918  12.239   2.821
   70   HG12  ILE  11          HG12      ILE  11  -9.827  12.186   3.659
   71   HG13  ILE  11          HG13      ILE  11  -8.468  11.516   4.576
   72   HG21  ILE  11          HG21      ILE  11  -9.442  13.127   1.373
   73   HG22  ILE  11          HG22      ILE  11  -8.026  14.110   1.807
   74   HG23  ILE  11          HG23      ILE  11  -7.883  12.878   0.550
   75   HD11  ILE  11          HD11      ILE  11  -7.474  13.745   4.816
   76   HD12  ILE  11          HD12      ILE  11  -8.811  14.454   3.879
   77   HD13  ILE  11          HD13      ILE  11  -9.146  13.706   5.434
   78    H    ASP  12           H        ASP  12 -10.584  10.309   2.781
   79    HA   ASP  12           HA       ASP  12 -11.675  10.270  -0.006
   80    HB2  ASP  12           HB2      ASP  12 -12.154   8.325   1.677
   81    HB3  ASP  12           HB3      ASP  12 -13.316   9.468   2.376
   82    H    ASP  13           H        ASP  13 -12.470  12.126  -0.685
   83    HA   ASP  13           HA       ASP  13 -13.033  14.422   0.893
   84    HB2  ASP  13           HB2      ASP  13 -13.968  13.612  -1.887
   85    HB3  ASP  13           HB3      ASP  13 -14.206  15.210  -1.186
   86    H    GLU  14           H        GLU  14 -15.121  11.652   0.070
   87    HA   GLU  14           HA       GLU  14 -17.596  12.990   0.797
   88    HB2  GLU  14           HB2      GLU  14 -17.442  11.028  -0.744
   89    HB3  GLU  14           HB3      GLU  14 -17.018  10.019   0.654
   90    HG2  GLU  14           HG2      GLU  14 -19.178  10.445   1.688
   91    HG3  GLU  14           HG3      GLU  14 -19.582  11.653   0.462
   92    H    ALA  15           H        ALA  15 -15.279  10.880   2.504
   93    HA   ALA  15           HA       ALA  15 -16.692  10.900   5.033
   94    HB1  ALA  15           HB1      ALA  15 -13.728  10.487   4.417
   95    HB2  ALA  15           HB2      ALA  15 -14.542  10.130   5.949
   96    HB3  ALA  15           HB3      ALA  15 -14.976   9.219   4.481
   97    H    VAL  16           H        VAL  16 -14.006  12.954   3.724
   98    HA   VAL  16           HA       VAL  16 -13.768  14.658   5.985
   99    HB   VAL  16           HB       VAL  16 -13.374  15.281   3.037
  100   HG11  VAL  16          HG11      VAL  16 -12.682  17.028   5.444
  101   HG12  VAL  16          HG12      VAL  16 -12.038  17.265   3.806
  102   HG13  VAL  16          HG13      VAL  16 -13.769  17.446   4.098
  103   HG21  VAL  16          HG21      VAL  16 -11.824  13.613   4.119
  104   HG22  VAL  16          HG22      VAL  16 -11.014  15.085   3.564
  105   HG23  VAL  16          HG23      VAL  16 -11.368  14.855   5.294
  106    H    LYS  17           H        LYS  17 -15.957  15.162   3.116
  107    HA   LYS  17           HA       LYS  17 -17.260  17.473   4.151
  108    HB2  LYS  17           HB2      LYS  17 -18.117  15.300   2.199
  109    HB3  LYS  17           HB3      LYS  17 -19.134  16.695   2.577
  110    HG2  LYS  17           HG2      LYS  17 -17.477  18.261   1.763
  111    HG3  LYS  17           HG3      LYS  17 -16.266  16.996   1.586
  112    HD2  LYS  17           HD2      LYS  17 -17.123  17.551  -0.587
  113    HD3  LYS  17           HD3      LYS  17 -17.624  15.902  -0.175
  114    HE2  LYS  17           HE2      LYS  17 -19.881  16.747   0.462
  115    HE3  LYS  17           HE3      LYS  17 -19.366  18.405   0.112
  116    HZ1  LYS  17           HZ1      LYS  17 -19.523  16.213  -1.891
  117    HZ2  LYS  17           HZ2      LYS  17 -20.590  17.447  -1.751
  118    HZ3  LYS  17           HZ3      LYS  17 -19.052  17.751  -2.212
  119    H    GLU  18           H        GLU  18 -18.097  13.997   4.666
  120    HA   GLU  18           HA       GLU  18 -20.383  14.597   6.304
  121    HB2  GLU  18           HB2      GLU  18 -19.929  12.423   5.197
  122    HB3  GLU  18           HB3      GLU  18 -18.657  12.094   6.391
  123    HG2  GLU  18           HG2      GLU  18 -20.291  12.190   8.210
  124    HG3  GLU  18           HG3      GLU  18 -21.559  12.718   7.101
  125    H    VAL  19           H        VAL  19 -16.914  14.079   7.221
  126    HA   VAL  19           HA       VAL  19 -17.254  14.409  10.028
  127    HB   VAL  19           HB       VAL  19 -14.891  15.269   8.326
  128   HG11  VAL  19          HG11      VAL  19 -14.754  16.358  10.524
  129   HG12  VAL  19          HG12      VAL  19 -15.149  14.838  11.345
  130   HG13  VAL  19          HG13      VAL  19 -13.607  15.016  10.487
  131   HG21  VAL  19          HG21      VAL  19 -13.917  13.198   8.673
  132   HG22  VAL  19          HG22      VAL  19 -14.949  12.800  10.060
  133   HG23  VAL  19          HG23      VAL  19 -15.596  12.711   8.432
  134    H    CYS  20           H        CYS  20 -16.742  16.988   7.524
  135    HA   CYS  20           HA       CYS  20 -16.832  19.195   9.276
  136    HB2  CYS  20           HB2      CYS  20 -17.876  18.978   6.410
  137    HB3  CYS  20           HB3      CYS  20 -17.537  20.477   7.285
  138    HG   CYS  20           HG       CYS  20 -15.552  20.174   5.712
  139    H    GLU  21           H        GLU  21 -19.576  17.373   7.882
  140    HA   GLU  21           HA       GLU  21 -21.620  19.149   8.911
  141    HB2  GLU  21           HB2      GLU  21 -21.831  17.659   6.895
  142    HB3  GLU  21           HB3      GLU  21 -21.824  16.260   7.966
  143    HG2  GLU  21           HG2      GLU  21 -24.091  16.723   7.385
  144    HG3  GLU  21           HG3      GLU  21 -23.894  17.135   9.083
  145    H    LYS  22           H        LYS  22 -20.545  15.845   9.902
  146    HA   LYS  22           HA       LYS  22 -22.230  15.574  12.190
  147    HB2  LYS  22           HB2      LYS  22 -19.566  14.355  11.345
  148    HB3  LYS  22           HB3      LYS  22 -20.423  13.800  12.774
  149    HG2  LYS  22           HG2      LYS  22 -21.802  13.801  10.062
  150    HG3  LYS  22           HG3      LYS  22 -20.690  12.513  10.531
  151    HD2  LYS  22           HD2      LYS  22 -22.009  12.002  12.528
  152    HD3  LYS  22           HD3      LYS  22 -23.173  13.289  12.115
  153    HE2  LYS  22           HE2      LYS  22 -23.691  12.148   9.980
  154    HE3  LYS  22           HE3      LYS  22 -22.469  10.913  10.318
  155    HZ1  LYS  22           HZ1      LYS  22 -23.802  10.278  12.286
  156    HZ2  LYS  22           HZ2      LYS  22 -24.970  11.358  11.874
  157    HZ3  LYS  22           HZ3      LYS  22 -24.639  10.091  10.894
  158    H    PHE  23           H        PHE  23 -18.813  16.559  11.970
  159    HA   PHE  23           HA       PHE  23 -18.627  16.973  14.864
  160    HB2  PHE  23           HB2      PHE  23 -17.017  15.804  12.988
  161    HB3  PHE  23           HB3      PHE  23 -16.313  17.409  13.010
  162    HD1  PHE  23           HD2      PHE  23 -17.576  14.740  15.350
  163    HD2  PHE  23           HD1      PHE  23 -14.539  17.702  14.566
  164    HE1  PHE  23           HE2      PHE  23 -16.314  13.959  17.329
  165    HE2  PHE  23           HE1      PHE  23 -13.252  16.902  16.524
  166    HZ   PHE  23           HZ       PHE  23 -14.150  15.034  17.932
  167    H    GLU  24           H        GLU  24 -19.384  19.020  12.290
  168    HA   GLU  24           HA       GLU  24 -19.731  21.197  12.096
  169    HB2  GLU  24           HB2      GLU  24 -19.234  21.426  15.096
  170    HB3  GLU  24           HB3      GLU  24 -20.049  22.603  14.065
  171    HG2  GLU  24           HG2      GLU  24 -21.806  20.919  13.531
  172    HG3  GLU  24           HG3      GLU  24 -21.040  19.783  14.652
  173    H    CYS  25           H        CYS  25 -17.057  20.221  11.713
  174    HA   CYS  25           HA       CYS  25 -15.355  22.640  12.138
  175    HB2  CYS  25           HB2      CYS  25 -13.460  21.113  11.880
  176    HB3  CYS  25           HB3      CYS  25 -14.549  20.528  13.141
  177    HG   CYS  25           HG       CYS  25 -13.623  18.487  11.726
  178    H    THR  26           H        THR  26 -13.559  22.635  10.322
  179    HA   THR  26           HA       THR  26 -14.857  22.705   7.624
  180    HB   THR  26           HB       THR  26 -13.093  24.283   7.008
  181    HG1  THR  26           HG1      THR  26 -12.343  24.020   9.744
  182   HG21  THR  26          HG21      THR  26 -14.432  25.176   9.600
  183   HG22  THR  26          HG22      THR  26 -13.789  26.214   8.317
  184   HG23  THR  26          HG23      THR  26 -15.194  25.186   7.996
  185    H    GLU  27           H        GLU  27 -13.687  22.023   5.801
  186    HA   GLU  27           HA       GLU  27 -12.533  19.517   5.921
  187    HB2  GLU  27           HB2      GLU  27 -11.876  21.614   3.796
  188    HB3  GLU  27           HB3      GLU  27 -11.715  19.870   3.659
  189    HG2  GLU  27           HG2      GLU  27 -13.663  20.154   2.531
  190    HG3  GLU  27           HG3      GLU  27 -14.321  19.855   4.132
  191    H    SER  28           H        SER  28 -10.729  22.628   5.783
  192    HA   SER  28           HA       SER  28  -8.111  21.649   5.764
  193    HB2  SER  28           HB2      SER  28  -9.143  24.143   7.169
  194    HB3  SER  28           HB3      SER  28  -7.483  23.848   6.615
  195    HG   SER  28           HG       SER  28  -8.672  25.119   5.119
  196    H    GLU  29           H        GLU  29 -10.330  21.811   8.553
  197    HA   GLU  29           HA       GLU  29  -8.191  21.365  10.532
  198    HB2  GLU  29           HB2      GLU  29 -11.223  21.259  10.722
  199    HB3  GLU  29           HB3      GLU  29 -10.132  21.018  12.076
  200    HG2  GLU  29           HG2      GLU  29  -9.282  23.250  11.971
  201    HG3  GLU  29           HG3      GLU  29 -10.056  23.563  10.420
  202    H    VAL  30           H        VAL  30 -10.573  19.409   8.730
  203    HA   VAL  30           HA       VAL  30  -9.993  16.921  10.115
  204    HB   VAL  30           HB       VAL  30 -11.127  17.236   7.305
  205   HG11  VAL  30          HG11      VAL  30 -10.402  14.934   7.812
  206   HG12  VAL  30          HG12      VAL  30 -11.283  14.978   9.354
  207   HG13  VAL  30          HG13      VAL  30 -12.170  15.021   7.818
  208   HG21  VAL  30          HG21      VAL  30 -13.348  17.011   8.436
  209   HG22  VAL  30          HG22      VAL  30 -12.521  17.168  10.011
  210   HG23  VAL  30          HG23      VAL  30 -12.536  18.510   8.851
  211    H    MET  31           H        MET  31  -8.840  18.421   7.065
  212    HA   MET  31           HA       MET  31  -6.917  16.470   6.274
  213    HB2  MET  31           HB2      MET  31  -6.955  19.507   5.970
  214    HB3  MET  31           HB3      MET  31  -5.808  18.453   5.148
  215    HG2  MET  31           HG2      MET  31  -8.823  18.189   4.812
  216    HG3  MET  31           HG3      MET  31  -7.817  19.223   3.807
  217    HE1  MET  31           HE1      MET  31  -9.781  17.065   2.693
  218    HE2  MET  31           HE2      MET  31  -8.766  18.103   1.674
  219    HE3  MET  31           HE3      MET  31  -8.801  16.352   1.392
  220    H    ASN  32           H        ASN  32  -6.480  19.353   8.422
  221    HA   ASN  32           HA       ASN  32  -3.747  19.209   8.760
  222    HB2  ASN  32           HB2      ASN  32  -5.053  21.066   9.601
  223    HB3  ASN  32           HB3      ASN  32  -5.891  20.033  10.762
  224   HD21  ASN  32          HD22      ASN  32  -4.895  19.603  12.783
  225   HD22  ASN  32          HD21      ASN  32  -3.325  20.261  13.204
  226    H    SER  33           H        SER  33  -6.080  17.577  11.048
  227    HA   SER  33           HA       SER  33  -3.927  16.389  12.523
  228    HB2  SER  33           HB2      SER  33  -6.847  15.571  12.452
  229    HB3  SER  33           HB3      SER  33  -5.631  15.092  13.654
  230    HG   SER  33           HG       SER  33  -6.696  16.870  14.490
  231    H    LEU  34           H        LEU  34  -5.204  15.386   9.492
  232    HA   LEU  34           HA       LEU  34  -4.197  12.613   9.789
  233    HB2  LEU  34           HB2      LEU  34  -5.705  14.070   7.579
  234    HB3  LEU  34           HB3      LEU  34  -5.210  12.382   7.488
  235    HG   LEU  34           HG       LEU  34  -7.069  13.465   9.665
  236   HD11  LEU  34          HD11      LEU  34  -8.052  13.742   7.422
  237   HD12  LEU  34          HD12      LEU  34  -7.816  12.007   7.099
  238   HD13  LEU  34          HD13      LEU  34  -8.912  12.548   8.395
  239   HD21  LEU  34          HD21      LEU  34  -5.938  11.336  10.274
  240   HD22  LEU  34          HD22      LEU  34  -7.664  11.079   9.975
  241   HD23  LEU  34          HD23      LEU  34  -6.477  10.605   8.743
  242    H    TYR  35           H        TYR  35  -3.200  15.703   8.511
  243    HA   TYR  35           HA       TYR  35  -1.066  14.443   6.840
  244    HB2  TYR  35           HB2      TYR  35  -2.759  15.946   5.807
  245    HB3  TYR  35           HB3      TYR  35  -2.219  17.258   6.846
  246    HD1  TYR  35           HD2      TYR  35  -0.880  14.765   4.353
  247    HD2  TYR  35           HD1      TYR  35  -0.598  18.751   5.974
  248    HE1  TYR  35           HE2      TYR  35   0.820  15.333   2.635
  249    HE2  TYR  35           HE1      TYR  35   1.110  19.329   4.259
  250    HH   TYR  35           HH       TYR  35   2.210  16.956   1.803
  251    H    SER  36           H        SER  36  -1.485  16.862   9.418
  252    HA   SER  36           HA       SER  36   1.504  16.983   9.821
  253    HB2  SER  36           HB2      SER  36  -0.541  19.236  10.039
  254    HB3  SER  36           HB3      SER  36   1.197  19.376  10.340
  255    HG   SER  36           HG       SER  36   1.582  18.977   8.147
  256    H    GLY  37           H        GLY  37  -1.601  16.617  11.409
  257    HA2  GLY  37           HA2      GLY  37  -0.410  16.900  14.133
  258    HA3  GLY  37           HA3      GLY  37  -2.103  16.560  13.737
  259    H    ASP  38           H        ASP  38  -2.560  14.635  14.622
  260    HA   ASP  38           HA       ASP  38  -0.997  12.263  13.847
  261    HB2  ASP  38           HB2      ASP  38  -0.024  13.035  15.964
  262    HB3  ASP  38           HB3      ASP  38  -1.618  13.014  16.724
  263    HA   PRO  39           HA       PRO  39  -5.072  10.624  13.169
  264    HB2  PRO  39           HB2      PRO  39  -3.829   8.047  14.150
  265    HB3  PRO  39           HB3      PRO  39  -4.924   8.305  12.752
  266    HG2  PRO  39           HG2      PRO  39  -2.265   8.123  12.337
  267    HG3  PRO  39           HG3      PRO  39  -3.201   9.417  11.516
  268    HD2  PRO  39           HD2      PRO  39  -1.483   9.616  13.992
  269    HD3  PRO  39           HD3      PRO  39  -1.612  10.732  12.593
  270    H    GLN  40           H        GLN  40  -3.696  10.385  16.382
  271    HA   GLN  40           HA       GLN  40  -6.102   9.233  17.625
  272    HB2  GLN  40           HB2      GLN  40  -3.673   8.798  18.278
  273    HB3  GLN  40           HB3      GLN  40  -3.631  10.444  18.932
  274    HG2  GLN  40           HG2      GLN  40  -5.393   9.850  20.560
  275    HG3  GLN  40           HG3      GLN  40  -5.562   8.251  19.824
  276   HE21  GLN  40          HE22      GLN  40  -3.597   6.767  19.960
  277   HE22  GLN  40          HE21      GLN  40  -2.537   6.980  21.343
  278    H    ASP  41           H        ASP  41  -5.246  12.356  16.567
  279    HA   ASP  41           HA       ASP  41  -6.512  13.966  18.621
  280    HB2  ASP  41           HB2      ASP  41  -4.855  14.913  17.116
  281    HB3  ASP  41           HB3      ASP  41  -5.838  14.484  15.710
  282    H    GLN  42           H        GLN  42  -8.518  14.967  18.585
  283    HA   GLN  42           HA       GLN  42 -10.778  13.423  18.091
  284    HB2  GLN  42           HB2      GLN  42 -10.475  16.460  18.295
  285    HB3  GLN  42           HB3      GLN  42 -12.019  15.614  18.339
  286    HG2  GLN  42           HG2      GLN  42 -11.296  14.339  20.348
  287    HG3  GLN  42           HG3      GLN  42  -9.759  15.209  20.345
  288   HE21  GLN  42          HE22      GLN  42 -13.319  15.636  20.739
  289   HE22  GLN  42          HE21      GLN  42 -13.169  17.139  21.635
  290    H    LEU  43           H        LEU  43  -9.438  15.894  15.801
  291    HA   LEU  43           HA       LEU  43 -11.685  15.711  13.962
  292    HB2  LEU  43           HB2      LEU  43  -8.838  16.763  13.743
  293    HB3  LEU  43           HB3      LEU  43 -10.004  16.920  12.448
  294    HG   LEU  43           HG       LEU  43 -10.771  17.932  15.203
  295   HD11  LEU  43          HD11      LEU  43  -8.584  18.912  14.895
  296   HD12  LEU  43          HD12      LEU  43  -8.983  19.409  13.245
  297   HD13  LEU  43          HD13      LEU  43  -9.817  20.153  14.622
  298   HD21  LEU  43          HD21      LEU  43 -12.118  19.503  13.883
  299   HD22  LEU  43          HD22      LEU  43 -11.417  18.876  12.374
  300   HD23  LEU  43          HD23      LEU  43 -12.453  17.839  13.374
  301    H    ALA  44           H        ALA  44  -8.634  13.944  14.263
  302    HA   ALA  44           HA       ALA  44  -9.030  12.484  11.731
  303    HB1  ALA  44           HB1      ALA  44  -6.759  13.014  12.488
  304    HB2  ALA  44           HB2      ALA  44  -7.036  12.159  14.022
  305    HB3  ALA  44           HB3      ALA  44  -7.025  11.257  12.490
  306    H    VAL  45           H        VAL  45  -9.469  11.858  15.224
  307    HA   VAL  45           HA       VAL  45 -10.384   9.163  14.983
  308    HB   VAL  45           HB       VAL  45 -10.873  11.315  17.062
  309   HG11  VAL  45          HG11      VAL  45 -11.751   9.511  18.567
  310   HG12  VAL  45          HG12      VAL  45 -12.844   9.908  17.243
  311   HG13  VAL  45          HG13      VAL  45 -11.855   8.429  17.158
  312   HG21  VAL  45          HG21      VAL  45  -9.280   8.704  17.109
  313   HG22  VAL  45          HG22      VAL  45  -8.590  10.319  16.880
  314   HG23  VAL  45          HG23      VAL  45  -9.369   9.909  18.413
  315    H    ALA  46           H        ALA  46 -12.256  12.272  14.871
  316    HA   ALA  46           HA       ALA  46 -14.826  11.236  14.330
  317    HB1  ALA  46           HB1      ALA  46 -14.265  13.609  14.761
  318    HB2  ALA  46           HB2      ALA  46 -13.478  13.719  13.173
  319    HB3  ALA  46           HB3      ALA  46 -15.223  13.402  13.289
  320    H    TYR  47           H        TYR  47 -12.247  12.035  11.923
  321    HA   TYR  47           HA       TYR  47 -13.577  11.084   9.614
  322    HB2  TYR  47           HB2      TYR  47 -11.629  12.507   9.530
  323    HB3  TYR  47           HB3      TYR  47 -10.637  11.308  10.328
  324    HD1  TYR  47           HD1      TYR  47 -12.308  12.184   7.137
  325    HD2  TYR  47           HD2      TYR  47  -9.694   9.419   9.178
  326    HE1  TYR  47           HE1      TYR  47 -11.596  11.238   4.950
  327    HE2  TYR  47           HE2      TYR  47  -8.980   8.475   6.997
  328    HH   TYR  47           HH       TYR  47  -9.282   8.506   4.741
  329    H    HIS  48           H        HIS  48 -11.373   9.188  11.755
  330    HA   HIS  48           HA       HIS  48 -11.652   6.758  10.230
  331    HB2  HIS  48           HB2      HIS  48 -10.884   7.299  13.129
  332    HB3  HIS  48           HB3      HIS  48 -10.945   5.682  12.438
  333    HD1  HIS  48           HD1      HIS  48  -8.857   8.888  12.158
  334    HD2  HIS  48           HD2      HIS  48  -9.068   4.963  10.656
  335    HE1  HIS  48           HE1      HIS  48  -6.656   8.470  10.932
  336    H    LEU  49           H        LEU  49 -13.505   7.862  13.136
  337    HA   LEU  49           HA       LEU  49 -15.242   5.585  13.270
  338    HB2  LEU  49           HB2      LEU  49 -15.550   8.482  14.184
  339    HB3  LEU  49           HB3      LEU  49 -16.709   7.221  14.580
  340    HG   LEU  49           HG       LEU  49 -13.768   7.105  15.397
  341   HD11  LEU  49          HD11      LEU  49 -14.549   7.795  17.627
  342   HD12  LEU  49          HD12      LEU  49 -14.922   9.040  16.423
  343   HD13  LEU  49          HD13      LEU  49 -16.211   7.965  17.008
  344   HD21  LEU  49          HD21      LEU  49 -14.568   5.393  17.004
  345   HD22  LEU  49          HD22      LEU  49 -16.190   5.480  16.292
  346   HD23  LEU  49          HD23      LEU  49 -14.819   4.879  15.329
  347    H    ILE  50           H        ILE  50 -15.568   8.657  11.486
  348    HA   ILE  50           HA       ILE  50 -18.227   8.020  10.489
  349    HB   ILE  50           HB       ILE  50 -16.144  10.128   9.873
  350   HG12  ILE  50          HG12      ILE  50 -19.033  10.227  10.882
  351   HG13  ILE  50          HG13      ILE  50 -17.643  10.107  11.952
  352   HG21  ILE  50          HG21      ILE  50 -17.707  11.217   8.320
  353   HG22  ILE  50          HG22      ILE  50 -17.149   9.686   7.683
  354   HG23  ILE  50          HG23      ILE  50 -18.778   9.798   8.386
  355   HD11  ILE  50          HD11      ILE  50 -16.800  12.277  11.126
  356   HD12  ILE  50          HD12      ILE  50 -18.267  12.432  10.114
  357   HD13  ILE  50          HD13      ILE  50 -18.385  12.375  11.885
  358    H    ILE  51           H        ILE  51 -14.970   7.385   9.125
  359    HA   ILE  51           HA       ILE  51 -16.071   6.192   6.699
  360    HB   ILE  51           HB       ILE  51 -13.365   6.048   8.062
  361   HG12  ILE  51          HG12      ILE  51 -14.486   7.093   5.420
  362   HG13  ILE  51          HG13      ILE  51 -13.974   8.059   6.804
  363   HG21  ILE  51          HG21      ILE  51 -13.710   3.781   7.164
  364   HG22  ILE  51          HG22      ILE  51 -14.183   4.463   5.583
  365   HG23  ILE  51          HG23      ILE  51 -12.526   4.640   6.210
  366   HD11  ILE  51          HD11      ILE  51 -12.346   8.224   5.045
  367   HD12  ILE  51          HD12      ILE  51 -11.622   7.307   6.394
  368   HD13  ILE  51          HD13      ILE  51 -12.183   6.474   4.920
  369    H    ASP  52           H        ASP  52 -15.291   4.779   9.918
  370    HA   ASP  52           HA       ASP  52 -16.124   2.129   9.245
  371    HB2  ASP  52           HB2      ASP  52 -16.050   3.652  11.863
  372    HB3  ASP  52           HB3      ASP  52 -16.694   2.018  11.760
  373    H    ASN  53           H        ASN  53 -18.120   4.834  10.593
  374    HA   ASN  53           HA       ASN  53 -20.596   3.383  10.516
  375    HB2  ASN  53           HB2      ASN  53 -19.886   6.333  10.502
  376    HB3  ASN  53           HB3      ASN  53 -21.547   5.816  10.228
  377   HD21  ASN  53          HD22      ASN  53 -18.869   5.628  12.627
  378   HD22  ASN  53          HD21      ASN  53 -19.940   5.310  13.986
  379    H    ARG  54           H        ARG  54 -19.056   5.434   8.003
  380    HA   ARG  54           HA       ARG  54 -21.057   5.229   6.033
  381    HB2  ARG  54           HB2      ARG  54 -19.295   6.866   6.036
  382    HB3  ARG  54           HB3      ARG  54 -18.060   5.615   5.862
  383    HG2  ARG  54           HG2      ARG  54 -18.781   5.134   3.593
  384    HG3  ARG  54           HG3      ARG  54 -20.127   6.290   3.733
  385    HD2  ARG  54           HD2      ARG  54 -18.595   8.155   3.989
  386    HD3  ARG  54           HD3      ARG  54 -17.216   7.081   4.193
  387    HE   ARG  54           HE       ARG  54 -18.738   7.556   1.643
  388   HH11  ARG  54          HH22      ARG  54 -15.624   6.456   3.067
  389   HH12  ARG  54          HH21      ARG  54 -14.844   6.712   1.514
  390   HH21  ARG  54          HH11      ARG  54 -17.666   7.685  -0.157
  391   HH22  ARG  54          HH12      ARG  54 -15.918   7.382  -0.222
  392    H    ARG  55           H        ARG  55 -18.233   3.075   6.519
  393    HA   ARG  55           HA       ARG  55 -19.083   1.396   4.269
  394    HB2  ARG  55           HB2      ARG  55 -16.998   0.353   4.365
  395    HB3  ARG  55           HB3      ARG  55 -16.741   2.065   4.670
  396    HG2  ARG  55           HG2      ARG  55 -16.699   1.418   7.193
  397    HG3  ARG  55           HG3      ARG  55 -16.583  -0.254   6.637
  398    HD2  ARG  55           HD2      ARG  55 -14.534   0.204   5.437
  399    HD3  ARG  55           HD3      ARG  55 -14.684   1.948   5.739
  400    HE   ARG  55           HE       ARG  55 -14.645   0.830   8.273
  401   HH11  ARG  55          HH21      ARG  55 -12.361   0.763   5.564
  402   HH12  ARG  55          HH22      ARG  55 -10.984   0.706   6.625
  403   HH21  ARG  55          HH11      ARG  55 -12.891   0.811   9.550
  404   HH22  ARG  55          HH12      ARG  55 -11.275   0.686   8.880
  405    H    ILE  56           H        ILE  56 -19.167   0.991   7.819
  406    HA   ILE  56           HA       ILE  56 -20.026  -1.848   7.539
  407    HB   ILE  56           HB       ILE  56 -19.608  -0.164  10.042
  408   HG12  ILE  56          HG12      ILE  56 -17.462  -0.337   8.919
  409   HG13  ILE  56          HG13      ILE  56 -17.481  -1.344  10.347
  410   HG21  ILE  56          HG21      ILE  56 -20.003  -3.159   9.681
  411   HG22  ILE  56          HG22      ILE  56 -19.437  -2.391  11.181
  412   HG23  ILE  56          HG23      ILE  56 -21.041  -2.021  10.560
  413   HD11  ILE  56          HD11      ILE  56 -16.326  -2.452   8.489
  414   HD12  ILE  56          HD12      ILE  56 -17.771  -3.373   8.931
  415   HD13  ILE  56          HD13      ILE  56 -17.771  -2.348   7.475
  416    H    MET  57           H        MET  57 -21.454   1.246   8.510
  417    HA   MET  57           HA       MET  57 -24.132  -0.058   8.690
  418    HB2  MET  57           HB2      MET  57 -23.072   0.223  10.918
  419    HB3  MET  57           HB3      MET  57 -22.988   1.964  10.652
  420    HG2  MET  57           HG2      MET  57 -24.885   1.267  12.087
  421    HG3  MET  57           HG3      MET  57 -25.403   2.142  10.662
  422    HE1  MET  57           HE1      MET  57 -28.448  -0.156  11.254
  423    HE2  MET  57           HE2      MET  57 -27.444   0.667  12.463
  424    HE3  MET  57           HE3      MET  57 -27.875   1.500  10.952
  425    H    ASN  58           H        ASN  58 -23.728   0.899   6.366
  426    HA   ASN  58           HA       ASN  58 -23.971   3.659   5.875
  427    HB2  ASN  58           HB2      ASN  58 -23.298   1.867   4.257
  428    HB3  ASN  58           HB3      ASN  58 -24.977   1.336   4.180
  429   HD21  ASN  58          HD22      ASN  58 -25.880   2.035   2.255
  430   HD22  ASN  58          HD21      ASN  58 -25.589   3.610   1.539
  431    H    GLN  59           H        GLN  59 -26.447   1.567   7.087
  432    HA   GLN  59           HA       GLN  59 -28.771   3.112   6.213
  433    HB2  GLN  59           HB2      GLN  59 -28.376   1.027   8.413
  434    HB3  GLN  59           HB3      GLN  59 -29.931   1.723   7.953
  435    HG2  GLN  59           HG2      GLN  59 -29.667   0.832   5.648
  436    HG3  GLN  59           HG3      GLN  59 -28.132   0.086   6.105
  437   HE21  GLN  59          HE22      GLN  59 -31.667   0.071   6.921
  438   HE22  GLN  59          HE21      GLN  59 -31.651  -1.596   7.472
  439    H    ALA  60           H        ALA  60 -26.353   3.774   8.610
  440    HA   ALA  60           HA       ALA  60 -27.866   5.042  10.633
  441    HB1  ALA  60           HB1      ALA  60 -25.748   6.240  11.105
  442    HB2  ALA  60           HB2      ALA  60 -25.482   4.507  10.843
  443    HB3  ALA  60           HB3      ALA  60 -25.079   5.668   9.561
  444    H    SER  61           H        SER  61 -29.297   6.618  10.436
  445    HA   SER  61           HA       SER  61 -29.152   8.523   8.124
  446    HB2  SER  61           HB2      SER  61 -31.517   7.437   9.693
  447    HB3  SER  61           HB3      SER  61 -31.608   8.560   8.327
  448    HG   SER  61           HG       SER  61 -30.442   5.943   8.195
  449    H    GLU  62           H        GLU  62 -28.313   8.735  11.241
  450    HA   GLU  62           HA       GLU  62 -28.909  11.620  11.433
  451    HB2  GLU  62           HB2      GLU  62 -30.810  10.490  12.577
  452    HB3  GLU  62           HB3      GLU  62 -29.666   9.689  13.661
  453    HG2  GLU  62           HG2      GLU  62 -28.925  11.898  14.518
  454    HG3  GLU  62           HG3      GLU  62 -29.991  12.713  13.366
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   8.878  15.947   1.551
    2    H2   GLY   1           H2       GLY   1   8.533  14.701   0.547
    3    H3   GLY   1           H3       GLY   1   7.513  15.978   0.650
    4    HA2  GLY   1           HA2      GLY   1   8.092  14.075   2.841
    5    HA3  GLY   1           HA3      GLY   1   6.982  15.455   2.954
    6    HA   PRO   2           HA       PRO   2   4.879  11.483   1.361
    7    HB2  PRO   2           HB2      PRO   2   3.458  10.695   3.567
    8    HB3  PRO   2           HB3      PRO   2   5.154  10.208   3.261
    9    HG2  PRO   2           HG2      PRO   2   4.163  12.492   4.995
   10    HG3  PRO   2           HG3      PRO   2   5.354  11.218   5.419
   11    HD2  PRO   2           HD2      PRO   2   6.139  13.675   4.567
   12    HD3  PRO   2           HD3      PRO   2   7.026  12.204   4.059
   13    H    HIS   3           H        HIS   3   2.741  11.381   0.652
   14    HA   HIS   3           HA       HIS   3   0.644  13.197   1.437
   15    HB2  HIS   3           HB2      HIS   3   0.674  14.611  -0.583
   16    HB3  HIS   3           HB3      HIS   3   2.115  14.843   0.373
   17    HD1  HIS   3           HD1      HIS   3   4.456  13.886  -0.712
   18    HD2  HIS   3           HD2      HIS   3   0.970  13.621  -3.067
   19    HE1  HIS   3           HE1      HIS   3   5.234  13.423  -3.088
   20    H    MET   4           H        MET   4  -1.092  13.202  -0.448
   21    HA   MET   4           HA       MET   4  -2.134  10.652  -0.745
   22    HB2  MET   4           HB2      MET   4  -2.594  13.188  -2.388
   23    HB3  MET   4           HB3      MET   4  -3.592  11.754  -2.504
   24    HG2  MET   4           HG2      MET   4  -4.770  13.135  -1.053
   25    HG3  MET   4           HG3      MET   4  -4.019  11.947   0.007
   26    HE1  MET   4           HE1      MET   4  -4.242  15.199   2.201
   27    HE2  MET   4           HE2      MET   4  -5.403  14.611   0.992
   28    HE3  MET   4           HE3      MET   4  -4.619  13.464   2.105
   29    H    SER   5           H        SER   5  -1.186   8.978  -1.696
   30    HA   SER   5           HA       SER   5  -0.040   9.198  -4.471
   31    HB2  SER   5           HB2      SER   5   1.210   7.815  -2.059
   32    HB3  SER   5           HB3      SER   5   1.881   7.903  -3.694
   33    HG   SER   5           HG       SER   5   1.481  10.037  -1.847
   34    H    TYR   6           H        TYR   6  -1.678   7.106  -2.083
   35    HA   TYR   6           HA       TYR   6  -2.131   5.014  -4.113
   36    HB2  TYR   6           HB2      TYR   6   0.096   4.481  -3.235
   37    HB3  TYR   6           HB3      TYR   6  -0.486   4.621  -1.581
   38    HD1  TYR   6           HD1      TYR   6  -1.232   2.710  -4.753
   39    HD2  TYR   6           HD2      TYR   6  -1.049   2.647  -0.442
   40    HE1  TYR   6           HE1      TYR   6  -1.879   0.307  -4.762
   41    HE2  TYR   6           HE2      TYR   6  -1.682   0.243  -0.447
   42    HH   TYR   6           HH       TYR   6  -2.221  -1.581  -1.732
   43    H    ASP   7           H        ASP   7  -3.659   3.403  -3.461
   44    HA   ASP   7           HA       ASP   7  -5.999   4.442  -2.483
   45    HB2  ASP   7           HB2      ASP   7  -5.746   2.465  -3.933
   46    HB3  ASP   7           HB3      ASP   7  -5.140   1.529  -2.564
   47    H    ALA   8           H        ALA   8  -3.687   2.561  -0.570
   48    HA   ALA   8           HA       ALA   8  -5.342   2.530   1.838
   49    HB1  ALA   8           HB1      ALA   8  -3.390   1.475   2.863
   50    HB2  ALA   8           HB2      ALA   8  -3.708   0.741   1.279
   51    HB3  ALA   8           HB3      ALA   8  -2.374   1.912   1.478
   52    H    ASN   9           H        ASN   9  -3.082   4.833   0.512
   53    HA   ASN   9           HA       ASN   9  -2.702   6.173   3.136
   54    HB2  ASN   9           HB2      ASN   9  -0.623   6.411   2.528
   55    HB3  ASN   9           HB3      ASN   9  -0.919   5.519   1.056
   56   HD21  ASN   9          HD22      ASN   9   0.484   8.295   2.138
   57   HD22  ASN   9          HD21      ASN   9   0.286   9.274   0.691
   58    H    VAL  10           H        VAL  10  -4.249   6.767   0.011
   59    HA   VAL  10           HA       VAL  10  -4.570   9.592   0.310
   60    HB   VAL  10           HB       VAL  10  -6.432   9.473  -1.295
   61   HG11  VAL  10          HG11      VAL  10  -5.112   8.820  -3.206
   62   HG12  VAL  10          HG12      VAL  10  -4.085   9.633  -2.015
   63   HG13  VAL  10          HG13      VAL  10  -4.006   7.882  -2.187
   64   HG21  VAL  10          HG21      VAL  10  -6.007   6.462  -1.281
   65   HG22  VAL  10          HG22      VAL  10  -7.457   7.313  -0.718
   66   HG23  VAL  10          HG23      VAL  10  -7.010   7.371  -2.426
   67    H    ILE  11           H        ILE  11  -6.362  10.880   0.817
   68    HA   ILE  11           HA       ILE  11  -7.979   9.941   3.099
   69    HB   ILE  11           HB       ILE  11  -6.684  12.189   2.875
   70   HG12  ILE  11          HG12      ILE  11  -9.570  12.323   3.802
   71   HG13  ILE  11          HG13      ILE  11  -8.245  11.588   4.719
   72   HG21  ILE  11          HG21      ILE  11  -7.740  12.745   0.611
   73   HG22  ILE  11          HG22      ILE  11  -9.250  13.087   1.499
   74   HG23  ILE  11          HG23      ILE  11  -7.786  14.042   1.801
   75   HD11  ILE  11          HD11      ILE  11  -8.739  13.884   5.477
   76   HD12  ILE  11          HD12      ILE  11  -7.072  13.715   4.879
   77   HD13  ILE  11          HD13      ILE  11  -8.315  14.518   3.890
   78    H    ASP  12           H        ASP  12 -10.341  10.080   3.154
   79    HA   ASP  12           HA       ASP  12 -11.617   9.919   0.466
   80    HB2  ASP  12           HB2      ASP  12 -12.094   8.227   2.393
   81    HB3  ASP  12           HB3      ASP  12 -13.156   9.510   3.000
   82    H    ASP  13           H        ASP  13 -12.142  11.779  -0.389
   83    HA   ASP  13           HA       ASP  13 -12.617  14.255   0.904
   84    HB2  ASP  13           HB2      ASP  13 -12.051  13.946  -1.489
   85    HB3  ASP  13           HB3      ASP  13 -13.632  13.211  -1.772
   86    H    GLU  14           H        GLU  14 -14.824  11.526   0.312
   87    HA   GLU  14           HA       GLU  14 -17.237  13.047   0.920
   88    HB2  GLU  14           HB2      GLU  14 -16.795  10.054   0.838
   89    HB3  GLU  14           HB3      GLU  14 -18.347  10.857   1.035
   90    HG2  GLU  14           HG2      GLU  14 -18.145  11.907  -1.185
   91    HG3  GLU  14           HG3      GLU  14 -16.553  11.173  -1.411
   92    H    ALA  15           H        ALA  15 -14.998  10.969   2.789
   93    HA   ALA  15           HA       ALA  15 -16.541  11.167   5.238
   94    HB1  ALA  15           HB1      ALA  15 -13.563  10.630   4.881
   95    HB2  ALA  15           HB2      ALA  15 -14.538  10.318   6.324
   96    HB3  ALA  15           HB3      ALA  15 -14.849   9.400   4.838
   97    H    VAL  16           H        VAL  16 -13.753  13.064   3.923
   98    HA   VAL  16           HA       VAL  16 -13.556  14.898   6.096
   99    HB   VAL  16           HB       VAL  16 -13.012  15.285   3.129
  100   HG11  VAL  16          HG11      VAL  16 -13.386  17.534   3.994
  101   HG12  VAL  16          HG12      VAL  16 -12.391  17.197   5.424
  102   HG13  VAL  16          HG13      VAL  16 -11.650  17.288   3.811
  103   HG21  VAL  16          HG21      VAL  16 -10.674  15.074   3.785
  104   HG22  VAL  16          HG22      VAL  16 -11.126  14.970   5.507
  105   HG23  VAL  16          HG23      VAL  16 -11.557  13.668   4.387
  106    H    LYS  17           H        LYS  17 -15.639  15.147   3.135
  107    HA   LYS  17           HA       LYS  17 -16.983  17.539   3.892
  108    HB2  LYS  17           HB2      LYS  17 -16.940  16.549   1.630
  109    HB3  LYS  17           HB3      LYS  17 -17.951  15.207   2.181
  110    HG2  LYS  17           HG2      LYS  17 -19.813  16.754   2.634
  111    HG3  LYS  17           HG3      LYS  17 -18.765  18.147   2.326
  112    HD2  LYS  17           HD2      LYS  17 -20.222  17.772   0.426
  113    HD3  LYS  17           HD3      LYS  17 -18.545  17.484  -0.044
  114    HE2  LYS  17           HE2      LYS  17 -18.893  15.034   0.146
  115    HE3  LYS  17           HE3      LYS  17 -20.550  15.299   0.718
  116    HZ1  LYS  17           HZ1      LYS  17 -19.522  16.068  -1.964
  117    HZ2  LYS  17           HZ2      LYS  17 -20.495  14.791  -1.656
  118    HZ3  LYS  17           HZ3      LYS  17 -21.056  16.310  -1.445
  119    H    GLU  18           H        GLU  18 -17.867  14.103   4.599
  120    HA   GLU  18           HA       GLU  18 -20.236  14.744   6.046
  121    HB2  GLU  18           HB2      GLU  18 -19.613  12.492   5.149
  122    HB3  GLU  18           HB3      GLU  18 -18.401  12.353   6.415
  123    HG2  GLU  18           HG2      GLU  18 -20.390  11.127   7.044
  124    HG3  GLU  18           HG3      GLU  18 -20.163  12.483   8.143
  125    H    VAL  19           H        VAL  19 -16.868  14.225   7.293
  126    HA   VAL  19           HA       VAL  19 -17.383  14.622  10.043
  127    HB   VAL  19           HB       VAL  19 -14.925  15.454   8.483
  128   HG11  VAL  19          HG11      VAL  19 -13.735  15.159  10.694
  129   HG12  VAL  19          HG12      VAL  19 -14.891  16.494  10.721
  130   HG13  VAL  19          HG13      VAL  19 -15.309  14.944  11.477
  131   HG21  VAL  19          HG21      VAL  19 -15.790  12.854   8.688
  132   HG22  VAL  19          HG22      VAL  19 -14.093  13.349   8.583
  133   HG23  VAL  19          HG23      VAL  19 -14.831  12.996  10.150
  134    H    CYS  20           H        CYS  20 -16.824  17.133   7.519
  135    HA   CYS  20           HA       CYS  20 -16.852  19.419   9.191
  136    HB2  CYS  20           HB2      CYS  20 -16.193  19.436   6.844
  137    HB3  CYS  20           HB3      CYS  20 -17.832  18.997   6.324
  138    HG   CYS  20           HG       CYS  20 -17.205  21.624   8.221
  139    H    GLU  21           H        GLU  21 -19.630  17.486   8.046
  140    HA   GLU  21           HA       GLU  21 -21.586  19.387   9.179
  141    HB2  GLU  21           HB2      GLU  21 -21.952  18.169   7.010
  142    HB3  GLU  21           HB3      GLU  21 -21.972  16.649   7.893
  143    HG2  GLU  21           HG2      GLU  21 -24.237  17.306   7.480
  144    HG3  GLU  21           HG3      GLU  21 -23.943  17.462   9.206
  145    H    LYS  22           H        LYS  22 -20.654  15.955   9.683
  146    HA   LYS  22           HA       LYS  22 -22.349  15.422  11.878
  147    HB2  LYS  22           HB2      LYS  22 -21.322  13.826  10.240
  148    HB3  LYS  22           HB3      LYS  22 -19.749  14.142  10.934
  149    HG2  LYS  22           HG2      LYS  22 -20.586  12.008  11.679
  150    HG3  LYS  22           HG3      LYS  22 -20.407  13.089  13.051
  151    HD2  LYS  22           HD2      LYS  22 -22.414  11.655  13.153
  152    HD3  LYS  22           HD3      LYS  22 -22.825  13.381  13.199
  153    HE2  LYS  22           HE2      LYS  22 -23.387  13.282  10.755
  154    HE3  LYS  22           HE3      LYS  22 -22.947  11.572  10.730
  155    HZ1  LYS  22           HZ1      LYS  22 -25.165  12.738  12.334
  156    HZ2  LYS  22           HZ2      LYS  22 -25.340  11.873  10.959
  157    HZ3  LYS  22           HZ3      LYS  22 -24.758  11.149  12.305
  158    H    PHE  23           H        PHE  23 -18.887  16.337  11.849
  159    HA   PHE  23           HA       PHE  23 -18.803  16.458  14.806
  160    HB2  PHE  23           HB2      PHE  23 -17.107  15.313  13.146
  161    HB3  PHE  23           HB3      PHE  23 -16.478  16.942  12.929
  162    HD1  PHE  23           HD1      PHE  23 -17.517  14.569  15.662
  163    HD2  PHE  23           HD2      PHE  23 -14.698  17.567  14.371
  164    HE1  PHE  23           HE1      PHE  23 -16.209  14.223  17.734
  165    HE2  PHE  23           HE2      PHE  23 -13.378  17.213  16.445
  166    HZ   PHE  23           HZ       PHE  23 -14.139  15.549  18.135
  167    H    GLU  24           H        GLU  24 -19.458  18.645  12.323
  168    HA   GLU  24           HA       GLU  24 -19.866  20.824  12.260
  169    HB2  GLU  24           HB2      GLU  24 -19.618  20.794  15.301
  170    HB3  GLU  24           HB3      GLU  24 -20.413  22.019  14.317
  171    HG2  GLU  24           HG2      GLU  24 -22.035  20.327  13.496
  172    HG3  GLU  24           HG3      GLU  24 -21.289  19.121  14.554
  173    H    CYS  25           H        CYS  25 -17.105  20.039  12.021
  174    HA   CYS  25           HA       CYS  25 -15.621  22.523  12.793
  175    HB2  CYS  25           HB2      CYS  25 -13.612  21.172  12.595
  176    HB3  CYS  25           HB3      CYS  25 -14.778  20.275  13.569
  177    HG   CYS  25           HG       CYS  25 -13.854  19.909  10.400
  178    H    THR  26           H        THR  26 -13.729  22.887  11.045
  179    HA   THR  26           HA       THR  26 -14.968  23.198   8.361
  180    HB   THR  26           HB       THR  26 -12.854  24.429   7.833
  181    HG1  THR  26           HG1      THR  26 -11.597  24.987   9.696
  182   HG21  THR  26          HG21      THR  26 -14.882  25.625   8.643
  183   HG22  THR  26          HG22      THR  26 -14.298  25.462  10.316
  184   HG23  THR  26          HG23      THR  26 -13.378  26.425   9.138
  185    H    GLU  27           H        GLU  27 -14.016  22.340   6.477
  186    HA   GLU  27           HA       GLU  27 -13.233  19.611   6.630
  187    HB2  GLU  27           HB2      GLU  27 -12.927  21.654   4.388
  188    HB3  GLU  27           HB3      GLU  27 -12.634  19.924   4.198
  189    HG2  GLU  27           HG2      GLU  27 -14.965  19.422   4.800
  190    HG3  GLU  27           HG3      GLU  27 -15.297  21.138   5.058
  191    H    SER  28           H        SER  28 -11.197  22.527   5.999
  192    HA   SER  28           HA       SER  28  -8.757  21.252   5.585
  193    HB2  SER  28           HB2      SER  28  -9.196  23.916   6.992
  194    HB3  SER  28           HB3      SER  28  -7.733  23.395   6.138
  195    HG   SER  28           HG       SER  28  -9.059  24.741   4.829
  196    H    GLU  29           H        GLU  29 -10.318  21.912   8.732
  197    HA   GLU  29           HA       GLU  29  -7.959  21.223  10.306
  198    HB2  GLU  29           HB2      GLU  29 -10.906  21.492  10.982
  199    HB3  GLU  29           HB3      GLU  29  -9.682  21.067  12.169
  200    HG2  GLU  29           HG2      GLU  29  -9.586  23.622  10.519
  201    HG3  GLU  29           HG3      GLU  29 -10.285  23.498  12.134
  202    H    VAL  30           H        VAL  30 -10.584  19.361   8.823
  203    HA   VAL  30           HA       VAL  30 -10.089  16.883  10.292
  204    HB   VAL  30           HB       VAL  30 -11.178  17.078   7.458
  205   HG11  VAL  30          HG11      VAL  30 -10.575  14.817   8.176
  206   HG12  VAL  30          HG12      VAL  30 -11.519  15.014   9.668
  207   HG13  VAL  30          HG13      VAL  30 -12.331  14.979   8.087
  208   HG21  VAL  30          HG21      VAL  30 -12.552  18.561   8.832
  209   HG22  VAL  30          HG22      VAL  30 -13.444  17.105   8.444
  210   HG23  VAL  30          HG23      VAL  30 -12.721  17.298  10.066
  211    H    MET  31           H        MET  31  -9.093  18.231   7.132
  212    HA   MET  31           HA       MET  31  -7.342  16.103   6.371
  213    HB2  MET  31           HB2      MET  31  -7.232  19.052   5.588
  214    HB3  MET  31           HB3      MET  31  -6.429  17.715   4.760
  215    HG2  MET  31           HG2      MET  31  -8.698  16.685   4.335
  216    HG3  MET  31           HG3      MET  31  -9.441  18.097   5.071
  217    HE1  MET  31           HE1      MET  31  -6.418  17.680   2.456
  218    HE2  MET  31           HE2      MET  31  -7.721  16.561   1.981
  219    HE3  MET  31           HE3      MET  31  -7.329  17.964   0.966
  220    H    ASN  32           H        ASN  32  -6.620  19.150   8.168
  221    HA   ASN  32           HA       ASN  32  -3.859  18.971   8.281
  222    HB2  ASN  32           HB2      ASN  32  -5.204  20.872   9.092
  223    HB3  ASN  32           HB3      ASN  32  -5.755  19.922  10.472
  224   HD21  ASN  32          HD22      ASN  32  -3.081  21.770   9.122
  225   HD22  ASN  32          HD21      ASN  32  -2.055  21.658  10.541
  226    H    SER  33           H        SER  33  -6.033  17.582  10.879
  227    HA   SER  33           HA       SER  33  -3.881  16.367  12.255
  228    HB2  SER  33           HB2      SER  33  -6.802  15.560  12.286
  229    HB3  SER  33           HB3      SER  33  -5.556  15.066  13.451
  230    HG   SER  33           HG       SER  33  -6.615  16.841  14.318
  231    H    LEU  34           H        LEU  34  -5.321  15.259   9.316
  232    HA   LEU  34           HA       LEU  34  -4.353  12.473   9.661
  233    HB2  LEU  34           HB2      LEU  34  -6.017  13.903   7.543
  234    HB3  LEU  34           HB3      LEU  34  -5.557  12.208   7.433
  235    HG   LEU  34           HG       LEU  34  -7.141  13.315   9.801
  236   HD11  LEU  34          HD11      LEU  34  -9.152  12.610   8.737
  237   HD12  LEU  34          HD12      LEU  34  -8.337  13.738   7.668
  238   HD13  LEU  34          HD13      LEU  34  -8.273  11.998   7.311
  239   HD21  LEU  34          HD21      LEU  34  -6.795  10.482   8.712
  240   HD22  LEU  34          HD22      LEU  34  -6.056  11.120  10.195
  241   HD23  LEU  34          HD23      LEU  34  -7.816  10.951  10.089
  242    H    TYR  35           H        TYR  35  -3.468  15.484   8.118
  243    HA   TYR  35           HA       TYR  35  -1.546  14.164   6.282
  244    HB2  TYR  35           HB2      TYR  35  -3.214  15.861   5.515
  245    HB3  TYR  35           HB3      TYR  35  -2.442  17.059   6.540
  246    HD1  TYR  35           HD1      TYR  35  -2.033  14.872   3.554
  247    HD2  TYR  35           HD2      TYR  35  -0.386  18.154   5.820
  248    HE1  TYR  35           HE1      TYR  35  -0.506  15.411   1.666
  249    HE2  TYR  35           HE2      TYR  35   1.153  18.682   3.940
  250    HH   TYR  35           HH       TYR  35   1.828  18.125   1.821
  251    H    SER  36           H        SER  36  -1.548  16.530   8.965
  252    HA   SER  36           HA       SER  36   1.428  16.251   9.238
  253    HB2  SER  36           HB2      SER  36   1.543  18.718   9.496
  254    HB3  SER  36           HB3      SER  36   1.017  18.211   7.886
  255    HG   SER  36           HG       SER  36  -0.256  19.935   8.751
  256    H    GLY  37           H        GLY  37  -1.600  16.379  10.929
  257    HA2  GLY  37           HA2      GLY  37  -0.316  16.862  13.568
  258    HA3  GLY  37           HA3      GLY  37  -2.018  16.512  13.261
  259    H    ASP  38           H        ASP  38  -2.494  14.668  14.319
  260    HA   ASP  38           HA       ASP  38  -0.910  12.235  13.765
  261    HB2  ASP  38           HB2      ASP  38  -0.071  13.185  15.872
  262    HB3  ASP  38           HB3      ASP  38  -1.700  13.136  16.552
  263    HA   PRO  39           HA       PRO  39  -4.970  10.593  12.962
  264    HB2  PRO  39           HB2      PRO  39  -3.737   8.038  14.005
  265    HB3  PRO  39           HB3      PRO  39  -4.788   8.272  12.568
  266    HG2  PRO  39           HG2      PRO  39  -2.115   8.098  12.248
  267    HG3  PRO  39           HG3      PRO  39  -3.027   9.375  11.377
  268    HD2  PRO  39           HD2      PRO  39  -1.399   9.618  13.918
  269    HD3  PRO  39           HD3      PRO  39  -1.472  10.705  12.496
  270    H    GLN  40           H        GLN  40  -3.651  10.377  16.216
  271    HA   GLN  40           HA       GLN  40  -6.156   9.283  17.368
  272    HB2  GLN  40           HB2      GLN  40  -3.535  10.137  18.670
  273    HB3  GLN  40           HB3      GLN  40  -4.879   9.367  19.500
  274    HG2  GLN  40           HG2      GLN  40  -3.211   8.090  17.281
  275    HG3  GLN  40           HG3      GLN  40  -3.087   7.764  19.006
  276   HE21  GLN  40          HE22      GLN  40  -5.215   6.928  20.090
  277   HE22  GLN  40          HE21      GLN  40  -6.164   5.825  19.104
  278    H    ASP  41           H        ASP  41  -5.185  12.341  16.392
  279    HA   ASP  41           HA       ASP  41  -6.310  13.976  18.503
  280    HB2  ASP  41           HB2      ASP  41  -4.734  14.904  16.896
  281    HB3  ASP  41           HB3      ASP  41  -5.785  14.447  15.553
  282    H    GLN  42           H        GLN  42  -8.344  14.948  18.605
  283    HA   GLN  42           HA       GLN  42 -10.566  13.373  18.166
  284    HB2  GLN  42           HB2      GLN  42 -11.902  15.319  18.709
  285    HB3  GLN  42           HB3      GLN  42 -10.488  15.195  19.755
  286    HG2  GLN  42           HG2      GLN  42  -9.375  16.994  18.393
  287    HG3  GLN  42           HG3      GLN  42 -10.850  17.136  17.428
  288   HE21  GLN  42          HE22      GLN  42  -9.595  17.506  20.808
  289   HE22  GLN  42          HE21      GLN  42 -10.844  18.656  21.261
  290    H    LEU  43           H        LEU  43  -9.368  15.823  15.829
  291    HA   LEU  43           HA       LEU  43 -11.707  15.656  14.093
  292    HB2  LEU  43           HB2      LEU  43  -8.866  16.704  13.821
  293    HB3  LEU  43           HB3      LEU  43 -10.031  16.830  12.520
  294    HG   LEU  43           HG       LEU  43 -10.862  17.891  15.226
  295   HD11  LEU  43          HD11      LEU  43  -8.914  19.303  13.372
  296   HD12  LEU  43          HD12      LEU  43  -9.821  20.088  14.685
  297   HD13  LEU  43          HD13      LEU  43  -8.641  18.819  15.052
  298   HD21  LEU  43          HD21      LEU  43 -11.326  18.881  12.383
  299   HD22  LEU  43          HD22      LEU  43 -12.442  17.844  13.311
  300   HD23  LEU  43          HD23      LEU  43 -12.092  19.491  13.862
  301    H    ALA  44           H        ALA  44  -8.561  13.998  14.197
  302    HA   ALA  44           HA       ALA  44  -9.037  12.478  11.728
  303    HB1  ALA  44           HB1      ALA  44  -6.746  12.976  12.428
  304    HB2  ALA  44           HB2      ALA  44  -7.010  12.183  13.999
  305    HB3  ALA  44           HB3      ALA  44  -7.021  11.229  12.503
  306    H    VAL  45           H        VAL  45  -9.438  11.877  15.237
  307    HA   VAL  45           HA       VAL  45 -10.357   9.179  15.000
  308    HB   VAL  45           HB       VAL  45 -10.801  11.306  17.112
  309   HG11  VAL  45          HG11      VAL  45 -11.622   9.469  18.614
  310   HG12  VAL  45          HG12      VAL  45 -12.754   9.868  17.327
  311   HG13  VAL  45          HG13      VAL  45 -11.752   8.406  17.195
  312   HG21  VAL  45          HG21      VAL  45  -9.239   9.910  18.403
  313   HG22  VAL  45          HG22      VAL  45  -9.189   8.711  17.097
  314   HG23  VAL  45          HG23      VAL  45  -8.508  10.323  16.846
  315    H    ALA  46           H        ALA  46 -12.263  12.283  14.964
  316    HA   ALA  46           HA       ALA  46 -14.829  11.200  14.485
  317    HB1  ALA  46           HB1      ALA  46 -14.312  13.580  14.945
  318    HB2  ALA  46           HB2      ALA  46 -13.577  13.736  13.339
  319    HB3  ALA  46           HB3      ALA  46 -15.307  13.381  13.494
  320    H    TYR  47           H        TYR  47 -12.328  12.077  12.032
  321    HA   TYR  47           HA       TYR  47 -13.684  11.118   9.739
  322    HB2  TYR  47           HB2      TYR  47 -11.786  12.538   9.563
  323    HB3  TYR  47           HB3      TYR  47 -10.759  11.437  10.454
  324    HD1  TYR  47           HD1      TYR  47  -9.821   9.418   9.454
  325    HD2  TYR  47           HD2      TYR  47 -12.202  12.197   7.169
  326    HE1  TYR  47           HE1      TYR  47  -8.920   8.452   7.362
  327    HE2  TYR  47           HE2      TYR  47 -11.289  11.234   5.059
  328    HH   TYR  47           HH       TYR  47  -8.968   8.500   5.088
  329    H    HIS  48           H        HIS  48 -11.457   9.224  11.877
  330    HA   HIS  48           HA       HIS  48 -11.768   6.784  10.364
  331    HB2  HIS  48           HB2      HIS  48 -10.961   7.340  13.246
  332    HB3  HIS  48           HB3      HIS  48 -11.057   5.713  12.580
  333    HD1  HIS  48           HD1      HIS  48  -8.891   8.850  12.264
  334    HD2  HIS  48           HD2      HIS  48  -9.251   4.955  10.729
  335    HE1  HIS  48           HE1      HIS  48  -6.716   8.371  11.018
  336    H    LEU  49           H        LEU  49 -13.621   7.944  13.237
  337    HA   LEU  49           HA       LEU  49 -15.390   5.697  13.437
  338    HB2  LEU  49           HB2      LEU  49 -15.656   8.643  14.206
  339    HB3  LEU  49           HB3      LEU  49 -16.856   7.432  14.632
  340    HG   LEU  49           HG       LEU  49 -13.944   7.227  15.507
  341   HD11  LEU  49          HD11      LEU  49 -16.350   8.321  17.026
  342   HD12  LEU  49          HD12      LEU  49 -14.717   8.067  17.689
  343   HD13  LEU  49          HD13      LEU  49 -14.977   9.276  16.424
  344   HD21  LEU  49          HD21      LEU  49 -14.859   5.652  17.192
  345   HD22  LEU  49          HD22      LEU  49 -16.469   5.800  16.456
  346   HD23  LEU  49          HD23      LEU  49 -15.125   5.067  15.548
  347    H    ILE  50           H        ILE  50 -15.652   8.707  11.553
  348    HA   ILE  50           HA       ILE  50 -18.277   8.066  10.468
  349    HB   ILE  50           HB       ILE  50 -16.151  10.133   9.857
  350   HG12  ILE  50          HG12      ILE  50 -19.020  10.368  10.897
  351   HG13  ILE  50          HG13      ILE  50 -17.640  10.161  11.969
  352   HG21  ILE  50          HG21      ILE  50 -17.222   9.701   7.692
  353   HG22  ILE  50          HG22      ILE  50 -18.829   9.841   8.437
  354   HG23  ILE  50          HG23      ILE  50 -17.743  11.251   8.328
  355   HD11  ILE  50          HD11      ILE  50 -16.645  12.261  11.135
  356   HD12  ILE  50          HD12      ILE  50 -18.100  12.525  10.135
  357   HD13  ILE  50          HD13      ILE  50 -18.211  12.488  11.906
  358    H    ILE  51           H        ILE  51 -14.959   7.435   9.265
  359    HA   ILE  51           HA       ILE  51 -15.936   6.214   6.809
  360    HB   ILE  51           HB       ILE  51 -13.277   6.135   8.247
  361   HG12  ILE  51          HG12      ILE  51 -14.340   7.119   5.553
  362   HG13  ILE  51          HG13      ILE  51 -13.872   8.108   6.934
  363   HG21  ILE  51          HG21      ILE  51 -13.575   3.837   7.371
  364   HG22  ILE  51          HG22      ILE  51 -14.003   4.496   5.775
  365   HG23  ILE  51          HG23      ILE  51 -12.369   4.700   6.442
  366   HD11  ILE  51          HD11      ILE  51 -12.177   8.271   5.243
  367   HD12  ILE  51          HD12      ILE  51 -11.503   7.350   6.610
  368   HD13  ILE  51          HD13      ILE  51 -12.020   6.523   5.114
  369    H    ASP  52           H        ASP  52 -15.342   4.825  10.093
  370    HA   ASP  52           HA       ASP  52 -16.177   2.187   9.300
  371    HB2  ASP  52           HB2      ASP  52 -16.181   3.626  11.970
  372    HB3  ASP  52           HB3      ASP  52 -16.834   2.007  11.786
  373    H    ASN  53           H        ASN  53 -18.166   4.954  10.501
  374    HA   ASN  53           HA       ASN  53 -20.674   3.643  10.415
  375    HB2  ASN  53           HB2      ASN  53 -20.166   5.917  11.386
  376    HB3  ASN  53           HB3      ASN  53 -20.076   6.572   9.756
  377   HD21  ASN  53          HD22      ASN  53 -22.240   5.217  12.230
  378   HD22  ASN  53          HD21      ASN  53 -23.704   5.855  11.520
  379    H    ARG  54           H        ARG  54 -19.061   5.527   7.834
  380    HA   ARG  54           HA       ARG  54 -20.852   5.084   5.694
  381    HB2  ARG  54           HB2      ARG  54 -19.205   6.824   5.750
  382    HB3  ARG  54           HB3      ARG  54 -17.888   5.663   5.884
  383    HG2  ARG  54           HG2      ARG  54 -18.176   4.939   3.592
  384    HG3  ARG  54           HG3      ARG  54 -19.599   5.994   3.392
  385    HD2  ARG  54           HD2      ARG  54 -18.259   7.991   3.632
  386    HD3  ARG  54           HD3      ARG  54 -16.909   7.085   4.303
  387    HE   ARG  54           HE       ARG  54 -16.120   6.597   2.235
  388   HH11  ARG  54          HH21      ARG  54 -19.465   7.660   1.677
  389   HH12  ARG  54          HH22      ARG  54 -19.097   8.160   0.039
  390   HH21  ARG  54          HH11      ARG  54 -15.757   7.291   0.213
  391   HH22  ARG  54          HH12      ARG  54 -17.075   7.805  -0.824
  392    H    ARG  55           H        ARG  55 -18.021   3.155   6.655
  393    HA   ARG  55           HA       ARG  55 -18.147   1.320   4.434
  394    HB2  ARG  55           HB2      ARG  55 -16.087   1.970   5.512
  395    HB3  ARG  55           HB3      ARG  55 -16.628   1.322   7.067
  396    HG2  ARG  55           HG2      ARG  55 -16.443  -0.938   6.323
  397    HG3  ARG  55           HG3      ARG  55 -16.310  -0.444   4.623
  398    HD2  ARG  55           HD2      ARG  55 -14.128  -1.137   5.512
  399    HD3  ARG  55           HD3      ARG  55 -14.142   0.553   4.996
  400    HE   ARG  55           HE       ARG  55 -14.691   0.242   7.846
  401   HH11  ARG  55          HH11      ARG  55 -12.009   0.333   5.539
  402   HH12  ARG  55          HH12      ARG  55 -10.886   0.929   6.727
  403   HH21  ARG  55          HH21      ARG  55 -13.209   1.036   9.327
  404   HH22  ARG  55          HH22      ARG  55 -11.554   1.307   8.844
  405    H    ILE  56           H        ILE  56 -19.123   1.024   7.877
  406    HA   ILE  56           HA       ILE  56 -19.911  -1.798   7.515
  407    HB   ILE  56           HB       ILE  56 -20.030   0.004   9.967
  408   HG12  ILE  56          HG12      ILE  56 -18.014  -2.181   9.229
  409   HG13  ILE  56          HG13      ILE  56 -17.699  -0.457   9.060
  410   HG21  ILE  56          HG21      ILE  56 -20.368  -3.020   9.718
  411   HG22  ILE  56          HG22      ILE  56 -20.333  -2.105  11.236
  412   HG23  ILE  56          HG23      ILE  56 -21.655  -1.862  10.117
  413   HD11  ILE  56          HD11      ILE  56 -16.659  -1.158  11.071
  414   HD12  ILE  56          HD12      ILE  56 -18.058  -0.171  11.531
  415   HD13  ILE  56          HD13      ILE  56 -18.124  -1.944  11.667
  416    H    MET  57           H        MET  57 -21.643   1.125   8.637
  417    HA   MET  57           HA       MET  57 -24.118   0.596   7.327
  418    HB2  MET  57           HB2      MET  57 -24.040  -1.379   8.976
  419    HB3  MET  57           HB3      MET  57 -24.165  -0.208  10.276
  420    HG2  MET  57           HG2      MET  57 -26.169  -0.450   7.988
  421    HG3  MET  57           HG3      MET  57 -26.281  -1.379   9.470
  422    HE1  MET  57           HE1      MET  57 -28.599   0.409   8.251
  423    HE2  MET  57           HE2      MET  57 -28.775  -0.593   9.711
  424    HE3  MET  57           HE3      MET  57 -29.270   1.109   9.744
  425    H    ASN  58           H        ASN  58 -25.181   2.515   7.311
  426    HA   ASN  58           HA       ASN  58 -24.151   4.717   8.880
  427    HB2  ASN  58           HB2      ASN  58 -26.344   4.567   6.789
  428    HB3  ASN  58           HB3      ASN  58 -25.806   6.060   7.566
  429   HD21  ASN  58          HD21      ASN  58 -23.287   6.407   7.512
  430   HD22  ASN  58          HD22      ASN  58 -22.611   6.146   5.913
  431    H    GLN  59           H        GLN  59 -24.800   3.422  10.888
  432    HA   GLN  59           HA       GLN  59 -27.505   3.694  11.893
  433    HB2  GLN  59           HB2      GLN  59 -25.821   2.012  12.662
  434    HB3  GLN  59           HB3      GLN  59 -24.853   3.315  13.367
  435    HG2  GLN  59           HG2      GLN  59 -26.699   3.853  14.928
  436    HG3  GLN  59           HG3      GLN  59 -27.721   2.631  14.162
  437   HE21  GLN  59          HE22      GLN  59 -27.741   2.052  16.651
  438   HE22  GLN  59          HE21      GLN  59 -26.520   0.880  17.125
  439    H    ALA  60           H        ALA  60 -28.351   5.242  13.329
  440    HA   ALA  60           HA       ALA  60 -26.847   7.556  14.244
  441    HB1  ALA  60           HB1      ALA  60 -28.998   7.873  12.096
  442    HB2  ALA  60           HB2      ALA  60 -28.209   9.203  12.969
  443    HB3  ALA  60           HB3      ALA  60 -27.261   8.176  11.877
  444    H    SER  61           H        SER  61 -28.319   9.093  15.434
  445    HA   SER  61           HA       SER  61 -30.246   7.630  17.101
  446    HB2  SER  61           HB2      SER  61 -30.278   9.777  18.384
  447    HB3  SER  61           HB3      SER  61 -28.680   9.026  18.234
  448    HG   SER  61           HG       SER  61 -28.647  11.302  17.848
  449    H    GLU  62           H        GLU  62 -32.350   8.571  17.671
  450    HA   GLU  62           HA       GLU  62 -33.732  10.298  15.755
  451    HB2  GLU  62           HB2      GLU  62 -33.766   8.057  14.659
  452    HB3  GLU  62           HB3      GLU  62 -34.571   7.381  16.087
  453    HG2  GLU  62           HG2      GLU  62 -36.507   8.890  15.709
  454    HG3  GLU  62           HG3      GLU  62 -35.674   9.641  14.349
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1   6.926  -4.388   3.729
    2    H2   GLY   1           H2       GLY   1   6.810  -4.760   5.315
    3    H3   GLY   1           H3       GLY   1   5.923  -5.588   4.219
    4    HA2  GLY   1           HA2      GLY   1   5.618  -2.720   4.842
    5    HA3  GLY   1           HA3      GLY   1   4.660  -3.610   3.647
    6    HA   PRO   2           HA       PRO   2   2.611  -3.762   7.907
    7    HB2  PRO   2           HB2      PRO   2   0.478  -2.119   7.524
    8    HB3  PRO   2           HB3      PRO   2   2.105  -1.488   7.926
    9    HG2  PRO   2           HG2      PRO   2   0.846  -1.745   5.166
   10    HG3  PRO   2           HG3      PRO   2   1.624  -0.302   5.897
   11    HD2  PRO   2           HD2      PRO   2   2.966  -1.993   4.232
   12    HD3  PRO   2           HD3      PRO   2   3.779  -1.223   5.626
   13    H    HIS   3           H        HIS   3   0.539  -4.738   8.453
   14    HA   HIS   3           HA       HIS   3  -0.369  -6.685   6.474
   15    HB2  HIS   3           HB2      HIS   3  -1.554  -7.657   8.333
   16    HB3  HIS   3           HB3      HIS   3   0.068  -7.232   8.851
   17    HD1  HIS   3           HD1      HIS   3  -3.582  -6.057   9.308
   18    HD2  HIS   3           HD2      HIS   3   0.274  -5.521  10.899
   19    HE1  HIS   3           HE1      HIS   3  -3.876  -4.703  11.447
   20    H    MET   4           H        MET   4  -1.247  -3.536   6.770
   21    HA   MET   4           HA       MET   4  -3.882  -3.878   5.521
   22    HB2  MET   4           HB2      MET   4  -4.450  -3.923   7.894
   23    HB3  MET   4           HB3      MET   4  -3.476  -2.491   8.205
   24    HG2  MET   4           HG2      MET   4  -5.898  -2.024   8.145
   25    HG3  MET   4           HG3      MET   4  -4.975  -1.077   7.003
   26    HE1  MET   4           HE1      MET   4  -7.789  -4.598   5.874
   27    HE2  MET   4           HE2      MET   4  -6.209  -4.878   6.631
   28    HE3  MET   4           HE3      MET   4  -7.489  -4.025   7.529
   29    H    SER   5           H        SER   5  -4.304  -2.267   4.073
   30    HA   SER   5           HA       SER   5  -2.234  -0.242   3.545
   31    HB2  SER   5           HB2      SER   5  -3.668   0.177   1.528
   32    HB3  SER   5           HB3      SER   5  -3.073  -1.483   1.684
   33    HG   SER   5           HG       SER   5  -5.311  -1.374   1.121
   34    H    TYR   6           H        TYR   6  -5.426  -0.289   5.031
   35    HA   TYR   6           HA       TYR   6  -6.005   2.527   4.773
   36    HB2  TYR   6           HB2      TYR   6  -7.788   0.983   5.177
   37    HB3  TYR   6           HB3      TYR   6  -7.002   0.341   6.610
   38    HD1  TYR   6           HD1      TYR   6  -8.432   3.571   5.276
   39    HD2  TYR   6           HD2      TYR   6  -7.575   1.129   8.723
   40    HE1  TYR   6           HE1      TYR   6  -9.649   5.189   6.728
   41    HE2  TYR   6           HE2      TYR   6  -8.799   2.728  10.172
   42    HH   TYR   6           HH       TYR   6  -9.999   4.638  10.260
   43    H    ASP   7           H        ASP   7  -5.521   4.227   6.014
   44    HA   ASP   7           HA       ASP   7  -4.350   4.244   8.639
   45    HB2  ASP   7           HB2      ASP   7  -2.369   3.435   7.367
   46    HB3  ASP   7           HB3      ASP   7  -2.543   4.770   6.232
   47    H    ALA   8           H        ALA   8  -4.060   6.478   9.379
   48    HA   ALA   8           HA       ALA   8  -5.979   8.327   8.554
   49    HB1  ALA   8           HB1      ALA   8  -4.873   8.330  10.751
   50    HB2  ALA   8           HB2      ALA   8  -3.318   8.766   9.999
   51    HB3  ALA   8           HB3      ALA   8  -4.674   9.911   9.978
   52    H    ASN   9           H        ASN   9  -2.656   8.001   7.292
   53    HA   ASN   9           HA       ASN   9  -2.635  10.470   5.827
   54    HB2  ASN   9           HB2      ASN   9  -0.629   9.155   6.486
   55    HB3  ASN   9           HB3      ASN   9  -1.104   7.881   5.360
   56   HD21  ASN   9          HD22      ASN   9  -0.110   8.000   3.347
   57   HD22  ASN   9          HD21      ASN   9   0.525   9.480   2.658
   58    H    VAL  10           H        VAL  10  -4.302   7.493   5.189
   59    HA   VAL  10           HA       VAL  10  -4.569   8.008   2.265
   60    HB   VAL  10           HB       VAL  10  -5.557   5.608   3.871
   61   HG11  VAL  10          HG11      VAL  10  -5.329   6.085   0.860
   62   HG12  VAL  10          HG12      VAL  10  -5.824   4.568   1.637
   63   HG13  VAL  10          HG13      VAL  10  -6.845   6.004   1.772
   64   HG21  VAL  10          HG21      VAL  10  -3.682   4.408   2.732
   65   HG22  VAL  10          HG22      VAL  10  -3.073   5.961   2.137
   66   HG23  VAL  10          HG23      VAL  10  -3.110   5.623   3.879
   67    H    ILE  11           H        ILE  11  -5.715   9.920   2.548
   68    HA   ILE  11           HA       ILE  11  -8.043  10.103   4.247
   69    HB   ILE  11           HB       ILE  11  -6.217  11.891   3.174
   70   HG12  ILE  11          HG12      ILE  11  -8.883  12.484   4.483
   71   HG13  ILE  11          HG13      ILE  11  -7.392  12.028   5.297
   72   HG21  ILE  11          HG21      ILE  11  -7.283  13.494   1.775
   73   HG22  ILE  11          HG22      ILE  11  -7.536  11.929   1.008
   74   HG23  ILE  11          HG23      ILE  11  -8.861  12.699   1.923
   75   HD11  ILE  11          HD11      ILE  11  -7.797  14.589   3.697
   76   HD12  ILE  11          HD12      ILE  11  -7.737  14.445   5.451
   77   HD13  ILE  11          HD13      ILE  11  -6.284  14.092   4.492
   78    H    ASP  12           H        ASP  12 -10.222  10.921   3.518
   79    HA   ASP  12           HA       ASP  12 -10.956  10.147   0.768
   80    HB2  ASP  12           HB2      ASP  12 -11.558   8.271   2.476
   81    HB3  ASP  12           HB3      ASP  12 -12.827   9.383   3.011
   82    H    ASP  13           H        ASP  13 -11.951  11.748  -0.182
   83    HA   ASP  13           HA       ASP  13 -12.623  14.227   0.984
   84    HB2  ASP  13           HB2      ASP  13 -12.118  13.879  -1.395
   85    HB3  ASP  13           HB3      ASP  13 -13.573  12.898  -1.586
   86    H    GLU  14           H        GLU  14 -14.656  11.295   0.522
   87    HA   GLU  14           HA       GLU  14 -17.138  12.686   1.152
   88    HB2  GLU  14           HB2      GLU  14 -16.535   9.706   1.204
   89    HB3  GLU  14           HB3      GLU  14 -18.120  10.459   1.386
   90    HG2  GLU  14           HG2      GLU  14 -17.723  11.570  -0.891
   91    HG3  GLU  14           HG3      GLU  14 -16.359  10.462  -1.090
   92    H    ALA  15           H        ALA  15 -14.776  10.801   3.066
   93    HA   ALA  15           HA       ALA  15 -16.299  10.969   5.526
   94    HB1  ALA  15           HB1      ALA  15 -14.216  10.178   6.578
   95    HB2  ALA  15           HB2      ALA  15 -14.578   9.242   5.110
   96    HB3  ALA  15           HB3      ALA  15 -13.307  10.484   5.084
   97    H    VAL  16           H        VAL  16 -13.484  12.841   4.284
   98    HA   VAL  16           HA       VAL  16 -13.156  14.524   6.544
   99    HB   VAL  16           HB       VAL  16 -12.530  14.951   3.598
  100   HG11  VAL  16          HG11      VAL  16 -12.676  17.193   4.642
  101   HG12  VAL  16          HG12      VAL  16 -11.576  16.671   5.934
  102   HG13  VAL  16          HG13      VAL  16 -11.015  16.763   4.249
  103   HG21  VAL  16          HG21      VAL  16 -10.675  14.363   5.946
  104   HG22  VAL  16          HG22      VAL  16 -11.280  13.125   4.846
  105   HG23  VAL  16          HG23      VAL  16 -10.248  14.417   4.224
  106    H    LYS  17           H        LYS  17 -15.055  15.131   3.515
  107    HA   LYS  17           HA       LYS  17 -16.003  17.688   4.399
  108    HB2  LYS  17           HB2      LYS  17 -15.714  16.626   2.060
  109    HB3  LYS  17           HB3      LYS  17 -17.342  15.965   2.299
  110    HG2  LYS  17           HG2      LYS  17 -18.122  18.365   2.673
  111    HG3  LYS  17           HG3      LYS  17 -16.476  18.901   2.318
  112    HD2  LYS  17           HD2      LYS  17 -18.482  17.584   0.471
  113    HD3  LYS  17           HD3      LYS  17 -17.746  19.170   0.297
  114    HE2  LYS  17           HE2      LYS  17 -16.336  16.468  -0.002
  115    HE3  LYS  17           HE3      LYS  17 -16.878  17.485  -1.332
  116    HZ1  LYS  17           HZ1      LYS  17 -14.825  18.376   0.647
  117    HZ2  LYS  17           HZ2      LYS  17 -14.484  17.652  -0.770
  118    HZ3  LYS  17           HZ3      LYS  17 -15.245  19.119  -0.757
  119    H    GLU  18           H        GLU  18 -17.219  14.426   5.038
  120    HA   GLU  18           HA       GLU  18 -19.744  15.427   6.131
  121    HB2  GLU  18           HB2      GLU  18 -19.496  13.195   5.069
  122    HB3  GLU  18           HB3      GLU  18 -18.547  12.661   6.464
  123    HG2  GLU  18           HG2      GLU  18 -20.466  13.118   7.944
  124    HG3  GLU  18           HG3      GLU  18 -21.374  13.817   6.605
  125    H    VAL  19           H        VAL  19 -16.522  14.518   7.562
  126    HA   VAL  19           HA       VAL  19 -17.212  14.872  10.280
  127    HB   VAL  19           HB       VAL  19 -14.665  15.877   8.977
  128   HG11  VAL  19          HG11      VAL  19 -13.672  15.624  11.286
  129   HG12  VAL  19          HG12      VAL  19 -14.879  16.907  11.201
  130   HG13  VAL  19          HG13      VAL  19 -15.302  15.334  11.907
  131   HG21  VAL  19          HG21      VAL  19 -13.595  13.829   9.775
  132   HG22  VAL  19          HG22      VAL  19 -15.121  13.273  10.486
  133   HG23  VAL  19          HG23      VAL  19 -14.935  13.405   8.727
  134    H    CYS  20           H        CYS  20 -16.690  17.452   7.829
  135    HA   CYS  20           HA       CYS  20 -16.843  19.733   9.430
  136    HB2  CYS  20           HB2      CYS  20 -18.168  19.365   6.707
  137    HB3  CYS  20           HB3      CYS  20 -17.616  20.874   7.440
  138    HG   CYS  20           HG       CYS  20 -15.980  20.174   5.511
  139    H    GLU  21           H        GLU  21 -19.492  17.549   8.496
  140    HA   GLU  21           HA       GLU  21 -21.592  19.378   9.532
  141    HB2  GLU  21           HB2      GLU  21 -21.859  18.303   7.316
  142    HB3  GLU  21           HB3      GLU  21 -21.812  16.708   8.081
  143    HG2  GLU  21           HG2      GLU  21 -23.852  17.248   9.372
  144    HG3  GLU  21           HG3      GLU  21 -23.860  18.886   8.701
  145    H    LYS  22           H        LYS  22 -20.528  15.944   9.967
  146    HA   LYS  22           HA       LYS  22 -22.212  15.321  12.175
  147    HB2  LYS  22           HB2      LYS  22 -19.536  14.287  11.156
  148    HB3  LYS  22           HB3      LYS  22 -20.301  13.554  12.558
  149    HG2  LYS  22           HG2      LYS  22 -21.746  13.784   9.894
  150    HG3  LYS  22           HG3      LYS  22 -20.685  12.427  10.292
  151    HD2  LYS  22           HD2      LYS  22 -22.035  11.820  12.225
  152    HD3  LYS  22           HD3      LYS  22 -23.102  13.222  11.959
  153    HE2  LYS  22           HE2      LYS  22 -23.715  12.326   9.719
  154    HE3  LYS  22           HE3      LYS  22 -22.649  10.935   9.980
  155    HZ1  LYS  22           HZ1      LYS  22 -24.962  10.403  10.503
  156    HZ2  LYS  22           HZ2      LYS  22 -24.065  10.300  11.869
  157    HZ3  LYS  22           HZ3      LYS  22 -25.042  11.591  11.620
  158    H    PHE  23           H        PHE  23 -18.938  16.657  12.119
  159    HA   PHE  23           HA       PHE  23 -18.836  16.765  15.091
  160    HB2  PHE  23           HB2      PHE  23 -17.162  15.619  13.269
  161    HB3  PHE  23           HB3      PHE  23 -16.425  17.210  13.375
  162    HD1  PHE  23           HD1      PHE  23 -17.671  14.315  15.396
  163    HD2  PHE  23           HD2      PHE  23 -14.955  17.655  15.225
  164    HE1  PHE  23           HE1      PHE  23 -16.536  13.487  17.433
  165    HE2  PHE  23           HE2      PHE  23 -13.805  16.829  17.251
  166    HZ   PHE  23           HZ       PHE  23 -14.591  14.732  18.374
  167    H    GLU  24           H        GLU  24 -19.628  18.890  12.675
  168    HA   GLU  24           HA       GLU  24 -19.805  21.113  12.471
  169    HB2  GLU  24           HB2      GLU  24 -19.343  21.198  15.481
  170    HB3  GLU  24           HB3      GLU  24 -20.075  22.457  14.488
  171    HG2  GLU  24           HG2      GLU  24 -21.901  20.886  13.845
  172    HG3  GLU  24           HG3      GLU  24 -21.225  19.674  14.938
  173    H    CYS  25           H        CYS  25 -17.207  20.069  11.968
  174    HA   CYS  25           HA       CYS  25 -15.369  22.320  12.680
  175    HB2  CYS  25           HB2      CYS  25 -14.876  19.830  13.247
  176    HB3  CYS  25           HB3      CYS  25 -14.556  19.629  11.515
  177    HG   CYS  25           HG       CYS  25 -13.192  21.709  13.743
  178    H    THR  26           H        THR  26 -13.502  21.983  10.610
  179    HA   THR  26           HA       THR  26 -14.958  22.605   8.074
  180    HB   THR  26           HB       THR  26 -13.268  24.345   7.577
  181    HG1  THR  26           HG1      THR  26 -12.068  25.103   9.411
  182   HG21  THR  26          HG21      THR  26 -15.464  24.981   8.588
  183   HG22  THR  26          HG22      THR  26 -14.724  24.907  10.204
  184   HG23  THR  26          HG23      THR  26 -14.155  26.095   9.011
  185    H    GLU  27           H        GLU  27 -13.924  22.079   6.178
  186    HA   GLU  27           HA       GLU  27 -12.626  19.599   6.183
  187    HB2  GLU  27           HB2      GLU  27 -13.879  20.231   4.316
  188    HB3  GLU  27           HB3      GLU  27 -12.993  21.746   4.082
  189    HG2  GLU  27           HG2      GLU  27 -11.077  20.595   3.218
  190    HG3  GLU  27           HG3      GLU  27 -11.720  19.023   3.694
  191    H    SER  28           H        SER  28 -11.098  22.850   5.730
  192    HA   SER  28           HA       SER  28  -8.448  21.928   5.406
  193    HB2  SER  28           HB2      SER  28  -9.358  24.481   6.788
  194    HB3  SER  28           HB3      SER  28  -7.773  24.178   6.056
  195    HG   SER  28           HG       SER  28  -9.144  25.347   4.639
  196    H    GLU  29           H        GLU  29 -10.297  22.329   8.457
  197    HA   GLU  29           HA       GLU  29  -7.881  21.990  10.119
  198    HB2  GLU  29           HB2      GLU  29 -10.846  22.129  10.760
  199    HB3  GLU  29           HB3      GLU  29  -9.611  21.827  11.977
  200    HG2  GLU  29           HG2      GLU  29  -9.691  24.309  10.207
  201    HG3  GLU  29           HG3      GLU  29 -10.337  24.211  11.846
  202    H    VAL  30           H        VAL  30 -10.658  20.022   9.044
  203    HA   VAL  30           HA       VAL  30  -9.925  17.634  10.482
  204    HB   VAL  30           HB       VAL  30 -11.558  18.000   7.942
  205   HG11  VAL  30          HG11      VAL  30 -11.342  15.549   9.760
  206   HG12  VAL  30          HG12      VAL  30 -12.492  15.761   8.418
  207   HG13  VAL  30          HG13      VAL  30 -10.771  15.646   8.081
  208   HG21  VAL  30          HG21      VAL  30 -12.452  17.537  10.825
  209   HG22  VAL  30          HG22      VAL  30 -12.468  19.106  10.031
  210   HG23  VAL  30          HG23      VAL  30 -13.493  17.822   9.407
  211    H    MET  31           H        MET  31  -9.063  18.779   7.173
  212    HA   MET  31           HA       MET  31  -7.449  16.515   6.478
  213    HB2  MET  31           HB2      MET  31  -7.371  19.423   5.579
  214    HB3  MET  31           HB3      MET  31  -6.316  18.165   4.925
  215    HG2  MET  31           HG2      MET  31  -8.319  16.834   4.259
  216    HG3  MET  31           HG3      MET  31  -9.349  18.117   4.872
  217    HE1  MET  31           HE1      MET  31  -7.059  16.853   2.034
  218    HE2  MET  31           HE2      MET  31  -6.777  18.294   1.035
  219    HE3  MET  31           HE3      MET  31  -6.019  18.168   2.630
  220    H    ASN  32           H        ASN  32  -6.542  19.508   8.314
  221    HA   ASN  32           HA       ASN  32  -3.810  19.236   8.190
  222    HB2  ASN  32           HB2      ASN  32  -5.026  21.122   9.230
  223    HB3  ASN  32           HB3      ASN  32  -5.394  20.114  10.637
  224   HD21  ASN  32          HD22      ASN  32  -2.750  21.725   8.831
  225   HD22  ASN  32          HD21      ASN  32  -1.596  21.637  10.149
  226    H    SER  33           H        SER  33  -5.702  17.718  10.930
  227    HA   SER  33           HA       SER  33  -3.501  16.343  12.056
  228    HB2  SER  33           HB2      SER  33  -6.355  15.311  12.014
  229    HB3  SER  33           HB3      SER  33  -5.087  14.967  13.202
  230    HG   SER  33           HG       SER  33  -6.596  16.586  13.929
  231    H    LEU  34           H        LEU  34  -5.450  15.465   9.255
  232    HA   LEU  34           HA       LEU  34  -4.504  12.675   9.161
  233    HB2  LEU  34           HB2      LEU  34  -6.312  14.376   7.389
  234    HB3  LEU  34           HB3      LEU  34  -5.992  12.658   7.133
  235    HG   LEU  34           HG       LEU  34  -7.319  13.830   9.625
  236   HD11  LEU  34          HD11      LEU  34  -9.408  12.989   8.757
  237   HD12  LEU  34          HD12      LEU  34  -8.703  14.096   7.574
  238   HD13  LEU  34          HD13      LEU  34  -8.611  12.343   7.307
  239   HD21  LEU  34          HD21      LEU  34  -6.951  10.948   8.713
  240   HD22  LEU  34          HD22      LEU  34  -6.231  11.715  10.150
  241   HD23  LEU  34          HD23      LEU  34  -7.974  11.469  10.067
  242    H    TYR  35           H        TYR  35  -3.622  15.786   7.785
  243    HA   TYR  35           HA       TYR  35  -1.774  14.644   5.789
  244    HB2  TYR  35           HB2      TYR  35  -2.910  16.808   5.443
  245    HB3  TYR  35           HB3      TYR  35  -2.179  17.450   6.907
  246    HD1  TYR  35           HD2      TYR  35  -1.414  16.156   3.482
  247    HD2  TYR  35           HD1      TYR  35   0.023  18.408   6.872
  248    HE1  TYR  35           HE2      TYR  35   0.551  16.897   2.152
  249    HE2  TYR  35           HE1      TYR  35   1.992  19.153   5.547
  250    HH   TYR  35           HH       TYR  35   2.472  18.136   2.132
  251    H    SER  36           H        SER  36  -1.723  15.900   9.075
  252    HA   SER  36           HA       SER  36   1.138  15.584   9.577
  253    HB2  SER  36           HB2      SER  36  -1.176  15.550  11.567
  254    HB3  SER  36           HB3      SER  36   0.533  15.835  11.921
  255    HG   SER  36           HG       SER  36  -1.234  17.509  10.417
  256    H    GLY  37           H        GLY  37  -1.721  13.486   9.879
  257    HA2  GLY  37           HA2      GLY  37  -1.706  11.203   9.320
  258    HA3  GLY  37           HA3      GLY  37   0.044  11.107   9.646
  259    H    ASP  38           H        ASP  38  -2.149  12.593  11.975
  260    HA   ASP  38           HA       ASP  38  -1.468  10.428  13.904
  261    HB2  ASP  38           HB2      ASP  38  -0.756  12.666  14.502
  262    HB3  ASP  38           HB3      ASP  38  -2.413  13.262  14.372
  263    HA   PRO  39           HA       PRO  39  -5.896   9.408  13.411
  264    HB2  PRO  39           HB2      PRO  39  -5.892   6.914  14.497
  265    HB3  PRO  39           HB3      PRO  39  -5.189   7.263  12.889
  266    HG2  PRO  39           HG2      PRO  39  -3.750   7.079  15.556
  267    HG3  PRO  39           HG3      PRO  39  -3.329   6.260  14.017
  268    HD2  PRO  39           HD2      PRO  39  -2.138   8.582  14.773
  269    HD3  PRO  39           HD3      PRO  39  -2.523   8.251  13.057
  270    H    GLN  40           H        GLN  40  -4.148  10.136  16.281
  271    HA   GLN  40           HA       GLN  40  -6.208   9.210  18.186
  272    HB2  GLN  40           HB2      GLN  40  -3.621  10.759  18.595
  273    HB3  GLN  40           HB3      GLN  40  -4.601  10.044  19.868
  274    HG2  GLN  40           HG2      GLN  40  -4.074   7.811  19.228
  275    HG3  GLN  40           HG3      GLN  40  -3.407   8.308  17.670
  276   HE21  GLN  40          HE22      GLN  40  -1.507   9.926  17.814
  277   HE22  GLN  40          HE21      GLN  40  -0.288   9.518  19.032
  278    H    ASP  41           H        ASP  41  -5.548  12.116  16.446
  279    HA   ASP  41           HA       ASP  41  -6.627  14.059  18.291
  280    HB2  ASP  41           HB2      ASP  41  -5.112  14.721  16.519
  281    HB3  ASP  41           HB3      ASP  41  -6.184  14.043  15.286
  282    H    GLN  42           H        GLN  42  -8.690  15.025  18.319
  283    HA   GLN  42           HA       GLN  42 -10.913  13.299  18.072
  284    HB2  GLN  42           HB2      GLN  42 -10.805  16.347  18.185
  285    HB3  GLN  42           HB3      GLN  42 -12.263  15.376  18.394
  286    HG2  GLN  42           HG2      GLN  42 -11.256  14.250  20.370
  287    HG3  GLN  42           HG3      GLN  42  -9.806  15.243  20.199
  288   HE21  GLN  42          HE22      GLN  42 -13.344  15.410  20.909
  289   HE22  GLN  42          HE21      GLN  42 -13.228  16.959  21.731
  290    H    LEU  43           H        LEU  43  -9.717  15.670  15.623
  291    HA   LEU  43           HA       LEU  43 -12.063  15.299  13.923
  292    HB2  LEU  43           HB2      LEU  43  -9.321  16.396  13.173
  293    HB3  LEU  43           HB3      LEU  43 -10.830  16.611  12.305
  294    HG   LEU  43           HG       LEU  43 -10.155  17.767  15.050
  295   HD11  LEU  43          HD11      LEU  43  -9.003  18.851  13.163
  296   HD12  LEU  43          HD12      LEU  43 -10.563  19.104  12.350
  297   HD13  LEU  43          HD13      LEU  43 -10.211  19.926  13.888
  298   HD21  LEU  43          HD21      LEU  43 -12.306  19.006  14.825
  299   HD22  LEU  43          HD22      LEU  43 -12.701  18.028  13.390
  300   HD23  LEU  43          HD23      LEU  43 -12.544  17.265  14.988
  301    H    ALA  44           H        ALA  44  -8.876  13.768  14.170
  302    HA   ALA  44           HA       ALA  44  -9.226  12.118  11.791
  303    HB1  ALA  44           HB1      ALA  44  -7.249  10.962  12.599
  304    HB2  ALA  44           HB2      ALA  44  -6.998  12.714  12.734
  305    HB3  ALA  44           HB3      ALA  44  -7.367  11.752  14.186
  306    H    VAL  45           H        VAL  45  -9.780  11.632  15.298
  307    HA   VAL  45           HA       VAL  45 -10.861   9.003  15.144
  308    HB   VAL  45           HB       VAL  45 -11.392  11.287  17.064
  309   HG11  VAL  45          HG11      VAL  45 -12.487   8.451  17.228
  310   HG12  VAL  45          HG12      VAL  45 -12.442   9.602  18.585
  311   HG13  VAL  45          HG13      VAL  45 -13.422   9.964  17.168
  312   HG21  VAL  45          HG21      VAL  45  -9.139  10.221  17.135
  313   HG22  VAL  45          HG22      VAL  45 -10.060   9.918  18.613
  314   HG23  VAL  45          HG23      VAL  45  -9.907   8.642  17.385
  315    H    ALA  46           H        ALA  46 -12.579  12.189  14.744
  316    HA   ALA  46           HA       ALA  46 -15.124  11.111  14.117
  317    HB1  ALA  46           HB1      ALA  46 -13.821  13.652  13.064
  318    HB2  ALA  46           HB2      ALA  46 -15.561  13.293  13.157
  319    HB3  ALA  46           HB3      ALA  46 -14.614  13.481  14.642
  320    H    TYR  47           H        TYR  47 -12.452  11.943  11.811
  321    HA   TYR  47           HA       TYR  47 -13.635  10.960   9.429
  322    HB2  TYR  47           HB2      TYR  47 -11.700  12.099   9.035
  323    HB3  TYR  47           HB3      TYR  47 -10.891  11.492  10.453
  324    HD1  TYR  47           HD1      TYR  47  -9.697   9.333  10.469
  325    HD2  TYR  47           HD2      TYR  47 -11.392  10.957   6.853
  326    HE1  TYR  47           HE1      TYR  47  -8.292   7.806   9.151
  327    HE2  TYR  47           HE2      TYR  47  -9.934   9.448   5.514
  328    HH   TYR  47           HH       TYR  47  -8.263   7.781   5.584
  329    H    HIS  48           H        HIS  48 -11.736   9.094  11.860
  330    HA   HIS  48           HA       HIS  48 -11.935   6.600  10.497
  331    HB2  HIS  48           HB2      HIS  48 -10.395   7.291  12.416
  332    HB3  HIS  48           HB3      HIS  48 -11.741   6.992  13.513
  333    HD1  HIS  48           HD1      HIS  48 -12.784   4.149  12.504
  334    HD2  HIS  48           HD2      HIS  48  -8.750   5.375  12.745
  335    HE1  HIS  48           HE1      HIS  48 -11.399   2.038  12.578
  336    H    LEU  49           H        LEU  49 -14.035   7.924  13.121
  337    HA   LEU  49           HA       LEU  49 -15.858   5.722  13.249
  338    HB2  LEU  49           HB2      LEU  49 -16.098   8.690  13.919
  339    HB3  LEU  49           HB3      LEU  49 -17.364   7.527  14.294
  340    HG   LEU  49           HG       LEU  49 -14.521   7.238  15.360
  341   HD11  LEU  49          HD11      LEU  49 -15.365   8.219  17.460
  342   HD12  LEU  49          HD12      LEU  49 -15.476   9.380  16.130
  343   HD13  LEU  49          HD13      LEU  49 -16.936   8.536  16.697
  344   HD21  LEU  49          HD21      LEU  49 -15.610   5.780  17.037
  345   HD22  LEU  49          HD22      LEU  49 -17.172   6.003  16.224
  346   HD23  LEU  49          HD23      LEU  49 -15.841   5.157  15.402
  347    H    ILE  50           H        ILE  50 -15.920   8.675  11.214
  348    HA   ILE  50           HA       ILE  50 -18.459   8.012   9.953
  349    HB   ILE  50           HB       ILE  50 -16.164   9.851   9.204
  350   HG12  ILE  50          HG12      ILE  50 -19.058  10.308  10.122
  351   HG13  ILE  50          HG13      ILE  50 -17.635  10.423  11.154
  352   HG21  ILE  50          HG21      ILE  50 -18.778   9.453   7.673
  353   HG22  ILE  50          HG22      ILE  50 -17.618  10.770   7.403
  354   HG23  ILE  50          HG23      ILE  50 -17.139   9.115   7.068
  355   HD11  ILE  50          HD11      ILE  50 -16.801  12.200   9.450
  356   HD12  ILE  50          HD12      ILE  50 -18.495  12.284   8.954
  357   HD13  ILE  50          HD13      ILE  50 -18.045  12.638  10.636
  358    H    ILE  51           H        ILE  51 -15.075   7.180   9.069
  359    HA   ILE  51           HA       ILE  51 -15.880   5.728   6.681
  360    HB   ILE  51           HB       ILE  51 -13.358   5.732   8.369
  361   HG12  ILE  51          HG12      ILE  51 -14.062   6.617   5.521
  362   HG13  ILE  51          HG13      ILE  51 -13.906   7.682   6.911
  363   HG21  ILE  51          HG21      ILE  51 -13.587   3.428   7.506
  364   HG22  ILE  51          HG22      ILE  51 -13.862   4.059   5.862
  365   HG23  ILE  51          HG23      ILE  51 -12.296   4.271   6.676
  366   HD11  ILE  51          HD11      ILE  51 -11.941   7.886   5.571
  367   HD12  ILE  51          HD12      ILE  51 -11.490   7.058   7.084
  368   HD13  ILE  51          HD13      ILE  51 -11.664   6.143   5.561
  369    H    ASP  52           H        ASP  52 -15.511   4.665  10.088
  370    HA   ASP  52           HA       ASP  52 -16.223   1.932   9.640
  371    HB2  ASP  52           HB2      ASP  52 -16.735   3.724  12.047
  372    HB3  ASP  52           HB3      ASP  52 -16.994   1.985  12.017
  373    H    ASN  53           H        ASN  53 -18.357   4.765  10.321
  374    HA   ASN  53           HA       ASN  53 -20.821   3.293  10.170
  375    HB2  ASN  53           HB2      ASN  53 -20.067   6.224  10.022
  376    HB3  ASN  53           HB3      ASN  53 -21.695   5.722   9.580
  377   HD21  ASN  53          HD22      ASN  53 -19.334   5.599  12.286
  378   HD22  ASN  53          HD21      ASN  53 -20.570   5.400  13.524
  379    H    ARG  54           H        ARG  54 -19.002   5.076   7.664
  380    HA   ARG  54           HA       ARG  54 -20.798   4.676   5.495
  381    HB2  ARG  54           HB2      ARG  54 -19.071   6.376   5.628
  382    HB3  ARG  54           HB3      ARG  54 -17.809   5.141   5.667
  383    HG2  ARG  54           HG2      ARG  54 -18.261   4.538   3.336
  384    HG3  ARG  54           HG3      ARG  54 -19.614   5.698   3.279
  385    HD2  ARG  54           HD2      ARG  54 -18.115   7.562   3.724
  386    HD3  ARG  54           HD3      ARG  54 -16.770   6.473   4.060
  387    HE   ARG  54           HE       ARG  54 -18.030   6.913   1.367
  388   HH11  ARG  54          HH11      ARG  54 -15.076   5.939   3.140
  389   HH12  ARG  54          HH12      ARG  54 -14.086   6.402   1.766
  390   HH21  ARG  54          HH21      ARG  54 -16.614   7.411  -0.267
  391   HH22  ARG  54          HH22      ARG  54 -14.886   7.200  -0.012
  392    H    ARG  55           H        ARG  55 -18.074   2.682   6.629
  393    HA   ARG  55           HA       ARG  55 -18.290   0.727   4.511
  394    HB2  ARG  55           HB2      ARG  55 -16.193   1.339   5.665
  395    HB3  ARG  55           HB3      ARG  55 -16.824   0.707   7.179
  396    HG2  ARG  55           HG2      ARG  55 -15.338  -0.895   6.395
  397    HG3  ARG  55           HG3      ARG  55 -16.920  -1.586   6.099
  398    HD2  ARG  55           HD2      ARG  55 -15.247  -0.157   3.979
  399    HD3  ARG  55           HD3      ARG  55 -15.155  -1.885   4.267
  400    HE   ARG  55           HE       ARG  55 -17.203  -0.453   2.815
  401   HH11  ARG  55          HH21      ARG  55 -16.651  -3.463   4.604
  402   HH12  ARG  55          HH22      ARG  55 -17.933  -4.293   3.770
  403   HH21  ARG  55          HH11      ARG  55 -18.852  -1.577   1.807
  404   HH22  ARG  55          HH12      ARG  55 -19.163  -3.235   2.215
  405    H    ILE  56           H        ILE  56 -19.091   0.555   8.030
  406    HA   ILE  56           HA       ILE  56 -20.262  -2.154   7.647
  407    HB   ILE  56           HB       ILE  56 -19.722  -0.543  10.178
  408   HG12  ILE  56          HG12      ILE  56 -17.596  -0.943   9.071
  409   HG13  ILE  56          HG13      ILE  56 -17.741  -1.919  10.514
  410   HG21  ILE  56          HG21      ILE  56 -20.433  -3.481   9.800
  411   HG22  ILE  56          HG22      ILE  56 -19.824  -2.776  11.311
  412   HG23  ILE  56          HG23      ILE  56 -21.369  -2.235  10.656
  413   HD11  ILE  56          HD11      ILE  56 -18.224  -3.933   9.148
  414   HD12  ILE  56          HD12      ILE  56 -18.108  -2.956   7.664
  415   HD13  ILE  56          HD13      ILE  56 -16.688  -3.181   8.696
  416    H    MET  57           H        MET  57 -21.389   1.038   8.695
  417    HA   MET  57           HA       MET  57 -24.125  -0.056   9.212
  418    HB2  MET  57           HB2      MET  57 -22.875   2.510  10.264
  419    HB3  MET  57           HB3      MET  57 -24.423   1.811  10.728
  420    HG2  MET  57           HG2      MET  57 -23.262  -0.188  11.622
  421    HG3  MET  57           HG3      MET  57 -21.703   0.534  11.213
  422    HE1  MET  57           HE1      MET  57 -20.795   0.155  13.608
  423    HE2  MET  57           HE2      MET  57 -21.645   0.660  15.081
  424    HE3  MET  57           HE3      MET  57 -22.345  -0.602  14.047
  425    H    ASN  58           H        ASN  58 -23.302   0.513   6.533
  426    HA   ASN  58           HA       ASN  58 -23.829   3.107   5.630
  427    HB2  ASN  58           HB2      ASN  58 -22.573   1.271   4.464
  428    HB3  ASN  58           HB3      ASN  58 -24.107   0.487   4.102
  429   HD21  ASN  58          HD22      ASN  58 -24.502   0.796   1.910
  430   HD22  ASN  58          HD21      ASN  58 -24.296   2.329   1.081
  431    H    GLN  59           H        GLN  59 -26.206   0.700   6.468
  432    HA   GLN  59           HA       GLN  59 -28.411   2.510   5.956
  433    HB2  GLN  59           HB2      GLN  59 -29.669   0.823   4.525
  434    HB3  GLN  59           HB3      GLN  59 -28.424   1.768   3.722
  435    HG2  GLN  59           HG2      GLN  59 -26.904  -0.082   3.606
  436    HG3  GLN  59           HG3      GLN  59 -27.851  -1.038   4.745
  437   HE21  GLN  59          HE22      GLN  59 -29.670  -2.222   3.995
  438   HE22  GLN  59          HE21      GLN  59 -30.067  -2.307   2.278
  439    H    ALA  60           H        ALA  60 -30.043   2.146   7.388
  440    HA   ALA  60           HA       ALA  60 -29.679   0.379   9.557
  441    HB1  ALA  60           HB1      ALA  60 -30.956   2.492   9.644
  442    HB2  ALA  60           HB2      ALA  60 -32.203   1.799   8.577
  443    HB3  ALA  60           HB3      ALA  60 -31.950   1.134  10.201
  444    H    SER  61           H        SER  61 -31.595  -0.025   6.617
  445    HA   SER  61           HA       SER  61 -32.341  -1.862   5.504
  446    HB2  SER  61           HB2      SER  61 -30.743  -3.529   7.476
  447    HB3  SER  61           HB3      SER  61 -31.281  -3.989   5.860
  448    HG   SER  61           HG       SER  61 -29.377  -1.978   6.557
  449    H    GLU  62           H        GLU  62 -33.633  -1.087   8.316
  450    HA   GLU  62           HA       GLU  62 -35.924  -2.904   8.077
  451    HB2  GLU  62           HB2      GLU  62 -34.340  -4.146   9.548
  452    HB3  GLU  62           HB3      GLU  62 -34.313  -2.776  10.663
  453    HG2  GLU  62           HG2      GLU  62 -36.751  -3.070  11.072
  454    HG3  GLU  62           HG3      GLU  62 -36.794  -4.379   9.889
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -0.920  -2.581 -15.981
    2    H2   GLY   1           H2       GLY   1  -2.496  -2.292 -16.322
    3    H3   GLY   1           H3       GLY   1  -1.340  -1.955 -17.434
    4    HA2  GLY   1           HA2      GLY   1  -0.395  -0.228 -16.053
    5    HA3  GLY   1           HA3      GLY   1  -2.095   0.094 -16.435
    6    HA   PRO   2           HA       PRO   2  -1.400   0.143 -11.765
    7    HB2  PRO   2           HB2      PRO   2  -1.679   2.791 -11.228
    8    HB3  PRO   2           HB3      PRO   2  -0.146   2.110 -11.835
    9    HG2  PRO   2           HG2      PRO   2  -2.347   3.455 -13.448
   10    HG3  PRO   2           HG3      PRO   2  -0.589   3.820 -13.461
   11    HD2  PRO   2           HD2      PRO   2  -1.733   2.170 -15.312
   12    HD3  PRO   2           HD3      PRO   2  -0.091   1.850 -14.665
   13    H    HIS   3           H        HIS   3  -3.000   0.705 -10.086
   14    HA   HIS   3           HA       HIS   3  -5.730   0.264 -11.007
   15    HB2  HIS   3           HB2      HIS   3  -6.236   0.028  -8.650
   16    HB3  HIS   3           HB3      HIS   3  -4.801  -0.890  -9.065
   17    HD1  HIS   3           HD1      HIS   3  -5.868   2.142  -6.957
   18    HD2  HIS   3           HD2      HIS   3  -2.500  -0.217  -7.861
   19    HE1  HIS   3           HE1      HIS   3  -4.082   2.765  -5.256
   20    H    MET   4           H        MET   4  -4.057   3.068 -10.820
   21    HA   MET   4           HA       MET   4  -4.405   5.248 -10.891
   22    HB2  MET   4           HB2      MET   4  -6.160   6.047 -12.249
   23    HB3  MET   4           HB3      MET   4  -5.602   4.506 -12.876
   24    HG2  MET   4           HG2      MET   4  -7.582   3.380 -12.040
   25    HG3  MET   4           HG3      MET   4  -8.104   4.836 -11.183
   26    HE1  MET   4           HE1      MET   4  -9.953   3.099 -13.066
   27    HE2  MET   4           HE2      MET   4 -10.498   4.557 -12.210
   28    HE3  MET   4           HE3      MET   4 -10.816   4.371 -13.948
   29    H    SER   5           H        SER   5  -6.665   3.777  -8.744
   30    HA   SER   5           HA       SER   5  -7.610   6.236  -7.509
   31    HB2  SER   5           HB2      SER   5  -8.492   4.655  -5.794
   32    HB3  SER   5           HB3      SER   5  -8.952   4.242  -7.447
   33    HG   SER   5           HG       SER   5  -8.254   2.421  -6.229
   34    H    TYR   6           H        TYR   6  -4.507   5.151  -7.498
   35    HA   TYR   6           HA       TYR   6  -3.693   5.195  -4.778
   36    HB2  TYR   6           HB2      TYR   6  -2.333   4.305  -6.629
   37    HB3  TYR   6           HB3      TYR   6  -2.175   5.918  -7.312
   38    HD1  TYR   6           HD1      TYR   6  -1.354   3.835  -4.305
   39    HD2  TYR   6           HD2      TYR   6  -0.468   7.414  -6.549
   40    HE1  TYR   6           HE1      TYR   6   0.591   4.285  -2.826
   41    HE2  TYR   6           HE2      TYR   6   1.483   7.864  -5.072
   42    HH   TYR   6           HH       TYR   6   2.334   5.698  -2.341
   43    H    ASP   7           H        ASP   7  -2.698   6.709  -3.501
   44    HA   ASP   7           HA       ASP   7  -2.261   9.452  -4.324
   45    HB2  ASP   7           HB2      ASP   7  -4.618   9.600  -3.640
   46    HB3  ASP   7           HB3      ASP   7  -4.238   8.824  -2.097
   47    H    ALA   8           H        ALA   8  -0.735  10.499  -2.960
   48    HA   ALA   8           HA       ALA   8   1.167   8.764  -1.742
   49    HB1  ALA   8           HB1      ALA   8   1.711  10.877  -2.905
   50    HB2  ALA   8           HB2      ALA   8   0.878  11.804  -1.624
   51    HB3  ALA   8           HB3      ALA   8   2.350  10.875  -1.250
   52    H    ASN   9           H        ASN   9  -1.517  10.505  -0.283
   53    HA   ASN   9           HA       ASN   9  -0.583   9.726   2.464
   54    HB2  ASN   9           HB2      ASN   9  -2.402  11.995   1.563
   55    HB3  ASN   9           HB3      ASN   9  -2.087  11.552   3.241
   56   HD21  ASN   9          HD22      ASN   9   0.201  11.689   4.037
   57   HD22  ASN   9          HD21      ASN   9   1.246  12.878   3.294
   58    H    VAL  10           H        VAL  10  -3.397   9.860   0.311
   59    HA   VAL  10           HA       VAL  10  -5.191   8.567   0.021
   60    HB   VAL  10           HB       VAL  10  -4.391   6.770   2.350
   61   HG11  VAL  10          HG11      VAL  10  -6.353   6.377   0.046
   62   HG12  VAL  10          HG12      VAL  10  -5.882   5.137   1.230
   63   HG13  VAL  10          HG13      VAL  10  -6.774   6.563   1.765
   64   HG21  VAL  10          HG21      VAL  10  -2.632   6.730   0.614
   65   HG22  VAL  10          HG22      VAL  10  -3.570   5.238   0.568
   66   HG23  VAL  10          HG23      VAL  10  -3.864   6.497  -0.648
   67    H    ILE  11           H        ILE  11  -7.003   9.603   0.364
   68    HA   ILE  11           HA       ILE  11  -8.228   9.701   3.031
   69    HB   ILE  11           HB       ILE  11  -6.752  11.816   2.249
   70   HG12  ILE  11          HG12      ILE  11  -9.406  12.124   3.706
   71   HG13  ILE  11          HG13      ILE  11  -7.918  11.506   4.427
   72   HG21  ILE  11          HG21      ILE  11  -9.491  12.648   1.239
   73   HG22  ILE  11          HG22      ILE  11  -7.989  13.589   1.208
   74   HG23  ILE  11          HG23      ILE  11  -8.137  12.168   0.174
   75   HD11  ILE  11          HD11      ILE  11  -8.306  14.317   3.324
   76   HD12  ILE  11          HD12      ILE  11  -8.194  13.844   5.019
   77   HD13  ILE  11          HD13      ILE  11  -6.778  13.663   3.969
   78    H    ASP  12           H        ASP  12 -10.560  10.186   2.953
   79    HA   ASP  12           HA       ASP  12 -11.779   9.794   0.238
   80    HB2  ASP  12           HB2      ASP  12 -12.273   8.051   2.103
   81    HB3  ASP  12           HB3      ASP  12 -13.299   9.321   2.786
   82    H    ASP  13           H        ASP  13 -12.388  11.668  -0.591
   83    HA   ASP  13           HA       ASP  13 -12.754  14.085   0.861
   84    HB2  ASP  13           HB2      ASP  13 -13.513  15.025  -1.213
   85    HB3  ASP  13           HB3      ASP  13 -12.132  13.982  -1.515
   86    H    GLU  14           H        GLU  14 -15.003  11.431   0.269
   87    HA   GLU  14           HA       GLU  14 -17.383  12.995   0.978
   88    HB2  GLU  14           HB2      GLU  14 -16.986  10.005   0.828
   89    HB3  GLU  14           HB3      GLU  14 -18.508  10.823   1.144
   90    HG2  GLU  14           HG2      GLU  14 -18.450  11.898  -1.070
   91    HG3  GLU  14           HG3      GLU  14 -16.887  11.141  -1.417
   92    H    ALA  15           H        ALA  15 -15.085  10.829   2.711
   93    HA   ALA  15           HA       ALA  15 -16.534  11.016   5.221
   94    HB1  ALA  15           HB1      ALA  15 -13.596  10.397   4.707
   95    HB2  ALA  15           HB2      ALA  15 -14.489  10.111   6.212
   96    HB3  ALA  15           HB3      ALA  15 -14.923   9.208   4.743
   97    H    VAL  16           H        VAL  16 -13.819  12.887   3.800
   98    HA   VAL  16           HA       VAL  16 -13.460  14.756   5.928
   99    HB   VAL  16           HB       VAL  16 -13.080  15.131   2.943
  100   HG11  VAL  16          HG11      VAL  16 -13.332  17.365   3.925
  101   HG12  VAL  16          HG12      VAL  16 -12.202  16.955   5.231
  102   HG13  VAL  16          HG13      VAL  16 -11.636  17.083   3.552
  103   HG21  VAL  16          HG21      VAL  16 -10.683  14.878   3.487
  104   HG22  VAL  16          HG22      VAL  16 -11.073  14.650   5.203
  105   HG23  VAL  16          HG23      VAL  16 -11.578  13.449   4.003
  106    H    LYS  17           H        LYS  17 -15.685  14.955   3.069
  107    HA   LYS  17           HA       LYS  17 -17.032  17.345   3.800
  108    HB2  LYS  17           HB2      LYS  17 -17.216  16.428   1.601
  109    HB3  LYS  17           HB3      LYS  17 -17.782  14.879   2.202
  110    HG2  LYS  17           HG2      LYS  17 -19.548  16.059   1.101
  111    HG3  LYS  17           HG3      LYS  17 -19.945  15.798   2.798
  112    HD2  LYS  17           HD2      LYS  17 -19.519  18.147   3.321
  113    HD3  LYS  17           HD3      LYS  17 -18.866  18.433   1.684
  114    HE2  LYS  17           HE2      LYS  17 -21.015  17.916   0.669
  115    HE3  LYS  17           HE3      LYS  17 -21.699  17.417   2.223
  116    HZ1  LYS  17           HZ1      LYS  17 -21.586  19.663   3.010
  117    HZ2  LYS  17           HZ2      LYS  17 -20.791  20.190   1.660
  118    HZ3  LYS  17           HZ3      LYS  17 -22.344  19.689   1.565
  119    H    GLU  18           H        GLU  18 -17.913  13.935   4.653
  120    HA   GLU  18           HA       GLU  18 -20.171  14.658   6.231
  121    HB2  GLU  18           HB2      GLU  18 -18.414  12.187   6.211
  122    HB3  GLU  18           HB3      GLU  18 -19.778  12.380   7.327
  123    HG2  GLU  18           HG2      GLU  18 -21.306  12.753   5.414
  124    HG3  GLU  18           HG3      GLU  18 -19.977  12.499   4.289
  125    H    VAL  19           H        VAL  19 -16.812  13.887   7.469
  126    HA   VAL  19           HA       VAL  19 -17.509  14.441  10.180
  127    HB   VAL  19           HB       VAL  19 -15.511  13.184   9.467
  128   HG11  VAL  19          HG11      VAL  19 -14.220  15.881   9.007
  129   HG12  VAL  19          HG12      VAL  19 -13.453  14.285   8.878
  130   HG13  VAL  19          HG13      VAL  19 -14.690  14.776   7.724
  131   HG21  VAL  19          HG21      VAL  19 -14.839  15.496  11.346
  132   HG22  VAL  19          HG22      VAL  19 -15.744  14.034  11.793
  133   HG23  VAL  19          HG23      VAL  19 -14.054  13.913  11.275
  134    H    CYS  20           H        CYS  20 -16.579  16.754   7.652
  135    HA   CYS  20           HA       CYS  20 -16.118  19.050   9.256
  136    HB2  CYS  20           HB2      CYS  20 -15.756  18.868   6.794
  137    HB3  CYS  20           HB3      CYS  20 -17.516  18.794   6.543
  138    HG   CYS  20           HG       CYS  20 -16.823  21.180   5.872
  139    H    GLU  21           H        GLU  21 -19.226  17.599   8.226
  140    HA   GLU  21           HA       GLU  21 -20.770  19.762   9.554
  141    HB2  GLU  21           HB2      GLU  21 -21.880  17.377   8.034
  142    HB3  GLU  21           HB3      GLU  21 -22.680  18.910   8.432
  143    HG2  GLU  21           HG2      GLU  21 -20.926  20.044   6.973
  144    HG3  GLU  21           HG3      GLU  21 -20.409  18.415   6.497
  145    H    LYS  22           H        LYS  22 -20.535  16.207   9.579
  146    HA   LYS  22           HA       LYS  22 -22.444  15.718  11.603
  147    HB2  LYS  22           HB2      LYS  22 -21.346  14.193   9.826
  148    HB3  LYS  22           HB3      LYS  22 -20.059  13.914  10.986
  149    HG2  LYS  22           HG2      LYS  22 -23.006  13.416  11.618
  150    HG3  LYS  22           HG3      LYS  22 -22.032  12.235  10.754
  151    HD2  LYS  22           HD2      LYS  22 -20.543  11.912  12.623
  152    HD3  LYS  22           HD3      LYS  22 -21.329  13.208  13.550
  153    HE2  LYS  22           HE2      LYS  22 -23.484  11.937  13.450
  154    HE3  LYS  22           HE3      LYS  22 -22.655  10.629  12.591
  155    HZ1  LYS  22           HZ1      LYS  22 -22.804  10.167  14.964
  156    HZ2  LYS  22           HZ2      LYS  22 -21.232  10.336  14.556
  157    HZ3  LYS  22           HZ3      LYS  22 -22.012  11.542  15.348
  158    H    PHE  23           H        PHE  23 -18.889  16.054  11.945
  159    HA   PHE  23           HA       PHE  23 -19.079  15.990  14.889
  160    HB2  PHE  23           HB2      PHE  23 -17.326  14.828  13.389
  161    HB3  PHE  23           HB3      PHE  23 -16.603  16.427  13.204
  162    HD1  PHE  23           HD2      PHE  23 -17.785  13.988  15.801
  163    HD2  PHE  23           HD1      PHE  23 -15.009  17.133  14.808
  164    HE1  PHE  23           HE2      PHE  23 -16.566  13.570  17.913
  165    HE2  PHE  23           HE1      PHE  23 -13.783  16.709  16.920
  166    HZ   PHE  23           HZ       PHE  23 -14.551  14.927  18.485
  167    H    GLU  24           H        GLU  24 -19.316  18.416  12.528
  168    HA   GLU  24           HA       GLU  24 -19.443  20.654  12.553
  169    HB2  GLU  24           HB2      GLU  24 -19.542  20.437  15.587
  170    HB3  GLU  24           HB3      GLU  24 -19.924  21.858  14.622
  171    HG2  GLU  24           HG2      GLU  24 -21.758  20.616  13.496
  172    HG3  GLU  24           HG3      GLU  24 -21.414  19.201  14.503
  173    H    CYS  25           H        CYS  25 -17.387  20.679  11.571
  174    HA   CYS  25           HA       CYS  25 -15.438  22.362  12.983
  175    HB2  CYS  25           HB2      CYS  25 -14.903  19.924  13.510
  176    HB3  CYS  25           HB3      CYS  25 -14.477  19.716  11.802
  177    HG   CYS  25           HG       CYS  25 -12.305  20.087  13.377
  178    H    THR  26           H        THR  26 -13.407  21.780  10.846
  179    HA   THR  26           HA       THR  26 -14.741  22.746   8.364
  180    HB   THR  26           HB       THR  26 -12.896  24.301   7.934
  181    HG1  THR  26           HG1      THR  26 -11.564  24.801   9.794
  182   HG21  THR  26          HG21      THR  26 -14.944  25.132   9.104
  183   HG22  THR  26          HG22      THR  26 -14.121  24.890  10.663
  184   HG23  THR  26          HG23      THR  26 -13.486  26.058   9.489
  185    H    GLU  27           H        GLU  27 -13.773  22.128   6.452
  186    HA   GLU  27           HA       GLU  27 -12.552  19.567   6.391
  187    HB2  GLU  27           HB2      GLU  27 -12.576  21.722   4.236
  188    HB3  GLU  27           HB3      GLU  27 -12.151  20.024   3.990
  189    HG2  GLU  27           HG2      GLU  27 -14.427  19.335   4.685
  190    HG3  GLU  27           HG3      GLU  27 -14.875  21.027   4.914
  191    H    SER  28           H        SER  28 -11.051  22.836   6.099
  192    HA   SER  28           HA       SER  28  -8.417  21.983   5.559
  193    HB2  SER  28           HB2      SER  28  -9.270  24.425   7.170
  194    HB3  SER  28           HB3      SER  28  -7.730  24.195   6.318
  195    HG   SER  28           HG       SER  28  -9.188  25.435   5.067
  196    H    GLU  29           H        GLU  29  -9.989  22.423   8.790
  197    HA   GLU  29           HA       GLU  29  -7.536  21.741  10.236
  198    HB2  GLU  29           HB2      GLU  29 -10.441  21.937  11.113
  199    HB3  GLU  29           HB3      GLU  29  -9.107  21.563  12.202
  200    HG2  GLU  29           HG2      GLU  29  -9.315  24.125  10.561
  201    HG3  GLU  29           HG3      GLU  29  -9.778  23.960  12.251
  202    H    VAL  30           H        VAL  30 -10.482  19.980   9.230
  203    HA   VAL  30           HA       VAL  30  -9.922  17.463  10.447
  204    HB   VAL  30           HB       VAL  30 -11.422  18.331   7.973
  205   HG11  VAL  30          HG11      VAL  30 -10.606  16.062   7.404
  206   HG12  VAL  30          HG12      VAL  30 -11.282  15.447   8.927
  207   HG13  VAL  30          HG13      VAL  30 -12.332  16.114   7.644
  208   HG21  VAL  30          HG21      VAL  30 -12.269  18.755  10.353
  209   HG22  VAL  30          HG22      VAL  30 -13.370  17.889   9.282
  210   HG23  VAL  30          HG23      VAL  30 -12.435  17.003  10.517
  211    H    MET  31           H        MET  31  -8.987  18.643   7.152
  212    HA   MET  31           HA       MET  31  -7.381  16.333   6.534
  213    HB2  MET  31           HB2      MET  31  -7.444  19.142   5.359
  214    HB3  MET  31           HB3      MET  31  -6.467  17.806   4.725
  215    HG2  MET  31           HG2      MET  31  -8.533  16.441   4.423
  216    HG3  MET  31           HG3      MET  31  -9.498  17.780   5.024
  217    HE1  MET  31           HE1      MET  31  -7.383  17.595   0.914
  218    HE2  MET  31           HE2      MET  31  -6.431  17.659   2.411
  219    HE3  MET  31           HE3      MET  31  -7.488  16.265   2.081
  220    H    ASN  32           H        ASN  32  -6.555  19.464   8.129
  221    HA   ASN  32           HA       ASN  32  -3.750  19.019   8.187
  222    HB2  ASN  32           HB2      ASN  32  -4.751  21.170   8.762
  223    HB3  ASN  32           HB3      ASN  32  -5.511  20.469  10.194
  224   HD21  ASN  32          HD22      ASN  32  -4.333  20.507  12.115
  225   HD22  ASN  32          HD21      ASN  32  -2.621  20.870  12.190
  226    H    SER  33           H        SER  33  -6.232  17.968  10.679
  227    HA   SER  33           HA       SER  33  -4.296  16.556  12.255
  228    HB2  SER  33           HB2      SER  33  -7.257  15.956  11.941
  229    HB3  SER  33           HB3      SER  33  -6.181  15.309  13.198
  230    HG   SER  33           HG       SER  33  -7.076  17.013  14.140
  231    H    LEU  34           H        LEU  34  -5.539  15.661   9.142
  232    HA   LEU  34           HA       LEU  34  -4.790  12.800   9.499
  233    HB2  LEU  34           HB2      LEU  34  -6.273  14.337   7.331
  234    HB3  LEU  34           HB3      LEU  34  -5.869  12.632   7.196
  235    HG   LEU  34           HG       LEU  34  -7.522  13.720   9.523
  236   HD11  LEU  34          HD11      LEU  34  -8.602  12.499   6.958
  237   HD12  LEU  34          HD12      LEU  34  -9.524  13.072   8.367
  238   HD13  LEU  34          HD13      LEU  34  -8.653  14.233   7.363
  239   HD21  LEU  34          HD21      LEU  34  -7.215  10.915   8.364
  240   HD22  LEU  34          HD22      LEU  34  -6.509  11.486   9.887
  241   HD23  LEU  34          HD23      LEU  34  -8.261  11.375   9.720
  242    H    TYR  35           H        TYR  35  -3.459  15.725   8.259
  243    HA   TYR  35           HA       TYR  35  -1.418  14.254   6.622
  244    HB2  TYR  35           HB2      TYR  35  -2.787  15.952   5.477
  245    HB3  TYR  35           HB3      TYR  35  -2.297  17.169   6.648
  246    HD1  TYR  35           HD1      TYR  35  -1.130  14.990   3.869
  247    HD2  TYR  35           HD2      TYR  35  -0.146  18.286   6.478
  248    HE1  TYR  35           HE1      TYR  35   0.846  15.532   2.447
  249    HE2  TYR  35           HE2      TYR  35   1.826  18.821   5.065
  250    HH   TYR  35           HH       TYR  35   3.043  18.260   3.212
  251    H    SER  36           H        SER  36  -1.682  16.952   8.965
  252    HA   SER  36           HA       SER  36   1.211  16.889   9.609
  253    HB2  SER  36           HB2      SER  36  -1.021  18.571  10.814
  254    HB3  SER  36           HB3      SER  36   0.714  18.878  10.907
  255    HG   SER  36           HG       SER  36  -0.771  20.010   9.272
  256    H    GLY  37           H        GLY  37  -1.902  15.983  11.024
  257    HA2  GLY  37           HA2      GLY  37  -0.683  15.124  13.616
  258    HA3  GLY  37           HA3      GLY  37  -2.408  15.257  13.233
  259    H    ASP  38           H        ASP  38  -2.652  13.191  14.147
  260    HA   ASP  38           HA       ASP  38  -2.409  11.028  12.217
  261    HB2  ASP  38           HB2      ASP  38  -1.236   9.484  13.611
  262    HB3  ASP  38           HB3      ASP  38  -0.283  10.947  13.569
  263    HA   PRO  39           HA       PRO  39  -6.347   9.713  13.597
  264    HB2  PRO  39           HB2      PRO  39  -5.275   6.948  14.124
  265    HB3  PRO  39           HB3      PRO  39  -6.726   7.435  13.197
  266    HG2  PRO  39           HG2      PRO  39  -4.469   6.799  11.883
  267    HG3  PRO  39           HG3      PRO  39  -5.359   8.285  11.405
  268    HD2  PRO  39           HD2      PRO  39  -2.956   8.039  13.237
  269    HD3  PRO  39           HD3      PRO  39  -3.201   9.137  11.848
  270    H    GLN  40           H        GLN  40  -4.544  10.478  15.971
  271    HA   GLN  40           HA       GLN  40  -6.236   9.322  18.175
  272    HB2  GLN  40           HB2      GLN  40  -3.410  10.470  18.233
  273    HB3  GLN  40           HB3      GLN  40  -4.359  10.093  19.668
  274    HG2  GLN  40           HG2      GLN  40  -4.447   7.725  19.098
  275    HG3  GLN  40           HG3      GLN  40  -3.639   8.014  17.554
  276   HE21  GLN  40          HE22      GLN  40  -1.417   9.052  17.690
  277   HE22  GLN  40          HE21      GLN  40  -0.377   8.526  19.033
  278    H    ASP  41           H        ASP  41  -5.439  12.159  16.317
  279    HA   ASP  41           HA       ASP  41  -6.395  14.147  18.222
  280    HB2  ASP  41           HB2      ASP  41  -4.877  14.716  16.364
  281    HB3  ASP  41           HB3      ASP  41  -6.083  14.172  15.196
  282    H    GLN  42           H        GLN  42  -8.471  14.933  18.444
  283    HA   GLN  42           HA       GLN  42 -10.672  13.288  18.123
  284    HB2  GLN  42           HB2      GLN  42 -12.048  15.287  18.488
  285    HB3  GLN  42           HB3      GLN  42 -10.748  15.120  19.658
  286    HG2  GLN  42           HG2      GLN  42 -10.692  17.044  17.293
  287    HG3  GLN  42           HG3      GLN  42 -11.289  17.461  18.880
  288   HE21  GLN  42          HE22      GLN  42  -9.306  19.052  17.915
  289   HE22  GLN  42          HE21      GLN  42  -7.788  18.678  18.714
  290    H    LEU  43           H        LEU  43  -9.542  15.647  15.649
  291    HA   LEU  43           HA       LEU  43 -11.995  15.338  14.067
  292    HB2  LEU  43           HB2      LEU  43  -9.271  16.450  13.303
  293    HB3  LEU  43           HB3      LEU  43 -10.783  16.667  12.418
  294    HG   LEU  43           HG       LEU  43 -10.062  17.828  15.140
  295   HD11  LEU  43          HD11      LEU  43 -10.572  19.159  12.448
  296   HD12  LEU  43          HD12      LEU  43 -10.173  19.976  13.977
  297   HD13  LEU  43          HD13      LEU  43  -8.986  18.917  13.207
  298   HD21  LEU  43          HD21      LEU  43 -12.659  18.082  13.559
  299   HD22  LEU  43          HD22      LEU  43 -12.453  17.287  15.133
  300   HD23  LEU  43          HD23      LEU  43 -12.234  19.028  15.012
  301    H    ALA  44           H        ALA  44  -8.751  13.902  14.043
  302    HA   ALA  44           HA       ALA  44  -9.202  12.323  11.635
  303    HB1  ALA  44           HB1      ALA  44  -7.128  12.042  13.865
  304    HB2  ALA  44           HB2      ALA  44  -7.079  11.278  12.260
  305    HB3  ALA  44           HB3      ALA  44  -6.945  13.031  12.395
  306    H    VAL  45           H        VAL  45  -9.501  11.734  15.138
  307    HA   VAL  45           HA       VAL  45 -10.381   9.013  15.017
  308    HB   VAL  45           HB       VAL  45 -10.921  11.235  17.013
  309   HG11  VAL  45          HG11      VAL  45 -11.718   9.467  18.591
  310   HG12  VAL  45          HG12      VAL  45 -12.823   9.717  17.241
  311   HG13  VAL  45          HG13      VAL  45 -11.742   8.305  17.245
  312   HG21  VAL  45          HG21      VAL  45  -9.228   8.708  17.229
  313   HG22  VAL  45          HG22      VAL  45  -8.584  10.316  16.857
  314   HG23  VAL  45          HG23      VAL  45  -9.345  10.015  18.426
  315    H    ALA  46           H        ALA  46 -12.364  12.080  15.052
  316    HA   ALA  46           HA       ALA  46 -14.887  10.875  14.634
  317    HB1  ALA  46           HB1      ALA  46 -15.545  13.095  13.885
  318    HB2  ALA  46           HB2      ALA  46 -14.482  13.210  15.293
  319    HB3  ALA  46           HB3      ALA  46 -13.837  13.571  13.684
  320    H    TYR  47           H        TYR  47 -12.558  12.031  12.130
  321    HA   TYR  47           HA       TYR  47 -13.952  11.185   9.820
  322    HB2  TYR  47           HB2      TYR  47 -12.052  12.623   9.687
  323    HB3  TYR  47           HB3      TYR  47 -11.026  11.490  10.531
  324    HD1  TYR  47           HD1      TYR  47 -10.044   9.548   9.459
  325    HD2  TYR  47           HD2      TYR  47 -12.486  12.354   7.262
  326    HE1  TYR  47           HE1      TYR  47  -9.139   8.654   7.330
  327    HE2  TYR  47           HE2      TYR  47 -11.561  11.460   5.125
  328    HH   TYR  47           HH       TYR  47  -9.235   8.745   5.072
  329    H    HIS  48           H        HIS  48 -11.599   9.256  11.783
  330    HA   HIS  48           HA       HIS  48 -11.830   6.863  10.236
  331    HB2  HIS  48           HB2      HIS  48 -10.020   7.387  11.841
  332    HB3  HIS  48           HB3      HIS  48 -11.148   7.242  13.185
  333    HD1  HIS  48           HD1      HIS  48  -9.466   5.006  10.507
  334    HD2  HIS  48           HD2      HIS  48 -11.596   4.819  14.128
  335    HE1  HIS  48           HE1      HIS  48  -9.359   2.583  11.269
  336    H    LEU  49           H        LEU  49 -13.671   7.837  13.178
  337    HA   LEU  49           HA       LEU  49 -15.384   5.535  13.353
  338    HB2  LEU  49           HB2      LEU  49 -15.377   8.397  14.357
  339    HB3  LEU  49           HB3      LEU  49 -16.872   7.492  14.449
  340    HG   LEU  49           HG       LEU  49 -16.016   5.872  15.919
  341   HD11  LEU  49          HD11      LEU  49 -13.727   5.775  16.787
  342   HD12  LEU  49          HD12      LEU  49 -13.745   5.472  15.047
  343   HD13  LEU  49          HD13      LEU  49 -13.218   7.051  15.679
  344   HD21  LEU  49          HD21      LEU  49 -16.638   8.059  16.894
  345   HD22  LEU  49          HD22      LEU  49 -15.370   7.275  17.850
  346   HD23  LEU  49          HD23      LEU  49 -14.951   8.606  16.757
  347    H    ILE  50           H        ILE  50 -15.762   8.607  11.558
  348    HA   ILE  50           HA       ILE  50 -18.367   7.921  10.483
  349    HB   ILE  50           HB       ILE  50 -16.276  10.015   9.867
  350   HG12  ILE  50          HG12      ILE  50 -19.179  10.194  10.831
  351   HG13  ILE  50          HG13      ILE  50 -17.814  10.025  11.931
  352   HG21  ILE  50          HG21      ILE  50 -17.281   9.543   7.674
  353   HG22  ILE  50          HG22      ILE  50 -18.909   9.706   8.372
  354   HG23  ILE  50          HG23      ILE  50 -17.807  11.100   8.288
  355   HD11  ILE  50          HD11      ILE  50 -18.331  12.368  10.089
  356   HD12  ILE  50          HD12      ILE  50 -18.364  12.336  11.865
  357   HD13  ILE  50          HD13      ILE  50 -16.830  12.111  11.023
  358    H    ILE  51           H        ILE  51 -15.064   7.309   9.242
  359    HA   ILE  51           HA       ILE  51 -16.022   6.045   6.802
  360    HB   ILE  51           HB       ILE  51 -13.391   5.943   8.299
  361   HG12  ILE  51          HG12      ILE  51 -14.343   6.975   5.580
  362   HG13  ILE  51          HG13      ILE  51 -13.985   7.952   7.002
  363   HG21  ILE  51          HG21      ILE  51 -13.682   3.671   7.364
  364   HG22  ILE  51          HG22      ILE  51 -14.070   4.371   5.771
  365   HG23  ILE  51          HG23      ILE  51 -12.453   4.549   6.488
  366   HD11  ILE  51          HD11      ILE  51 -11.586   7.262   6.830
  367   HD12  ILE  51          HD12      ILE  51 -11.977   6.414   5.312
  368   HD13  ILE  51          HD13      ILE  51 -12.196   8.158   5.420
  369    H    ASP  52           H        ASP  52 -15.370   4.695  10.075
  370    HA   ASP  52           HA       ASP  52 -16.064   2.011   9.447
  371    HB2  ASP  52           HB2      ASP  52 -15.030   2.882  11.587
  372    HB3  ASP  52           HB3      ASP  52 -16.637   3.451  12.056
  373    H    ASN  53           H        ASN  53 -18.172   4.749  10.429
  374    HA   ASN  53           HA       ASN  53 -20.648   3.299  10.310
  375    HB2  ASN  53           HB2      ASN  53 -19.916   6.239  10.225
  376    HB3  ASN  53           HB3      ASN  53 -21.548   5.736   9.827
  377   HD21  ASN  53          HD22      ASN  53 -19.073   5.500  12.446
  378   HD22  ASN  53          HD21      ASN  53 -20.270   5.296  13.722
  379    H    ARG  54           H        ARG  54 -19.151   5.425   7.834
  380    HA   ARG  54           HA       ARG  54 -20.906   5.020   5.692
  381    HB2  ARG  54           HB2      ARG  54 -19.254   6.765   5.803
  382    HB3  ARG  54           HB3      ARG  54 -17.942   5.591   5.883
  383    HG2  ARG  54           HG2      ARG  54 -18.320   4.929   3.550
  384    HG3  ARG  54           HG3      ARG  54 -19.668   6.085   3.428
  385    HD2  ARG  54           HD2      ARG  54 -18.169   7.969   3.789
  386    HD3  ARG  54           HD3      ARG  54 -16.865   6.897   4.309
  387    HE   ARG  54           HE       ARG  54 -16.224   6.571   2.150
  388   HH11  ARG  54          HH11      ARG  54 -19.546   7.818   1.949
  389   HH12  ARG  54          HH12      ARG  54 -19.357   8.227   0.260
  390   HH21  ARG  54          HH21      ARG  54 -16.052   7.223   0.089
  391   HH22  ARG  54          HH22      ARG  54 -17.444   7.802  -0.806
  392    H    ARG  55           H        ARG  55 -18.174   2.970   6.653
  393    HA   ARG  55           HA       ARG  55 -18.440   1.139   4.410
  394    HB2  ARG  55           HB2      ARG  55 -16.292   1.638   5.492
  395    HB3  ARG  55           HB3      ARG  55 -16.879   0.994   7.024
  396    HG2  ARG  55           HG2      ARG  55 -15.420  -0.598   5.975
  397    HG3  ARG  55           HG3      ARG  55 -17.056  -1.260   6.026
  398    HD2  ARG  55           HD2      ARG  55 -17.371  -0.678   3.628
  399    HD3  ARG  55           HD3      ARG  55 -15.734   0.020   3.590
  400    HE   ARG  55           HE       ARG  55 -15.555  -2.645   4.549
  401   HH11  ARG  55          HH11      ARG  55 -16.295  -1.021   1.491
  402   HH12  ARG  55          HH12      ARG  55 -15.760  -2.372   0.539
  403   HH21  ARG  55          HH21      ARG  55 -14.865  -4.347   3.261
  404   HH22  ARG  55          HH22      ARG  55 -14.956  -4.227   1.531
  405    H    ILE  56           H        ILE  56 -19.069   0.757   7.955
  406    HA   ILE  56           HA       ILE  56 -20.400  -1.853   7.406
  407    HB   ILE  56           HB       ILE  56 -19.573  -0.588  10.050
  408   HG12  ILE  56          HG12      ILE  56 -18.205  -2.688   8.296
  409   HG13  ILE  56          HG13      ILE  56 -17.618  -1.059   8.637
  410   HG21  ILE  56          HG21      ILE  56 -19.968  -2.823  10.999
  411   HG22  ILE  56          HG22      ILE  56 -21.448  -2.225  10.276
  412   HG23  ILE  56          HG23      ILE  56 -20.477  -3.436   9.408
  413   HD11  ILE  56          HD11      ILE  56 -17.453  -1.693  11.078
  414   HD12  ILE  56          HD12      ILE  56 -17.793  -3.371  10.595
  415   HD13  ILE  56          HD13      ILE  56 -16.351  -2.551   9.981
  416    H    MET  57           H        MET  57 -21.234   1.112   9.263
  417    HA   MET  57           HA       MET  57 -23.819   0.000   9.986
  418    HB2  MET  57           HB2      MET  57 -22.924   2.907  10.094
  419    HB3  MET  57           HB3      MET  57 -24.340   2.218  10.890
  420    HG2  MET  57           HG2      MET  57 -21.441   1.469  11.474
  421    HG3  MET  57           HG3      MET  57 -22.488   2.471  12.469
  422    HE1  MET  57           HE1      MET  57 -20.750  -0.036  13.433
  423    HE2  MET  57           HE2      MET  57 -21.713   0.993  14.516
  424    HE3  MET  57           HE3      MET  57 -21.888  -0.772  14.584
  425    H    ASN  58           H        ASN  58 -22.781   2.100   7.384
  426    HA   ASN  58           HA       ASN  58 -25.201   2.801   6.152
  427    HB2  ASN  58           HB2      ASN  58 -22.886   3.567   5.636
  428    HB3  ASN  58           HB3      ASN  58 -22.536   1.972   4.954
  429   HD21  ASN  58          HD22      ASN  58 -21.903   3.103   3.021
  430   HD22  ASN  58          HD21      ASN  58 -23.136   3.659   1.891
  431    H    GLN  59           H        GLN  59 -23.583  -0.376   6.191
  432    HA   GLN  59           HA       GLN  59 -25.509  -1.507   4.189
  433    HB2  GLN  59           HB2      GLN  59 -22.948  -2.625   5.416
  434    HB3  GLN  59           HB3      GLN  59 -24.010  -3.484   4.297
  435    HG2  GLN  59           HG2      GLN  59 -23.622  -1.700   2.580
  436    HG3  GLN  59           HG3      GLN  59 -22.480  -0.918   3.674
  437   HE21  GLN  59          HE22      GLN  59 -20.403  -1.995   4.103
  438   HE22  GLN  59          HE21      GLN  59 -19.870  -3.308   3.048
  439    H    ALA  60           H        ALA  60 -24.463  -1.851   7.617
  440    HA   ALA  60           HA       ALA  60 -26.166  -4.091   8.167
  441    HB1  ALA  60           HB1      ALA  60 -24.863  -2.070  10.045
  442    HB2  ALA  60           HB2      ALA  60 -25.476  -3.671  10.485
  443    HB3  ALA  60           HB3      ALA  60 -24.078  -3.530   9.399
  444    H    SER  61           H        SER  61 -26.745  -0.582   8.404
  445    HA   SER  61           HA       SER  61 -29.338  -0.983   9.788
  446    HB2  SER  61           HB2      SER  61 -27.684   0.872  10.344
  447    HB3  SER  61           HB3      SER  61 -28.136   1.622   8.804
  448    HG   SER  61           HG       SER  61 -29.376   2.392  10.595
  449    H    GLU  62           H        GLU  62 -31.313  -0.060   8.971
  450    HA   GLU  62           HA       GLU  62 -31.703   0.503   6.137
  451    HB2  GLU  62           HB2      GLU  62 -31.508  -1.979   6.138
  452    HB3  GLU  62           HB3      GLU  62 -32.847  -2.077   7.286
  453    HG2  GLU  62           HG2      GLU  62 -34.353  -1.024   5.620
  454    HG3  GLU  62           HG3      GLU  62 -33.001  -0.846   4.499
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   0.962 -11.351   3.154
    2    H2   GLY   1           H2       GLY   1   1.990 -12.037   4.230
    3    H3   GLY   1           H3       GLY   1   0.418 -12.498   4.195
    4    HA2  GLY   1           HA2      GLY   1   0.827 -11.060   6.093
    5    HA3  GLY   1           HA3      GLY   1   1.411  -9.825   4.969
    6    HA   PRO   2           HA       PRO   2  -3.106  -9.067   6.018
    7    HB2  PRO   2           HB2      PRO   2  -1.977  -6.266   5.851
    8    HB3  PRO   2           HB3      PRO   2  -3.235  -6.912   6.948
    9    HG2  PRO   2           HG2      PRO   2  -0.698  -6.581   7.833
   10    HG3  PRO   2           HG3      PRO   2  -1.590  -8.082   8.250
   11    HD2  PRO   2           HD2      PRO   2   0.471  -7.658   6.066
   12    HD3  PRO   2           HD3      PRO   2   0.325  -9.003   7.242
   13    H    HIS   3           H        HIS   3  -4.669  -8.788   4.480
   14    HA   HIS   3           HA       HIS   3  -3.804  -8.311   1.707
   15    HB2  HIS   3           HB2      HIS   3  -6.475  -9.074   2.955
   16    HB3  HIS   3           HB3      HIS   3  -6.172  -8.948   1.229
   17    HD1  HIS   3           HD1      HIS   3  -3.309 -10.659   3.056
   18    HD2  HIS   3           HD2      HIS   3  -6.958 -11.578   1.160
   19    HE1  HIS   3           HE1      HIS   3  -3.272 -13.160   2.605
   20    H    MET   4           H        MET   4  -4.858  -6.249   4.156
   21    HA   MET   4           HA       MET   4  -5.099  -3.998   2.349
   22    HB2  MET   4           HB2      MET   4  -7.421  -4.882   2.312
   23    HB3  MET   4           HB3      MET   4  -7.502  -4.755   4.066
   24    HG2  MET   4           HG2      MET   4  -8.643  -2.898   2.898
   25    HG3  MET   4           HG3      MET   4  -7.392  -2.357   3.990
   26    HE1  MET   4           HE1      MET   4  -6.900  -3.799   0.274
   27    HE2  MET   4           HE2      MET   4  -8.451  -2.920   0.266
   28    HE3  MET   4           HE3      MET   4  -7.065  -2.290  -0.647
   29    H    SER   5           H        SER   5  -4.772  -2.048   3.378
   30    HA   SER   5           HA       SER   5  -4.768  -1.395   6.132
   31    HB2  SER   5           HB2      SER   5  -2.075  -2.262   4.994
   32    HB3  SER   5           HB3      SER   5  -2.216  -1.118   6.337
   33    HG   SER   5           HG       SER   5  -3.506  -3.633   6.392
   34    H    TYR   6           H        TYR   6  -4.097   0.829   6.448
   35    HA   TYR   6           HA       TYR   6  -3.194   2.402   4.153
   36    HB2  TYR   6           HB2      TYR   6  -5.154   3.787   3.969
   37    HB3  TYR   6           HB3      TYR   6  -5.584   2.120   3.649
   38    HD1  TYR   6           HD2      TYR   6  -7.007   0.840   5.224
   39    HD2  TYR   6           HD1      TYR   6  -6.055   4.993   5.903
   40    HE1  TYR   6           HE2      TYR   6  -8.857   0.988   6.877
   41    HE2  TYR   6           HE1      TYR   6  -7.900   5.141   7.565
   42    HH   TYR   6           HH       TYR   6  -9.992   2.339   8.354
   43    H    ASP   7           H        ASP   7  -2.602   4.507   4.620
   44    HA   ASP   7           HA       ASP   7  -2.023   5.130   7.467
   45    HB2  ASP   7           HB2      ASP   7  -0.218   5.160   5.757
   46    HB3  ASP   7           HB3      ASP   7  -1.090   6.411   4.865
   47    H    ALA   8           H        ALA   8  -2.485   7.264   8.333
   48    HA   ALA   8           HA       ALA   8  -5.075   8.282   8.005
   49    HB1  ALA   8           HB1      ALA   8  -4.186  10.197   9.317
   50    HB2  ALA   8           HB2      ALA   8  -3.664   8.638   9.982
   51    HB3  ALA   8           HB3      ALA   8  -2.534   9.624   9.025
   52    H    ASN   9           H        ASN   9  -2.159   9.163   6.145
   53    HA   ASN   9           HA       ASN   9  -3.258  11.506   4.895
   54    HB2  ASN   9           HB2      ASN   9  -1.015   9.595   4.142
   55    HB3  ASN   9           HB3      ASN   9  -1.457  10.973   3.142
   56   HD21  ASN   9          HD22      ASN   9  -0.123  10.063   6.305
   57   HD22  ASN   9          HD21      ASN   9   0.521  11.668   6.663
   58    H    VAL  10           H        VAL  10  -4.109   8.192   4.407
   59    HA   VAL  10           HA       VAL  10  -5.137   8.559   1.651
   60    HB   VAL  10           HB       VAL  10  -5.620   6.277   3.615
   61   HG11  VAL  10          HG11      VAL  10  -6.206   6.518   0.632
   62   HG12  VAL  10          HG12      VAL  10  -6.373   5.035   1.602
   63   HG13  VAL  10          HG13      VAL  10  -7.414   6.423   1.939
   64   HG21  VAL  10          HG21      VAL  10  -4.017   5.013   2.178
   65   HG22  VAL  10          HG22      VAL  10  -3.688   6.499   1.259
   66   HG23  VAL  10          HG23      VAL  10  -3.233   6.380   2.974
   67    H    ILE  11           H        ILE  11  -7.079   9.514   1.268
   68    HA   ILE  11           HA       ILE  11  -9.066   9.754   3.461
   69    HB   ILE  11           HB       ILE  11  -7.149  11.642   3.111
   70   HG12  ILE  11          HG12      ILE  11 -10.011  12.236   3.906
   71   HG13  ILE  11          HG13      ILE  11  -8.776  11.504   4.933
   72   HG21  ILE  11          HG21      ILE  11  -7.937  12.133   0.754
   73   HG22  ILE  11          HG22      ILE  11  -9.421  12.823   1.470
   74   HG23  ILE  11          HG23      ILE  11  -7.833  13.529   1.823
   75   HD11  ILE  11          HD11      ILE  11  -8.624  14.318   3.787
   76   HD12  ILE  11          HD12      ILE  11  -8.985  13.871   5.456
   77   HD13  ILE  11          HD13      ILE  11  -7.380  13.530   4.787
   78    H    ASP  12           H        ASP  12 -11.146  10.657   2.816
   79    HA   ASP  12           HA       ASP  12 -11.836  10.284  -0.066
   80    HB2  ASP  12           HB2      ASP  12 -12.520   8.343   1.473
   81    HB3  ASP  12           HB3      ASP  12 -13.629   9.473   2.243
   82    H    ASP  13           H        ASP  13 -12.784  12.060  -0.886
   83    HA   ASP  13           HA       ASP  13 -13.218  14.469   0.544
   84    HB2  ASP  13           HB2      ASP  13 -14.325  13.493  -2.119
   85    HB3  ASP  13           HB3      ASP  13 -14.483  15.144  -1.529
   86    H    GLU  14           H        GLU  14 -15.430  11.747  -0.065
   87    HA   GLU  14           HA       GLU  14 -17.828  13.140   0.865
   88    HB2  GLU  14           HB2      GLU  14 -17.205  10.186   0.589
   89    HB3  GLU  14           HB3      GLU  14 -18.771  10.850   1.038
   90    HG2  GLU  14           HG2      GLU  14 -18.953  11.996  -1.138
   91    HG3  GLU  14           HG3      GLU  14 -17.367  11.370  -1.611
   92    H    ALA  15           H        ALA  15 -15.364  10.999   2.383
   93    HA   ALA  15           HA       ALA  15 -16.666  10.941   4.968
   94    HB1  ALA  15           HB1      ALA  15 -14.535  10.086   5.792
   95    HB2  ALA  15           HB2      ALA  15 -14.957   9.275   4.273
   96    HB3  ALA  15           HB3      ALA  15 -13.711  10.550   4.296
   97    H    VAL  16           H        VAL  16 -14.032  13.030   3.630
   98    HA   VAL  16           HA       VAL  16 -13.784  14.631   5.988
   99    HB   VAL  16           HB       VAL  16 -13.289  15.452   3.089
  100   HG11  VAL  16          HG11      VAL  16 -11.793  17.216   4.087
  101   HG12  VAL  16          HG12      VAL  16 -13.500  17.495   4.425
  102   HG13  VAL  16          HG13      VAL  16 -12.443  16.823   5.689
  103   HG21  VAL  16          HG21      VAL  16 -11.350  14.545   5.269
  104   HG22  VAL  16          HG22      VAL  16 -11.871  13.560   3.894
  105   HG23  VAL  16          HG23      VAL  16 -10.925  15.018   3.605
  106    H    LYS  17           H        LYS  17 -16.004  15.086   3.147
  107    HA   LYS  17           HA       LYS  17 -17.263  17.465   4.119
  108    HB2  LYS  17           HB2      LYS  17 -17.390  16.560   1.816
  109    HB3  LYS  17           HB3      LYS  17 -18.385  15.212   2.390
  110    HG2  LYS  17           HG2      LYS  17 -20.117  16.854   3.150
  111    HG3  LYS  17           HG3      LYS  17 -19.123  18.174   2.523
  112    HD2  LYS  17           HD2      LYS  17 -20.327  15.876   0.909
  113    HD3  LYS  17           HD3      LYS  17 -20.975  17.506   0.983
  114    HE2  LYS  17           HE2      LYS  17 -18.227  16.768  -0.149
  115    HE3  LYS  17           HE3      LYS  17 -19.692  16.988  -1.103
  116    HZ1  LYS  17           HZ1      LYS  17 -18.379  19.003  -1.105
  117    HZ2  LYS  17           HZ2      LYS  17 -19.797  19.294  -0.352
  118    HZ3  LYS  17           HZ3      LYS  17 -18.417  19.123   0.521
  119    H    GLU  18           H        GLU  18 -18.139  14.002   4.640
  120    HA   GLU  18           HA       GLU  18 -20.370  14.514   6.324
  121    HB2  GLU  18           HB2      GLU  18 -19.773  12.350   5.166
  122    HB3  GLU  18           HB3      GLU  18 -18.517  12.109   6.373
  123    HG2  GLU  18           HG2      GLU  18 -20.463  10.818   6.956
  124    HG3  GLU  18           HG3      GLU  18 -20.226  12.083   8.158
  125    H    VAL  19           H        VAL  19 -16.909  13.933   7.244
  126    HA   VAL  19           HA       VAL  19 -17.222  14.303  10.054
  127    HB   VAL  19           HB       VAL  19 -14.841  15.082   8.340
  128   HG11  VAL  19          HG11      VAL  19 -15.065  14.572  11.338
  129   HG12  VAL  19          HG12      VAL  19 -13.533  14.771  10.468
  130   HG13  VAL  19          HG13      VAL  19 -14.680  16.114  10.575
  131   HG21  VAL  19          HG21      VAL  19 -14.915  12.562  10.010
  132   HG22  VAL  19          HG22      VAL  19 -15.626  12.533   8.408
  133   HG23  VAL  19          HG23      VAL  19 -13.924  12.968   8.589
  134    H    CYS  20           H        CYS  20 -16.643  16.774   7.491
  135    HA   CYS  20           HA       CYS  20 -16.504  19.031   9.183
  136    HB2  CYS  20           HB2      CYS  20 -15.859  18.992   6.807
  137    HB3  CYS  20           HB3      CYS  20 -17.556  18.792   6.321
  138    HG   CYS  20           HG       CYS  20 -16.357  21.203   8.229
  139    H    GLU  21           H        GLU  21 -19.396  17.486   7.713
  140    HA   GLU  21           HA       GLU  21 -21.312  19.322   8.799
  141    HB2  GLU  21           HB2      GLU  21 -21.621  17.812   6.816
  142    HB3  GLU  21           HB3      GLU  21 -21.660  16.429   7.900
  143    HG2  GLU  21           HG2      GLU  21 -23.910  16.990   7.334
  144    HG3  GLU  21           HG3      GLU  21 -23.676  17.422   9.025
  145    H    LYS  22           H        LYS  22 -20.409  15.973   9.851
  146    HA   LYS  22           HA       LYS  22 -22.142  15.880  12.119
  147    HB2  LYS  22           HB2      LYS  22 -19.659  14.380  11.211
  148    HB3  LYS  22           HB3      LYS  22 -20.425  13.968  12.735
  149    HG2  LYS  22           HG2      LYS  22 -22.126  14.079  10.228
  150    HG3  LYS  22           HG3      LYS  22 -21.081  12.674  10.521
  151    HD2  LYS  22           HD2      LYS  22 -22.208  12.027  12.471
  152    HD3  LYS  22           HD3      LYS  22 -22.900  13.632  12.737
  153    HE2  LYS  22           HE2      LYS  22 -24.660  12.129  12.080
  154    HE3  LYS  22           HE3      LYS  22 -24.427  13.360  10.836
  155    HZ1  LYS  22           HZ1      LYS  22 -23.308  10.612  10.663
  156    HZ2  LYS  22           HZ2      LYS  22 -24.705  11.085   9.951
  157    HZ3  LYS  22           HZ3      LYS  22 -23.297  11.756   9.469
  158    H    PHE  23           H        PHE  23 -18.663  16.676  11.943
  159    HA   PHE  23           HA       PHE  23 -18.560  17.086  14.857
  160    HB2  PHE  23           HB2      PHE  23 -16.926  15.768  13.147
  161    HB3  PHE  23           HB3      PHE  23 -16.136  17.335  13.114
  162    HD1  PHE  23           HD1      PHE  23 -17.267  14.502  15.250
  163    HD2  PHE  23           HD2      PHE  23 -14.900  18.101  15.093
  164    HE1  PHE  23           HE1      PHE  23 -16.229  13.912  17.418
  165    HE2  PHE  23           HE2      PHE  23 -13.846  17.504  17.249
  166    HZ   PHE  23           HZ       PHE  23 -14.531  15.421  18.441
  167    H    GLU  24           H        GLU  24 -19.083  19.124  12.217
  168    HA   GLU  24           HA       GLU  24 -19.278  21.339  11.982
  169    HB2  GLU  24           HB2      GLU  24 -19.125  21.474  15.023
  170    HB3  GLU  24           HB3      GLU  24 -19.779  22.706  13.949
  171    HG2  GLU  24           HG2      GLU  24 -21.519  21.106  13.164
  172    HG3  GLU  24           HG3      GLU  24 -20.923  19.908  14.322
  173    H    CYS  25           H        CYS  25 -16.617  20.300  11.859
  174    HA   CYS  25           HA       CYS  25 -14.962  22.752  12.372
  175    HB2  CYS  25           HB2      CYS  25 -14.138  19.803  12.473
  176    HB3  CYS  25           HB3      CYS  25 -13.007  21.176  12.555
  177    HG   CYS  25           HG       CYS  25 -15.614  20.611  14.543
  178    H    THR  26           H        THR  26 -13.341  23.233  10.681
  179    HA   THR  26           HA       THR  26 -14.533  22.923   8.073
  180    HB   THR  26           HB       THR  26 -12.669  24.196   7.196
  181    HG1  THR  26           HG1      THR  26 -10.863  24.416   8.253
  182   HG21  THR  26          HG21      THR  26 -14.463  25.427   8.422
  183   HG22  THR  26          HG22      THR  26 -13.472  25.361   9.898
  184   HG23  THR  26          HG23      THR  26 -12.887  26.240   8.475
  185    H    GLU  27           H        GLU  27 -13.733  22.027   6.190
  186    HA   GLU  27           HA       GLU  27 -12.623  19.434   6.224
  187    HB2  GLU  27           HB2      GLU  27 -12.360  21.468   3.961
  188    HB3  GLU  27           HB3      GLU  27 -12.288  19.718   3.855
  189    HG2  GLU  27           HG2      GLU  27 -14.427  19.928   3.192
  190    HG3  GLU  27           HG3      GLU  27 -14.772  19.928   4.917
  191    H    SER  28           H        SER  28 -10.997  22.631   5.879
  192    HA   SER  28           HA       SER  28  -8.347  21.655   5.460
  193    HB2  SER  28           HB2      SER  28  -7.706  23.957   6.216
  194    HB3  SER  28           HB3      SER  28  -8.908  23.913   4.916
  195    HG   SER  28           HG       SER  28  -9.448  25.419   6.549
  196    H    GLU  29           H        GLU  29 -10.172  22.154   8.519
  197    HA   GLU  29           HA       GLU  29  -7.767  21.681  10.164
  198    HB2  GLU  29           HB2      GLU  29 -10.721  21.985  10.799
  199    HB3  GLU  29           HB3      GLU  29  -9.533  21.536  12.018
  200    HG2  GLU  29           HG2      GLU  29  -9.308  24.073  10.353
  201    HG3  GLU  29           HG3      GLU  29 -10.096  23.990  11.926
  202    H    VAL  30           H        VAL  30 -10.634  19.831   9.073
  203    HA   VAL  30           HA       VAL  30 -10.008  17.388  10.447
  204    HB   VAL  30           HB       VAL  30 -11.561  17.937   7.893
  205   HG11  VAL  30          HG11      VAL  30 -12.544  15.665   8.156
  206   HG12  VAL  30          HG12      VAL  30 -10.832  15.604   7.743
  207   HG13  VAL  30          HG13      VAL  30 -11.345  15.303   9.417
  208   HG21  VAL  30          HG21      VAL  30 -12.505  17.192  10.705
  209   HG22  VAL  30          HG22      VAL  30 -12.488  18.839  10.077
  210   HG23  VAL  30          HG23      VAL  30 -13.522  17.633   9.309
  211    H    MET  31           H        MET  31  -8.998  18.541   7.183
  212    HA   MET  31           HA       MET  31  -7.332  16.262   6.604
  213    HB2  MET  31           HB2      MET  31  -7.317  19.149   5.623
  214    HB3  MET  31           HB3      MET  31  -6.188  17.919   5.040
  215    HG2  MET  31           HG2      MET  31  -8.060  16.494   4.323
  216    HG3  MET  31           HG3      MET  31  -9.215  17.716   4.858
  217    HE1  MET  31           HE1      MET  31 -10.313  17.514   2.393
  218    HE2  MET  31           HE2      MET  31  -9.376  17.700   0.897
  219    HE3  MET  31           HE3      MET  31  -9.058  16.324   1.972
  220    H    ASN  32           H        ASN  32  -6.600  19.290   8.437
  221    HA   ASN  32           HA       ASN  32  -3.838  19.143   8.327
  222    HB2  ASN  32           HB2      ASN  32  -5.125  21.032   9.263
  223    HB3  ASN  32           HB3      ASN  32  -5.493  20.080  10.703
  224   HD21  ASN  32          HD22      ASN  32  -2.872  21.693   8.875
  225   HD22  ASN  32          HD21      ASN  32  -1.734  21.696  10.209
  226    H    SER  33           H        SER  33  -5.734  17.706  11.110
  227    HA   SER  33           HA       SER  33  -3.506  16.456  12.330
  228    HB2  SER  33           HB2      SER  33  -6.328  15.330  12.302
  229    HB3  SER  33           HB3      SER  33  -5.068  15.071  13.517
  230    HG   SER  33           HG       SER  33  -6.610  16.679  14.171
  231    H    LEU  34           H        LEU  34  -5.308  15.410   9.495
  232    HA   LEU  34           HA       LEU  34  -4.301  12.647   9.563
  233    HB2  LEU  34           HB2      LEU  34  -6.052  14.253   7.647
  234    HB3  LEU  34           HB3      LEU  34  -5.648  12.559   7.410
  235    HG   LEU  34           HG       LEU  34  -7.172  13.664   9.817
  236   HD11  LEU  34          HD11      LEU  34  -8.424  13.880   7.692
  237   HD12  LEU  34          HD12      LEU  34  -8.190  12.140   7.385
  238   HD13  LEU  34          HD13      LEU  34  -9.155  12.698   8.779
  239   HD21  LEU  34          HD21      LEU  34  -6.635  10.791   8.926
  240   HD22  LEU  34          HD22      LEU  34  -6.022  11.573  10.405
  241   HD23  LEU  34          HD23      LEU  34  -7.748  11.272  10.223
  242    H    TYR  35           H        TYR  35  -3.456  15.722   8.077
  243    HA   TYR  35           HA       TYR  35  -1.479  14.576   6.231
  244    HB2  TYR  35           HB2      TYR  35  -2.630  16.684   5.725
  245    HB3  TYR  35           HB3      TYR  35  -2.032  17.409   7.210
  246    HD1  TYR  35           HD2      TYR  35  -0.904  15.931   3.956
  247    HD2  TYR  35           HD1      TYR  35   0.079  18.502   7.277
  248    HE1  TYR  35           HE2      TYR  35   1.139  16.683   2.759
  249    HE2  TYR  35           HE1      TYR  35   2.131  19.258   6.083
  250    HH   TYR  35           HH       TYR  35   2.996  18.034   2.828
  251    H    SER  36           H        SER  36  -1.500  16.150   9.433
  252    HA   SER  36           HA       SER  36   1.310  15.846  10.029
  253    HB2  SER  36           HB2      SER  36  -0.324  17.299  11.269
  254    HB3  SER  36           HB3      SER  36  -1.052  15.829  11.951
  255    HG   SER  36           HG       SER  36   0.548  16.822  13.320
  256    H    GLY  37           H        GLY  37  -1.496  13.694  10.441
  257    HA2  GLY  37           HA2      GLY  37  -1.441  11.396   9.978
  258    HA3  GLY  37           HA3      GLY  37   0.313  11.349  10.278
  259    H    ASP  38           H        ASP  38  -1.946  12.836  12.550
  260    HA   ASP  38           HA       ASP  38  -1.187  10.791  14.579
  261    HB2  ASP  38           HB2      ASP  38  -0.618  13.092  15.093
  262    HB3  ASP  38           HB3      ASP  38  -2.305  13.586  14.923
  263    HA   PRO  39           HA       PRO  39  -5.523   9.491  13.977
  264    HB2  PRO  39           HB2      PRO  39  -5.416   7.034  15.118
  265    HB3  PRO  39           HB3      PRO  39  -4.653   7.392  13.537
  266    HG2  PRO  39           HG2      PRO  39  -3.336   7.369  16.272
  267    HG3  PRO  39           HG3      PRO  39  -2.795   6.521  14.780
  268    HD2  PRO  39           HD2      PRO  39  -1.785   8.937  15.514
  269    HD3  PRO  39           HD3      PRO  39  -2.065   8.530  13.791
  270    H    GLN  40           H        GLN  40  -3.937  10.446  16.855
  271    HA   GLN  40           HA       GLN  40  -6.022   9.482  18.734
  272    HB2  GLN  40           HB2      GLN  40  -3.527  11.167  19.173
  273    HB3  GLN  40           HB3      GLN  40  -4.520  10.457  20.431
  274    HG2  GLN  40           HG2      GLN  40  -3.849   8.227  19.911
  275    HG3  GLN  40           HG3      GLN  40  -3.160   8.692  18.360
  276   HE21  GLN  40          HE22      GLN  40  -1.360  10.425  18.501
  277   HE22  GLN  40          HE21      GLN  40  -0.154  10.126  19.769
  278    H    ASP  41           H        ASP  41  -5.443  12.295  16.842
  279    HA   ASP  41           HA       ASP  41  -6.618  14.290  18.579
  280    HB2  ASP  41           HB2      ASP  41  -5.030  14.902  16.837
  281    HB3  ASP  41           HB3      ASP  41  -6.066  14.193  15.591
  282    H    GLN  42           H        GLN  42  -8.668  15.143  18.586
  283    HA   GLN  42           HA       GLN  42 -10.899  13.523  18.249
  284    HB2  GLN  42           HB2      GLN  42 -12.230  15.551  18.446
  285    HB3  GLN  42           HB3      GLN  42 -10.898  15.513  19.617
  286    HG2  GLN  42           HG2      GLN  42  -9.644  17.126  18.128
  287    HG3  GLN  42           HG3      GLN  42 -11.061  17.184  17.075
  288   HE21  GLN  42          HE22      GLN  42 -10.395  19.606  17.859
  289   HE22  GLN  42          HE21      GLN  42 -11.408  20.160  19.180
  290    H    LEU  43           H        LEU  43  -9.516  15.628  15.675
  291    HA   LEU  43           HA       LEU  43 -11.861  15.195  13.963
  292    HB2  LEU  43           HB2      LEU  43  -9.143  16.386  13.316
  293    HB3  LEU  43           HB3      LEU  43 -10.613  16.484  12.343
  294    HG   LEU  43           HG       LEU  43 -10.124  17.791  15.045
  295   HD11  LEU  43          HD11      LEU  43  -9.001  18.884  13.143
  296   HD12  LEU  43          HD12      LEU  43 -10.565  19.026  12.305
  297   HD13  LEU  43          HD13      LEU  43 -10.285  19.894  13.827
  298   HD21  LEU  43          HD21      LEU  43 -12.486  17.123  14.905
  299   HD22  LEU  43          HD22      LEU  43 -12.329  18.873  14.741
  300   HD23  LEU  43          HD23      LEU  43 -12.626  17.877  13.298
  301    H    ALA  44           H        ALA  44  -8.695  13.699  14.388
  302    HA   ALA  44           HA       ALA  44  -8.950  11.958  12.049
  303    HB1  ALA  44           HB1      ALA  44  -7.006  10.839  12.990
  304    HB2  ALA  44           HB2      ALA  44  -6.753  12.590  13.004
  305    HB3  ALA  44           HB3      ALA  44  -7.164  11.740  14.510
  306    H    VAL  45           H        VAL  45  -9.615  11.677  15.551
  307    HA   VAL  45           HA       VAL  45 -10.716   9.043  15.530
  308    HB   VAL  45           HB       VAL  45 -11.289  11.448  17.294
  309   HG11  VAL  45          HG11      VAL  45 -13.306  10.082  17.423
  310   HG12  VAL  45          HG12      VAL  45 -12.336   8.606  17.635
  311   HG13  VAL  45          HG13      VAL  45 -12.363   9.859  18.894
  312   HG21  VAL  45          HG21      VAL  45  -9.963  10.208  18.946
  313   HG22  VAL  45          HG22      VAL  45  -9.769   8.852  17.812
  314   HG23  VAL  45          HG23      VAL  45  -9.021  10.419  17.468
  315    H    ALA  46           H        ALA  46 -12.412  12.233  14.992
  316    HA   ALA  46           HA       ALA  46 -14.943  11.184  14.320
  317    HB1  ALA  46           HB1      ALA  46 -13.572  13.633  13.136
  318    HB2  ALA  46           HB2      ALA  46 -15.318  13.319  13.254
  319    HB3  ALA  46           HB3      ALA  46 -14.365  13.575  14.725
  320    H    TYR  47           H        TYR  47 -12.214  11.859  12.034
  321    HA   TYR  47           HA       TYR  47 -13.319  10.780   9.678
  322    HB2  TYR  47           HB2      TYR  47 -11.358  11.907   9.374
  323    HB3  TYR  47           HB3      TYR  47 -10.596  11.248  10.790
  324    HD1  TYR  47           HD1      TYR  47  -9.484   9.037  10.798
  325    HD2  TYR  47           HD2      TYR  47 -10.968  10.864   7.183
  326    HE1  TYR  47           HE1      TYR  47  -7.932   7.644   9.476
  327    HE2  TYR  47           HE2      TYR  47  -9.379   9.482   5.853
  328    HH   TYR  47           HH       TYR  47  -7.599   8.012   5.933
  329    H    HIS  48           H        HIS  48 -11.523   8.937  12.214
  330    HA   HIS  48           HA       HIS  48 -11.770   6.406  10.892
  331    HB2  HIS  48           HB2      HIS  48 -10.166   6.916  12.692
  332    HB3  HIS  48           HB3      HIS  48 -11.484   7.072  13.855
  333    HD1  HIS  48           HD1      HIS  48 -11.855   4.868  15.208
  334    HD2  HIS  48           HD2      HIS  48 -10.197   4.294  11.381
  335    HE1  HIS  48           HE1      HIS  48 -11.414   2.376  14.986
  336    H    LEU  49           H        LEU  49 -13.847   7.816  13.476
  337    HA   LEU  49           HA       LEU  49 -15.757   5.682  13.629
  338    HB2  LEU  49           HB2      LEU  49 -15.600   8.597  14.451
  339    HB3  LEU  49           HB3      LEU  49 -17.151   7.790  14.517
  340    HG   LEU  49           HG       LEU  49 -16.475   6.229  16.136
  341   HD11  LEU  49          HD11      LEU  49 -14.245   6.067  17.145
  342   HD12  LEU  49          HD12      LEU  49 -14.190   5.634  15.433
  343   HD13  LEU  49          HD13      LEU  49 -13.602   7.223  15.974
  344   HD21  LEU  49          HD21      LEU  49 -17.021   8.498  16.942
  345   HD22  LEU  49          HD22      LEU  49 -15.829   7.729  18.002
  346   HD23  LEU  49          HD23      LEU  49 -15.310   8.965  16.838
  347    H    ILE  50           H        ILE  50 -15.656   8.577  11.546
  348    HA   ILE  50           HA       ILE  50 -18.310   8.004  10.426
  349    HB   ILE  50           HB       ILE  50 -16.196  10.108   9.914
  350   HG12  ILE  50          HG12      ILE  50 -19.098  10.170  10.921
  351   HG13  ILE  50          HG13      ILE  50 -17.691  10.104  11.979
  352   HG21  ILE  50          HG21      ILE  50 -17.746  11.215   8.355
  353   HG22  ILE  50          HG22      ILE  50 -17.179   9.687   7.712
  354   HG23  ILE  50          HG23      ILE  50 -18.816   9.791   8.403
  355   HD11  ILE  50          HD11      ILE  50 -16.923  12.292  11.089
  356   HD12  ILE  50          HD12      ILE  50 -18.427  12.393  10.132
  357   HD13  ILE  50          HD13      ILE  50 -18.489  12.353  11.907
  358    H    ILE  51           H        ILE  51 -14.980   7.312   9.314
  359    HA   ILE  51           HA       ILE  51 -15.908   6.166   6.786
  360    HB   ILE  51           HB       ILE  51 -13.340   5.906   8.383
  361   HG12  ILE  51          HG12      ILE  51 -14.041   7.111   5.652
  362   HG13  ILE  51          HG13      ILE  51 -13.876   8.031   7.141
  363   HG21  ILE  51          HG21      ILE  51 -13.984   4.542   5.726
  364   HG22  ILE  51          HG22      ILE  51 -12.383   4.607   6.498
  365   HG23  ILE  51          HG23      ILE  51 -13.678   3.721   7.273
  366   HD11  ILE  51          HD11      ILE  51 -11.481   7.328   7.288
  367   HD12  ILE  51          HD12      ILE  51 -11.650   6.566   5.687
  368   HD13  ILE  51          HD13      ILE  51 -11.884   8.308   5.858
  369    H    ASP  52           H        ASP  52 -15.392   4.784  10.071
  370    HA   ASP  52           HA       ASP  52 -16.240   2.124   9.515
  371    HB2  ASP  52           HB2      ASP  52 -15.214   2.775  11.614
  372    HB3  ASP  52           HB3      ASP  52 -16.532   3.891  11.964
  373    H    ASN  53           H        ASN  53 -18.255   4.975  10.518
  374    HA   ASN  53           HA       ASN  53 -20.748   3.668  10.287
  375    HB2  ASN  53           HB2      ASN  53 -20.321   5.902  11.349
  376    HB3  ASN  53           HB3      ASN  53 -20.175   6.619   9.744
  377   HD21  ASN  53          HD22      ASN  53 -22.404   4.918  11.967
  378   HD22  ASN  53          HD21      ASN  53 -23.869   5.474  11.171
  379    H    ARG  54           H        ARG  54 -18.980   5.552   7.790
  380    HA   ARG  54           HA       ARG  54 -20.819   5.327   5.668
  381    HB2  ARG  54           HB2      ARG  54 -19.051   6.948   5.749
  382    HB3  ARG  54           HB3      ARG  54 -17.814   5.685   5.796
  383    HG2  ARG  54           HG2      ARG  54 -18.259   5.068   3.485
  384    HG3  ARG  54           HG3      ARG  54 -19.602   6.233   3.404
  385    HD2  ARG  54           HD2      ARG  54 -18.058   8.113   3.707
  386    HD3  ARG  54           HD3      ARG  54 -16.745   7.013   4.139
  387    HE   ARG  54           HE       ARG  54 -16.256   6.719   1.928
  388   HH11  ARG  54          HH11      ARG  54 -19.628   7.847   1.922
  389   HH12  ARG  54          HH12      ARG  54 -19.542   8.288   0.233
  390   HH21  ARG  54          HH21      ARG  54 -16.237   7.405  -0.187
  391   HH22  ARG  54          HH22      ARG  54 -17.717   7.930  -0.949
  392    H    ARG  55           H        ARG  55 -18.105   3.137   6.470
  393    HA   ARG  55           HA       ARG  55 -18.662   1.514   4.062
  394    HB2  ARG  55           HB2      ARG  55 -16.400   2.329   4.478
  395    HB3  ARG  55           HB3      ARG  55 -16.369   1.563   6.065
  396    HG2  ARG  55           HG2      ARG  55 -15.066   0.292   4.471
  397    HG3  ARG  55           HG3      ARG  55 -16.414  -0.653   5.085
  398    HD2  ARG  55           HD2      ARG  55 -17.680  -0.074   2.921
  399    HD3  ARG  55           HD3      ARG  55 -16.191   0.683   2.356
  400    HE   ARG  55           HE       ARG  55 -15.252  -1.398   1.999
  401   HH11  ARG  55          HH11      ARG  55 -18.227  -1.940   3.891
  402   HH12  ARG  55          HH12      ARG  55 -18.179  -3.654   3.591
  403   HH21  ARG  55          HH22      ARG  55 -15.261  -3.607   1.708
  404   HH22  ARG  55          HH21      ARG  55 -16.517  -4.582   2.402
  405    H    ILE  56           H        ILE  56 -18.718   1.123   7.597
  406    HA   ILE  56           HA       ILE  56 -19.534  -1.763   7.313
  407    HB   ILE  56           HB       ILE  56 -18.112  -0.294   9.582
  408   HG12  ILE  56          HG12      ILE  56 -17.041  -2.277   7.519
  409   HG13  ILE  56          HG13      ILE  56 -16.676  -0.553   7.587
  410   HG21  ILE  56          HG21      ILE  56 -19.444  -2.142  10.490
  411   HG22  ILE  56          HG22      ILE  56 -18.758  -3.258   9.287
  412   HG23  ILE  56          HG23      ILE  56 -17.756  -2.542  10.570
  413   HD11  ILE  56          HD11      ILE  56 -15.589  -0.889   9.816
  414   HD12  ILE  56          HD12      ILE  56 -15.764  -2.647   9.570
  415   HD13  ILE  56          HD13      ILE  56 -14.794  -1.692   8.446
  416    H    MET  57           H        MET  57 -20.674   1.363   8.399
  417    HA   MET  57           HA       MET  57 -22.489   2.069   9.559
  418    HB2  MET  57           HB2      MET  57 -23.734  -0.617   8.849
  419    HB3  MET  57           HB3      MET  57 -24.562   0.766   9.530
  420    HG2  MET  57           HG2      MET  57 -25.037   0.839   7.237
  421    HG3  MET  57           HG3      MET  57 -23.920   2.148   7.568
  422    HE1  MET  57           HE1      MET  57 -22.917  -1.701   5.174
  423    HE2  MET  57           HE2      MET  57 -23.152  -1.740   6.929
  424    HE3  MET  57           HE3      MET  57 -24.507  -1.318   5.858
  425    H    ASN  58           H        ASN  58 -20.297   0.798  10.855
  426    HA   ASN  58           HA       ASN  58 -19.457   0.203  12.775
  427    HB2  ASN  58           HB2      ASN  58 -20.966   1.971  13.685
  428    HB3  ASN  58           HB3      ASN  58 -22.173   0.732  14.053
  429   HD21  ASN  58          HD22      ASN  58 -18.668   1.454  14.612
  430   HD22  ASN  58          HD21      ASN  58 -18.675   0.850  16.271
  431    H    GLN  59           H        GLN  59 -22.432  -1.493  11.980
  432    HA   GLN  59           HA       GLN  59 -21.184  -4.068  12.402
  433    HB2  GLN  59           HB2      GLN  59 -22.857  -4.951  13.984
  434    HB3  GLN  59           HB3      GLN  59 -21.847  -3.710  14.702
  435    HG2  GLN  59           HG2      GLN  59 -23.726  -2.043  14.336
  436    HG3  GLN  59           HG3      GLN  59 -24.738  -3.389  13.797
  437   HE21  GLN  59          HE22      GLN  59 -25.163  -5.173  15.428
  438   HE22  GLN  59          HE21      GLN  59 -25.110  -4.747  17.136
  439    H    ALA  60           H        ALA  60 -22.174  -5.665  11.165
  440    HA   ALA  60           HA       ALA  60 -23.836  -4.676   9.015
  441    HB1  ALA  60           HB1      ALA  60 -22.795  -7.477   9.642
  442    HB2  ALA  60           HB2      ALA  60 -23.451  -6.923   8.086
  443    HB3  ALA  60           HB3      ALA  60 -21.937  -6.230   8.700
  444    H    SER  61           H        SER  61 -24.679  -6.129  12.004
  445    HA   SER  61           HA       SER  61 -27.501  -6.119  11.477
  446    HB2  SER  61           HB2      SER  61 -26.744  -8.320  10.401
  447    HB3  SER  61           HB3      SER  61 -26.336  -8.868  12.034
  448    HG   SER  61           HG       SER  61 -28.475  -9.457  11.346
  449    H    GLU  62           H        GLU  62 -28.589  -7.303  13.526
  450    HA   GLU  62           HA       GLU  62 -27.683  -5.808  15.851
  451    HB2  GLU  62           HB2      GLU  62 -29.659  -6.654  16.944
  452    HB3  GLU  62           HB3      GLU  62 -30.040  -6.008  15.352
  453    HG2  GLU  62           HG2      GLU  62 -30.134  -8.344  14.443
  454    HG3  GLU  62           HG3      GLU  62 -29.807  -8.969  16.062
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  11.241  -2.554  -6.443
    2    H2   GLY   1           H2       GLY   1  10.691  -1.162  -7.109
    3    H3   GLY   1           H3       GLY   1  12.151  -1.759  -7.542
    4    HA2  GLY   1           HA2      GLY   1  13.063  -1.393  -5.356
    5    HA3  GLY   1           HA3      GLY   1  12.461   0.110  -6.067
    6    HA   PRO   2           HA       PRO   2  10.775  -0.286  -1.730
    7    HB2  PRO   2           HB2      PRO   2  11.281   2.680  -1.943
    8    HB3  PRO   2           HB3      PRO   2  11.533   1.588  -0.547
    9    HG2  PRO   2           HG2      PRO   2  13.645   2.386  -2.044
   10    HG3  PRO   2           HG3      PRO   2  13.510   0.672  -1.528
   11    HD2  PRO   2           HD2      PRO   2  12.758   1.894  -4.202
   12    HD3  PRO   2           HD3      PRO   2  13.701   0.412  -3.866
   13    H    HIS   3           H        HIS   3   8.794   0.540  -0.819
   14    HA   HIS   3           HA       HIS   3   6.747   1.218  -2.801
   15    HB2  HIS   3           HB2      HIS   3   6.571   0.848   0.218
   16    HB3  HIS   3           HB3      HIS   3   5.204   1.006  -0.878
   17    HD1  HIS   3           HD1      HIS   3   7.109  -1.654   0.745
   18    HD2  HIS   3           HD2      HIS   3   5.250  -1.035  -2.979
   19    HE1  HIS   3           HE1      HIS   3   6.737  -3.961  -0.258
   20    H    MET   4           H        MET   4   5.415   3.047  -2.834
   21    HA   MET   4           HA       MET   4   6.625   5.565  -1.902
   22    HB2  MET   4           HB2      MET   4   4.099   4.973  -3.500
   23    HB3  MET   4           HB3      MET   4   4.694   6.591  -3.137
   24    HG2  MET   4           HG2      MET   4   6.225   4.491  -4.723
   25    HG3  MET   4           HG3      MET   4   5.313   5.832  -5.408
   26    HE1  MET   4           HE1      MET   4   7.406   6.465  -6.855
   27    HE2  MET   4           HE2      MET   4   9.026   6.761  -6.188
   28    HE3  MET   4           HE3      MET   4   8.327   5.131  -6.122
   29    H    SER   5           H        SER   5   5.459   7.174  -0.724
   30    HA   SER   5           HA       SER   5   4.127   6.166   1.645
   31    HB2  SER   5           HB2      SER   5   4.641   9.034   0.780
   32    HB3  SER   5           HB3      SER   5   4.252   8.468   2.417
   33    HG   SER   5           HG       SER   5   6.502   8.793   2.145
   34    H    TYR   6           H        TYR   6   2.531   5.831  -0.850
   35    HA   TYR   6           HA       TYR   6   0.391   7.676  -1.048
   36    HB2  TYR   6           HB2      TYR   6   0.902   5.939  -2.705
   37    HB3  TYR   6           HB3      TYR   6   0.478   4.677  -1.551
   38    HD1  TYR   6           HD2      TYR   6  -0.913   7.617  -3.420
   39    HD2  TYR   6           HD1      TYR   6  -1.793   3.949  -1.332
   40    HE1  TYR   6           HE2      TYR   6  -3.273   7.758  -4.190
   41    HE2  TYR   6           HE1      TYR   6  -4.158   4.079  -2.101
   42    HH   TYR   6           HH       TYR   6  -5.343   6.755  -4.173
   43    H    ASP   7           H        ASP   7   0.866   4.990   1.205
   44    HA   ASP   7           HA       ASP   7  -1.737   4.854   2.340
   45    HB2  ASP   7           HB2      ASP   7  -0.719   3.570   4.068
   46    HB3  ASP   7           HB3      ASP   7   0.083   3.146   2.563
   47    H    ALA   8           H        ALA   8   0.837   7.176   2.866
   48    HA   ALA   8           HA       ALA   8  -0.494   8.387   5.235
   49    HB1  ALA   8           HB1      ALA   8   1.472   9.867   5.231
   50    HB2  ALA   8           HB2      ALA   8   1.976   8.168   5.182
   51    HB3  ALA   8           HB3      ALA   8   2.043   9.159   3.706
   52    H    ASN   9           H        ASN   9   0.038   8.983   1.770
   53    HA   ASN   9           HA       ASN   9  -1.083  11.674   1.829
   54    HB2  ASN   9           HB2      ASN   9  -0.150   9.797  -0.370
   55    HB3  ASN   9           HB3      ASN   9  -0.913  11.349  -0.721
   56   HD21  ASN   9          HD22      ASN   9   1.964   9.872   0.878
   57   HD22  ASN   9          HD21      ASN   9   2.906  11.354   0.801
   58    H    VAL  10           H        VAL  10  -2.458   8.482   1.088
   59    HA   VAL  10           HA       VAL  10  -4.746   9.399  -0.309
   60    HB   VAL  10           HB       VAL  10  -3.868   7.100  -0.380
   61   HG11  VAL  10          HG11      VAL  10  -5.323   6.584   2.246
   62   HG12  VAL  10          HG12      VAL  10  -4.409   5.425   1.263
   63   HG13  VAL  10          HG13      VAL  10  -3.559   6.732   2.098
   64   HG21  VAL  10          HG21      VAL  10  -6.126   7.654  -1.228
   65   HG22  VAL  10          HG22      VAL  10  -5.997   5.981  -0.651
   66   HG23  VAL  10          HG23      VAL  10  -6.824   7.197   0.341
   67    H    ILE  11           H        ILE  11  -6.795   9.947   0.245
   68    HA   ILE  11           HA       ILE  11  -7.789   9.752   3.016
   69    HB   ILE  11           HB       ILE  11  -6.522  12.027   2.245
   70   HG12  ILE  11          HG12      ILE  11  -8.986  12.039   4.028
   71   HG13  ILE  11          HG13      ILE  11  -7.404  11.406   4.503
   72   HG21  ILE  11          HG21      ILE  11  -8.167  12.462   0.400
   73   HG22  ILE  11          HG22      ILE  11  -9.429  12.687   1.638
   74   HG23  ILE  11          HG23      ILE  11  -8.031  13.776   1.561
   75   HD11  ILE  11          HD11      ILE  11  -7.970  14.298   3.733
   76   HD12  ILE  11          HD12      ILE  11  -7.691  13.671   5.361
   77   HD13  ILE  11          HD13      ILE  11  -6.377  13.628   4.169
   78    H    ASP  12           H        ASP  12 -10.029   9.808   3.220
   79    HA   ASP  12           HA       ASP  12 -11.570   9.323   0.716
   80    HB2  ASP  12           HB2      ASP  12 -12.127   8.809   3.643
   81    HB3  ASP  12           HB3      ASP  12 -13.380   8.736   2.406
   82    H    ASP  13           H        ASP  13 -11.995  11.211  -0.236
   83    HA   ASP  13           HA       ASP  13 -12.369  13.683   1.077
   84    HB2  ASP  13           HB2      ASP  13 -12.900  14.581  -1.053
   85    HB3  ASP  13           HB3      ASP  13 -11.642  13.375  -1.271
   86    H    GLU  14           H        GLU  14 -14.760  11.236   0.176
   87    HA   GLU  14           HA       GLU  14 -17.120  12.786   0.809
   88    HB2  GLU  14           HB2      GLU  14 -16.658   9.780   0.921
   89    HB3  GLU  14           HB3      GLU  14 -18.226  10.580   1.057
   90    HG2  GLU  14           HG2      GLU  14 -17.859  11.581  -1.231
   91    HG3  GLU  14           HG3      GLU  14 -16.404  10.588  -1.386
   92    H    ALA  15           H        ALA  15 -14.994  10.646   2.783
   93    HA   ALA  15           HA       ALA  15 -16.496  10.913   5.233
   94    HB1  ALA  15           HB1      ALA  15 -13.521  10.291   4.817
   95    HB2  ALA  15           HB2      ALA  15 -14.461  10.035   6.291
   96    HB3  ALA  15           HB3      ALA  15 -14.843   9.106   4.824
   97    H    VAL  16           H        VAL  16 -13.588  12.624   4.016
   98    HA   VAL  16           HA       VAL  16 -13.227  14.503   6.088
   99    HB   VAL  16           HB       VAL  16 -12.698  14.646   3.112
  100   HG11  VAL  16          HG11      VAL  16 -12.966  16.973   3.690
  101   HG12  VAL  16          HG12      VAL  16 -11.966  16.776   5.157
  102   HG13  VAL  16          HG13      VAL  16 -11.255  16.630   3.534
  103   HG21  VAL  16          HG21      VAL  16 -10.357  14.432   3.821
  104   HG22  VAL  16          HG22      VAL  16 -10.843  14.457   5.529
  105   HG23  VAL  16          HG23      VAL  16 -11.318  13.106   4.480
  106    H    LYS  17           H        LYS  17 -15.201  15.024   3.080
  107    HA   LYS  17           HA       LYS  17 -16.447  17.431   3.856
  108    HB2  LYS  17           HB2      LYS  17 -16.403  16.401   1.600
  109    HB3  LYS  17           HB3      LYS  17 -17.532  15.150   2.133
  110    HG2  LYS  17           HG2      LYS  17 -19.226  16.920   2.636
  111    HG3  LYS  17           HG3      LYS  17 -18.093  18.151   2.054
  112    HD2  LYS  17           HD2      LYS  17 -19.255  15.864   0.398
  113    HD3  LYS  17           HD3      LYS  17 -19.814  17.544   0.382
  114    HE2  LYS  17           HE2      LYS  17 -17.559  18.281  -0.397
  115    HE3  LYS  17           HE3      LYS  17 -17.030  16.593  -0.450
  116    HZ1  LYS  17           HZ1      LYS  17 -17.764  17.361  -2.626
  117    HZ2  LYS  17           HZ2      LYS  17 -18.764  16.176  -2.110
  118    HZ3  LYS  17           HZ3      LYS  17 -19.251  17.736  -2.056
  119    H    GLU  18           H        GLU  18 -17.596  14.047   4.519
  120    HA   GLU  18           HA       GLU  18 -19.945  14.898   5.879
  121    HB2  GLU  18           HB2      GLU  18 -19.633  12.648   4.989
  122    HB3  GLU  18           HB3      GLU  18 -18.439  12.288   6.248
  123    HG2  GLU  18           HG2      GLU  18 -20.124  12.599   7.995
  124    HG3  GLU  18           HG3      GLU  18 -21.311  13.154   6.809
  125    H    VAL  19           H        VAL  19 -16.643  14.281   7.270
  126    HA   VAL  19           HA       VAL  19 -17.362  14.678   9.972
  127    HB   VAL  19           HB       VAL  19 -14.809  15.865   8.880
  128   HG11  VAL  19          HG11      VAL  19 -13.939  15.073  11.123
  129   HG12  VAL  19          HG12      VAL  19 -15.210  16.281  11.265
  130   HG13  VAL  19          HG13      VAL  19 -15.581  14.561  11.535
  131   HG21  VAL  19          HG21      VAL  19 -13.876  13.474   9.588
  132   HG22  VAL  19          HG22      VAL  19 -15.485  12.946   9.071
  133   HG23  VAL  19          HG23      VAL  19 -14.398  13.829   7.967
  134    H    CYS  20           H        CYS  20 -17.025  17.158   7.455
  135    HA   CYS  20           HA       CYS  20 -17.134  19.447   9.179
  136    HB2  CYS  20           HB2      CYS  20 -16.373  19.277   6.734
  137    HB3  CYS  20           HB3      CYS  20 -18.098  19.321   6.303
  138    HG   CYS  20           HG       CYS  20 -18.593  21.549   7.725
  139    H    GLU  21           H        GLU  21 -19.667  17.320   8.023
  140    HA   GLU  21           HA       GLU  21 -21.825  19.163   8.932
  141    HB2  GLU  21           HB2      GLU  21 -22.024  18.040   6.744
  142    HB3  GLU  21           HB3      GLU  21 -21.949  16.461   7.530
  143    HG2  GLU  21           HG2      GLU  21 -24.034  16.923   8.737
  144    HG3  GLU  21           HG3      GLU  21 -24.070  18.574   8.107
  145    H    LYS  22           H        LYS  22 -20.663  15.806   9.509
  146    HA   LYS  22           HA       LYS  22 -22.527  15.226  11.591
  147    HB2  LYS  22           HB2      LYS  22 -21.366  13.622  10.017
  148    HB3  LYS  22           HB3      LYS  22 -19.860  13.944  10.850
  149    HG2  LYS  22           HG2      LYS  22 -20.599  11.894  11.734
  150    HG3  LYS  22           HG3      LYS  22 -20.948  13.063  12.992
  151    HD2  LYS  22           HD2      LYS  22 -22.807  11.565  12.835
  152    HD3  LYS  22           HD3      LYS  22 -23.359  13.108  12.177
  153    HE2  LYS  22           HE2      LYS  22 -23.018  12.259   9.861
  154    HE3  LYS  22           HE3      LYS  22 -22.327  10.762  10.497
  155    HZ1  LYS  22           HZ1      LYS  22 -24.497  10.279  11.520
  156    HZ2  LYS  22           HZ2      LYS  22 -25.141  11.646  10.881
  157    HZ3  LYS  22           HZ3      LYS  22 -24.635  10.436   9.898
  158    H    PHE  23           H        PHE  23 -19.026  16.050  11.769
  159    HA   PHE  23           HA       PHE  23 -19.140  16.137  14.718
  160    HB2  PHE  23           HB2      PHE  23 -17.371  14.997  13.114
  161    HB3  PHE  23           HB3      PHE  23 -16.655  16.608  13.104
  162    HD1  PHE  23           HD1      PHE  23 -17.785  13.776  15.263
  163    HD2  PHE  23           HD2      PHE  23 -15.382  17.351  15.038
  164    HE1  PHE  23           HE1      PHE  23 -16.780  13.238  17.468
  165    HE2  PHE  23           HE2      PHE  23 -14.385  16.814  17.243
  166    HZ   PHE  23           HZ       PHE  23 -15.085  14.757  18.468
  167    H    GLU  24           H        GLU  24 -19.377  18.432  12.194
  168    HA   GLU  24           HA       GLU  24 -19.566  20.652  12.131
  169    HB2  GLU  24           HB2      GLU  24 -19.884  20.530  15.163
  170    HB3  GLU  24           HB3      GLU  24 -20.373  21.854  14.110
  171    HG2  GLU  24           HG2      GLU  24 -21.946  20.331  12.918
  172    HG3  GLU  24           HG3      GLU  24 -21.537  19.042  14.060
  173    H    CYS  25           H        CYS  25 -16.900  19.545  12.506
  174    HA   CYS  25           HA       CYS  25 -15.393  22.074  13.105
  175    HB2  CYS  25           HB2      CYS  25 -14.487  19.158  13.266
  176    HB3  CYS  25           HB3      CYS  25 -13.401  20.570  13.365
  177    HG   CYS  25           HG       CYS  25 -16.076  19.976  15.252
  178    H    THR  26           H        THR  26 -13.870  22.715  11.432
  179    HA   THR  26           HA       THR  26 -15.120  22.255   8.869
  180    HB   THR  26           HB       THR  26 -13.504  23.785   7.901
  181    HG1  THR  26           HG1      THR  26 -12.343  23.763  10.487
  182   HG21  THR  26          HG21      THR  26 -15.432  24.738   9.145
  183   HG22  THR  26          HG22      THR  26 -14.443  24.803  10.622
  184   HG23  THR  26          HG23      THR  26 -13.997  25.775   9.207
  185    H    GLU  27           H        GLU  27 -14.402  21.406   6.969
  186    HA   GLU  27           HA       GLU  27 -12.987  18.982   7.049
  187    HB2  GLU  27           HB2      GLU  27 -13.150  18.928   4.728
  188    HB3  GLU  27           HB3      GLU  27 -14.589  19.751   5.278
  189    HG2  GLU  27           HG2      GLU  27 -12.153  20.966   3.927
  190    HG3  GLU  27           HG3      GLU  27 -13.748  20.719   3.240
  191    H    SER  28           H        SER  28 -11.750  22.241   6.341
  192    HA   SER  28           HA       SER  28  -9.045  21.612   5.774
  193    HB2  SER  28           HB2      SER  28 -10.215  24.063   7.164
  194    HB3  SER  28           HB3      SER  28  -8.639  23.964   6.359
  195    HG   SER  28           HG       SER  28 -11.223  23.647   5.129
  196    H    GLU  29           H        GLU  29 -10.607  22.063   9.002
  197    HA   GLU  29           HA       GLU  29  -8.097  21.780  10.484
  198    HB2  GLU  29           HB2      GLU  29 -11.012  21.517  11.303
  199    HB3  GLU  29           HB3      GLU  29  -9.659  21.373  12.419
  200    HG2  GLU  29           HG2      GLU  29  -9.011  23.623  12.186
  201    HG3  GLU  29           HG3      GLU  29 -10.009  23.884  10.762
  202    H    VAL  30           H        VAL  30 -10.768  19.627   9.488
  203    HA   VAL  30           HA       VAL  30  -9.845  17.236  10.781
  204    HB   VAL  30           HB       VAL  30 -11.560  17.655   8.308
  205   HG11  VAL  30          HG11      VAL  30 -12.381  15.343   8.633
  206   HG12  VAL  30          HG12      VAL  30 -10.683  15.375   8.166
  207   HG13  VAL  30          HG13      VAL  30 -11.122  15.076   9.862
  208   HG21  VAL  30          HG21      VAL  30 -12.384  18.514  10.595
  209   HG22  VAL  30          HG22      VAL  30 -13.431  17.379   9.756
  210   HG23  VAL  30          HG23      VAL  30 -12.414  16.829  11.105
  211    H    MET  31           H        MET  31  -9.221  18.422   7.426
  212    HA   MET  31           HA       MET  31  -7.446  16.281   6.714
  213    HB2  MET  31           HB2      MET  31  -7.727  19.133   5.689
  214    HB3  MET  31           HB3      MET  31  -6.595  17.957   5.012
  215    HG2  MET  31           HG2      MET  31  -8.485  16.380   4.616
  216    HG3  MET  31           HG3      MET  31  -9.610  17.624   5.136
  217    HE1  MET  31           HE1      MET  31  -9.426  20.295   2.331
  218    HE2  MET  31           HE2      MET  31 -10.100  19.807   3.900
  219    HE3  MET  31           HE3      MET  31  -8.399  20.328   3.774
  220    H    ASN  32           H        ASN  32  -6.764  19.375   8.454
  221    HA   ASN  32           HA       ASN  32  -4.000  19.381   8.142
  222    HB2  ASN  32           HB2      ASN  32  -5.261  21.215   9.164
  223    HB3  ASN  32           HB3      ASN  32  -5.600  20.230  10.589
  224   HD21  ASN  32          HD22      ASN  32  -4.068  20.219  12.269
  225   HD22  ASN  32          HD21      ASN  32  -2.481  20.943  12.112
  226    H    SER  33           H        SER  33  -5.702  17.746  10.932
  227    HA   SER  33           HA       SER  33  -3.352  16.575  12.045
  228    HB2  SER  33           HB2      SER  33  -6.126  15.342  12.062
  229    HB3  SER  33           HB3      SER  33  -4.805  15.080  13.218
  230    HG   SER  33           HG       SER  33  -6.401  16.584  13.988
  231    H    LEU  34           H        LEU  34  -5.294  15.541   9.284
  232    HA   LEU  34           HA       LEU  34  -4.137  12.838   9.172
  233    HB2  LEU  34           HB2      LEU  34  -6.075  14.414   7.414
  234    HB3  LEU  34           HB3      LEU  34  -5.628  12.734   7.124
  235    HG   LEU  34           HG       LEU  34  -6.984  13.713   9.682
  236   HD11  LEU  34          HD11      LEU  34  -8.260  12.306   7.311
  237   HD12  LEU  34          HD12      LEU  34  -9.055  12.865   8.800
  238   HD13  LEU  34          HD13      LEU  34  -8.413  14.044   7.659
  239   HD21  LEU  34          HD21      LEU  34  -5.777  11.602  10.024
  240   HD22  LEU  34          HD22      LEU  34  -7.515  11.301   9.999
  241   HD23  LEU  34          HD23      LEU  34  -6.537  10.903   8.577
  242    H    TYR  35           H        TYR  35  -3.457  16.009   7.826
  243    HA   TYR  35           HA       TYR  35  -1.534  14.992   5.823
  244    HB2  TYR  35           HB2      TYR  35  -2.854  17.023   5.403
  245    HB3  TYR  35           HB3      TYR  35  -2.226  17.771   6.864
  246    HD1  TYR  35           HD2      TYR  35  -1.253  16.497   3.486
  247    HD2  TYR  35           HD1      TYR  35  -0.142  18.945   6.859
  248    HE1  TYR  35           HE2      TYR  35   0.648  17.422   2.180
  249    HE2  TYR  35           HE1      TYR  35   1.765  19.878   5.554
  250    HH   TYR  35           HH       TYR  35   2.431  18.852   2.183
  251    H    SER  36           H        SER  36  -1.581  16.334   9.075
  252    HA   SER  36           HA       SER  36   1.295  16.340   9.557
  253    HB2  SER  36           HB2      SER  36  -0.979  16.088  11.567
  254    HB3  SER  36           HB3      SER  36   0.692  16.560  11.898
  255    HG   SER  36           HG       SER  36  -1.242  18.012  10.365
  256    H    GLY  37           H        GLY  37  -1.294  13.934   9.934
  257    HA2  GLY  37           HA2      GLY  37  -0.990  11.656   9.405
  258    HA3  GLY  37           HA3      GLY  37   0.751  11.778   9.761
  259    H    ASP  38           H        ASP  38  -1.692  13.000  12.012
  260    HA   ASP  38           HA       ASP  38  -0.883  10.874  13.950
  261    HB2  ASP  38           HB2      ASP  38  -0.311  13.132  14.612
  262    HB3  ASP  38           HB3      ASP  38  -1.997  13.635  14.466
  263    HA   PRO  39           HA       PRO  39  -5.232   9.636  13.284
  264    HB2  PRO  39           HB2      PRO  39  -5.083   7.069  14.162
  265    HB3  PRO  39           HB3      PRO  39  -4.358   7.590  12.610
  266    HG2  PRO  39           HG2      PRO  39  -2.981   7.285  15.299
  267    HG3  PRO  39           HG3      PRO  39  -2.473   6.609  13.717
  268    HD2  PRO  39           HD2      PRO  39  -1.457   8.945  14.696
  269    HD3  PRO  39           HD3      PRO  39  -1.749   8.710  12.946
  270    H    GLN  40           H        GLN  40  -3.542  10.261  16.209
  271    HA   GLN  40           HA       GLN  40  -5.590   9.140  18.032
  272    HB2  GLN  40           HB2      GLN  40  -3.089  10.783  18.576
  273    HB3  GLN  40           HB3      GLN  40  -4.046   9.930  19.779
  274    HG2  GLN  40           HG2      GLN  40  -3.352   7.780  19.042
  275    HG3  GLN  40           HG3      GLN  40  -2.728   8.391  17.508
  276   HE21  GLN  40          HE22      GLN  40  -0.956  10.161  17.752
  277   HE22  GLN  40          HE21      GLN  40   0.305   9.752  18.928
  278    H    ASP  41           H        ASP  41  -5.035  12.108  16.391
  279    HA   ASP  41           HA       ASP  41  -6.108  13.989  18.279
  280    HB2  ASP  41           HB2      ASP  41  -4.685  14.712  16.459
  281    HB3  ASP  41           HB3      ASP  41  -5.771  13.999  15.259
  282    H    GLN  42           H        GLN  42  -8.157  14.823  18.516
  283    HA   GLN  42           HA       GLN  42 -10.360  13.129  18.311
  284    HB2  GLN  42           HB2      GLN  42 -10.101  15.093  19.814
  285    HB3  GLN  42           HB3      GLN  42 -10.320  16.182  18.437
  286    HG2  GLN  42           HG2      GLN  42 -12.618  15.339  18.114
  287    HG3  GLN  42           HG3      GLN  42 -12.391  14.154  19.402
  288   HE21  GLN  42          HE22      GLN  42 -12.179  14.978  21.667
  289   HE22  GLN  42          HE21      GLN  42 -12.815  16.570  22.037
  290    H    LEU  43           H        LEU  43  -9.299  15.508  15.809
  291    HA   LEU  43           HA       LEU  43 -11.778  15.078  14.278
  292    HB2  LEU  43           HB2      LEU  43  -9.228  16.519  13.451
  293    HB3  LEU  43           HB3      LEU  43 -10.793  16.574  12.667
  294    HG   LEU  43           HG       LEU  43 -10.100  17.718  15.401
  295   HD11  LEU  43          HD11      LEU  43  -9.326  19.019  13.454
  296   HD12  LEU  43          HD12      LEU  43 -10.978  19.036  12.795
  297   HD13  LEU  43          HD13      LEU  43 -10.617  19.867  14.322
  298   HD21  LEU  43          HD21      LEU  43 -12.421  18.627  15.411
  299   HD22  LEU  43          HD22      LEU  43 -12.801  17.635  13.982
  300   HD23  LEU  43          HD23      LEU  43 -12.395  16.872  15.542
  301    H    ALA  44           H        ALA  44  -8.484  13.788  14.241
  302    HA   ALA  44           HA       ALA  44  -8.846  12.246  11.791
  303    HB1  ALA  44           HB1      ALA  44  -6.611  12.829  12.696
  304    HB2  ALA  44           HB2      ALA  44  -6.934  11.839  14.138
  305    HB3  ALA  44           HB3      ALA  44  -6.824  11.080  12.543
  306    H    VAL  45           H        VAL  45  -9.328  11.608  15.265
  307    HA   VAL  45           HA       VAL  45 -10.377   8.958  15.042
  308    HB   VAL  45           HB       VAL  45 -10.810  11.143  17.096
  309   HG11  VAL  45          HG11      VAL  45 -11.813   8.265  17.234
  310   HG12  VAL  45          HG12      VAL  45 -11.767   9.402  18.594
  311   HG13  VAL  45          HG13      VAL  45 -12.817   9.732  17.218
  312   HG21  VAL  45          HG21      VAL  45  -9.363   9.719  18.487
  313   HG22  VAL  45          HG22      VAL  45  -9.269   8.509  17.190
  314   HG23  VAL  45          HG23      VAL  45  -8.540  10.104  16.969
  315    H    ALA  46           H        ALA  46 -12.189  12.146  15.047
  316    HA   ALA  46           HA       ALA  46 -14.756  11.143  14.483
  317    HB1  ALA  46           HB1      ALA  46 -14.197  13.496  15.034
  318    HB2  ALA  46           HB2      ALA  46 -13.478  13.698  13.423
  319    HB3  ALA  46           HB3      ALA  46 -15.205  13.354  13.587
  320    H    TYR  47           H        TYR  47 -12.246  12.064  12.056
  321    HA   TYR  47           HA       TYR  47 -13.584  11.191   9.723
  322    HB2  TYR  47           HB2      TYR  47 -11.643  12.550   9.575
  323    HB3  TYR  47           HB3      TYR  47 -10.689  11.452  10.544
  324    HD1  TYR  47           HD1      TYR  47 -12.186  11.953   7.169
  325    HD2  TYR  47           HD2      TYR  47  -9.493   9.623   9.609
  326    HE1  TYR  47           HE1      TYR  47 -11.154  10.970   5.117
  327    HE2  TYR  47           HE2      TYR  47  -8.459   8.661   7.569
  328    HH   TYR  47           HH       TYR  47  -8.491   8.591   5.295
  329    H    HIS  48           H        HIS  48 -11.400   9.204  11.832
  330    HA   HIS  48           HA       HIS  48 -11.699   6.796  10.319
  331    HB2  HIS  48           HB2      HIS  48 -10.019   7.316  12.150
  332    HB3  HIS  48           HB3      HIS  48 -11.282   6.994  13.334
  333    HD1  HIS  48           HD1      HIS  48 -12.490   4.230  12.318
  334    HD2  HIS  48           HD2      HIS  48  -8.418   5.331  12.156
  335    HE1  HIS  48           HE1      HIS  48 -11.177   2.082  12.210
  336    H    LEU  49           H        LEU  49 -13.599   7.898  13.177
  337    HA   LEU  49           HA       LEU  49 -15.428   5.713  13.321
  338    HB2  LEU  49           HB2      LEU  49 -15.338   8.600  14.235
  339    HB3  LEU  49           HB3      LEU  49 -16.873   7.771  14.296
  340    HG   LEU  49           HG       LEU  49 -16.150   6.143  15.838
  341   HD11  LEU  49          HD11      LEU  49 -13.295   7.184  15.673
  342   HD12  LEU  49          HD12      LEU  49 -13.900   5.974  16.808
  343   HD13  LEU  49          HD13      LEU  49 -13.868   5.608  15.080
  344   HD21  LEU  49          HD21      LEU  49 -14.998   8.851  16.661
  345   HD22  LEU  49          HD22      LEU  49 -16.710   8.386  16.733
  346   HD23  LEU  49          HD23      LEU  49 -15.521   7.559  17.762
  347    H    ILE  50           H        ILE  50 -15.610   8.764  11.482
  348    HA   ILE  50           HA       ILE  50 -18.201   8.188  10.323
  349    HB   ILE  50           HB       ILE  50 -16.001  10.190   9.770
  350   HG12  ILE  50          HG12      ILE  50 -18.916  10.473  10.666
  351   HG13  ILE  50          HG13      ILE  50 -17.586  10.258  11.802
  352   HG21  ILE  50          HG21      ILE  50 -16.981   9.751   7.554
  353   HG22  ILE  50          HG22      ILE  50 -18.615   9.971   8.217
  354   HG23  ILE  50          HG23      ILE  50 -17.473  11.331   8.148
  355   HD11  ILE  50          HD11      ILE  50 -16.537  12.346  10.967
  356   HD12  ILE  50          HD12      ILE  50 -17.981  12.609   9.941
  357   HD13  ILE  50          HD13      ILE  50 -18.124  12.584  11.707
  358    H    ILE  51           H        ILE  51 -14.909   7.347   9.233
  359    HA   ILE  51           HA       ILE  51 -15.830   6.152   6.734
  360    HB   ILE  51           HB       ILE  51 -13.299   5.841   8.388
  361   HG12  ILE  51          HG12      ILE  51 -13.862   6.938   5.593
  362   HG13  ILE  51          HG13      ILE  51 -13.755   7.931   7.043
  363   HG21  ILE  51          HG21      ILE  51 -12.349   4.441   6.591
  364   HG22  ILE  51          HG22      ILE  51 -13.716   3.632   7.320
  365   HG23  ILE  51          HG23      ILE  51 -13.915   4.439   5.748
  366   HD11  ILE  51          HD11      ILE  51 -11.395   7.269   7.347
  367   HD12  ILE  51          HD12      ILE  51 -11.471   6.332   5.827
  368   HD13  ILE  51          HD13      ILE  51 -11.711   8.074   5.797
  369    H    ASP  52           H        ASP  52 -15.345   4.791  10.035
  370    HA   ASP  52           HA       ASP  52 -16.189   2.142   9.383
  371    HB2  ASP  52           HB2      ASP  52 -16.529   3.671  11.995
  372    HB3  ASP  52           HB3      ASP  52 -16.788   1.948  11.783
  373    H    ASN  53           H        ASN  53 -18.163   4.948  10.508
  374    HA   ASN  53           HA       ASN  53 -20.693   3.640  10.297
  375    HB2  ASN  53           HB2      ASN  53 -19.793   6.538  10.248
  376    HB3  ASN  53           HB3      ASN  53 -21.470   6.123   9.951
  377   HD21  ASN  53          HD22      ASN  53 -22.311   4.313  11.683
  378   HD22  ASN  53          HD21      ASN  53 -21.995   4.825  13.333
  379    H    ARG  54           H        ARG  54 -18.857   5.500   7.812
  380    HA   ARG  54           HA       ARG  54 -20.791   5.338   5.731
  381    HB2  ARG  54           HB2      ARG  54 -18.950   6.874   5.737
  382    HB3  ARG  54           HB3      ARG  54 -17.770   5.567   5.751
  383    HG2  ARG  54           HG2      ARG  54 -18.342   4.948   3.461
  384    HG3  ARG  54           HG3      ARG  54 -19.627   6.186   3.416
  385    HD2  ARG  54           HD2      ARG  54 -18.004   7.962   3.736
  386    HD3  ARG  54           HD3      ARG  54 -16.722   6.815   4.095
  387    HE   ARG  54           HE       ARG  54 -17.985   7.267   1.407
  388   HH11  ARG  54          HH11      ARG  54 -15.192   5.947   3.182
  389   HH12  ARG  54          HH12      ARG  54 -14.157   6.108   1.782
  390   HH21  ARG  54          HH21      ARG  54 -16.619   7.320  -0.324
  391   HH22  ARG  54          HH22      ARG  54 -14.985   6.690  -0.185
  392    H    ARG  55           H        ARG  55 -18.212   3.045   6.620
  393    HA   ARG  55           HA       ARG  55 -18.858   1.134   4.506
  394    HB2  ARG  55           HB2      ARG  55 -17.041   1.115   6.924
  395    HB3  ARG  55           HB3      ARG  55 -17.492  -0.412   6.179
  396    HG2  ARG  55           HG2      ARG  55 -15.441   0.224   5.200
  397    HG3  ARG  55           HG3      ARG  55 -16.693   0.390   3.970
  398    HD2  ARG  55           HD2      ARG  55 -16.689   2.893   4.411
  399    HD3  ARG  55           HD3      ARG  55 -15.412   2.624   5.597
  400    HE   ARG  55           HE       ARG  55 -13.856   2.304   3.935
  401   HH11  ARG  55          HH11      ARG  55 -17.023   2.272   2.326
  402   HH12  ARG  55          HH12      ARG  55 -16.313   2.438   0.752
  403   HH21  ARG  55          HH21      ARG  55 -13.026   2.503   1.874
  404   HH22  ARG  55          HH22      ARG  55 -14.083   2.529   0.498
  405    H    ILE  56           H        ILE  56 -19.622   1.175   8.022
  406    HA   ILE  56           HA       ILE  56 -21.081  -1.374   7.814
  407    HB   ILE  56           HB       ILE  56 -20.600   0.477  10.178
  408   HG12  ILE  56          HG12      ILE  56 -19.245  -2.171   9.463
  409   HG13  ILE  56          HG13      ILE  56 -18.542  -0.598   9.118
  410   HG21  ILE  56          HG21      ILE  56 -22.610  -0.933  10.540
  411   HG22  ILE  56          HG22      ILE  56 -21.679  -2.384  10.113
  412   HG23  ILE  56          HG23      ILE  56 -21.298  -1.452  11.577
  413   HD11  ILE  56          HD11      ILE  56 -19.100  -1.720  11.881
  414   HD12  ILE  56          HD12      ILE  56 -17.536  -1.409  11.119
  415   HD13  ILE  56          HD13      ILE  56 -18.583  -0.045  11.557
  416    H    MET  57           H        MET  57 -22.071   1.817   9.014
  417    HA   MET  57           HA       MET  57 -24.449   2.143   7.615
  418    HB2  MET  57           HB2      MET  57 -24.820   0.233   9.792
  419    HB3  MET  57           HB3      MET  57 -25.722   1.695  10.155
  420    HG2  MET  57           HG2      MET  57 -25.879   0.143   7.550
  421    HG3  MET  57           HG3      MET  57 -27.038   0.024   8.861
  422    HE1  MET  57           HE1      MET  57 -27.851   2.736   9.874
  423    HE2  MET  57           HE2      MET  57 -29.102   3.244   8.718
  424    HE3  MET  57           HE3      MET  57 -29.021   1.555   9.256
  425    H    ASN  58           H        ASN  58 -25.343   4.173   7.993
  426    HA   ASN  58           HA       ASN  58 -23.501   5.922   9.300
  427    HB2  ASN  58           HB2      ASN  58 -24.818   6.219   7.093
  428    HB3  ASN  58           HB3      ASN  58 -26.146   6.794   8.114
  429   HD21  ASN  58          HD22      ASN  58 -22.708   7.350   7.210
  430   HD22  ASN  58          HD21      ASN  58 -22.667   9.042   7.681
  431    H    GLN  59           H        GLN  59 -26.116   4.342  10.701
  432    HA   GLN  59           HA       GLN  59 -26.148   5.977  13.111
  433    HB2  GLN  59           HB2      GLN  59 -28.578   6.455  13.028
  434    HB3  GLN  59           HB3      GLN  59 -27.684   7.306  11.779
  435    HG2  GLN  59           HG2      GLN  59 -28.410   5.492  10.127
  436    HG3  GLN  59           HG3      GLN  59 -29.459   4.861  11.401
  437   HE21  GLN  59          HE22      GLN  59 -31.338   6.200  12.050
  438   HE22  GLN  59          HE21      GLN  59 -31.857   7.528  11.019
  439    H    ALA  60           H        ALA  60 -27.290   4.916  14.868
  440    HA   ALA  60           HA       ALA  60 -26.889   2.066  14.771
  441    HB1  ALA  60           HB1      ALA  60 -26.342   3.499  16.718
  442    HB2  ALA  60           HB2      ALA  60 -28.070   3.865  16.938
  443    HB3  ALA  60           HB3      ALA  60 -27.478   2.208  17.161
  444    H    SER  61           H        SER  61 -29.747   4.001  14.328
  445    HA   SER  61           HA       SER  61 -31.388   1.768  13.560
  446    HB2  SER  61           HB2      SER  61 -31.495   1.707  16.130
  447    HB3  SER  61           HB3      SER  61 -32.345   3.251  16.029
  448    HG   SER  61           HG       SER  61 -33.773   1.440  16.081
  449    H    GLU  62           H        GLU  62 -33.679   2.612  13.040
  450    HA   GLU  62           HA       GLU  62 -33.422   4.941  11.319
  451    HB2  GLU  62           HB2      GLU  62 -34.659   2.875  10.717
  452    HB3  GLU  62           HB3      GLU  62 -35.852   3.239  11.968
  453    HG2  GLU  62           HG2      GLU  62 -36.446   5.341  10.794
  454    HG3  GLU  62           HG3      GLU  62 -35.193   5.034   9.587
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1   8.057  -4.910  -5.534
    2    H2   GLY   1           H2       GLY   1   7.472  -6.209  -4.726
    3    H3   GLY   1           H3       GLY   1   7.138  -6.020  -6.315
    4    HA2  GLY   1           HA2      GLY   1   5.834  -4.046  -5.895
    5    HA3  GLY   1           HA3      GLY   1   5.198  -5.444  -5.012
    6    HA   PRO   2           HA       PRO   2   6.244  -1.715  -2.214
    7    HB2  PRO   2           HB2      PRO   2   3.701  -0.924  -1.505
    8    HB3  PRO   2           HB3      PRO   2   4.580  -0.310  -2.940
    9    HG2  PRO   2           HG2      PRO   2   2.524  -2.535  -2.815
   10    HG3  PRO   2           HG3      PRO   2   2.600  -1.155  -3.959
   11    HD2  PRO   2           HD2      PRO   2   3.550  -3.611  -4.627
   12    HD3  PRO   2           HD3      PRO   2   4.400  -2.123  -5.153
   13    H    HIS   3           H        HIS   3   6.643  -2.141  -0.105
   14    HA   HIS   3           HA       HIS   3   5.580  -4.652   1.050
   15    HB2  HIS   3           HB2      HIS   3   7.752  -2.687   1.891
   16    HB3  HIS   3           HB3      HIS   3   7.293  -4.107   2.823
   17    HD1  HIS   3           HD1      HIS   3   7.693  -4.406  -1.027
   18    HD2  HIS   3           HD2      HIS   3   9.635  -5.288   2.608
   19    HE1  HIS   3           HE1      HIS   3   9.632  -5.931  -1.606
   20    H    MET   4           H        MET   4   4.842  -1.280   1.345
   21    HA   MET   4           HA       MET   4   3.799  -1.435   4.078
   22    HB2  MET   4           HB2      MET   4   3.186   0.916   3.737
   23    HB3  MET   4           HB3      MET   4   4.894   0.606   3.457
   24    HG2  MET   4           HG2      MET   4   2.858   0.827   1.202
   25    HG3  MET   4           HG3      MET   4   3.706   2.206   1.879
   26    HE1  MET   4           HE1      MET   4   4.557   2.995  -0.428
   27    HE2  MET   4           HE2      MET   4   5.357   1.937  -1.605
   28    HE3  MET   4           HE3      MET   4   3.661   1.646  -1.162
   29    H    SER   5           H        SER   5   1.685  -1.277   4.725
   30    HA   SER   5           HA       SER   5  -0.430  -1.963   2.695
   31    HB2  SER   5           HB2      SER   5  -0.259  -2.652   5.656
   32    HB3  SER   5           HB3      SER   5  -1.567  -3.108   4.555
   33    HG   SER   5           HG       SER   5   1.166  -3.870   4.259
   34    H    TYR   6           H        TYR   6   0.569   0.761   4.074
   35    HA   TYR   6           HA       TYR   6  -2.105   1.958   4.385
   36    HB2  TYR   6           HB2      TYR   6  -1.707   1.033   6.609
   37    HB3  TYR   6           HB3      TYR   6  -0.102   1.745   6.664
   38    HD1  TYR   6           HD1      TYR   6  -3.745   2.621   6.487
   39    HD2  TYR   6           HD2      TYR   6   0.224   3.935   7.529
   40    HE1  TYR   6           HE1      TYR   6  -4.696   4.697   7.489
   41    HE2  TYR   6           HE2      TYR   6  -0.712   6.006   8.531
   42    HH   TYR   6           HH       TYR   6  -2.625   7.206   8.997
   43    H    ASP   7           H        ASP   7  -2.125   4.213   4.425
   44    HA   ASP   7           HA       ASP   7   0.305   5.811   4.315
   45    HB2  ASP   7           HB2      ASP   7   0.153   5.287   1.957
   46    HB3  ASP   7           HB3      ASP   7  -1.573   5.641   1.928
   47    H    ALA   8           H        ALA   8  -0.058   7.831   5.160
   48    HA   ALA   8           HA       ALA   8  -2.676   8.314   6.387
   49    HB1  ALA   8           HB1      ALA   8  -0.540   8.517   7.641
   50    HB2  ALA   8           HB2      ALA   8  -0.035   9.839   6.560
   51    HB3  ALA   8           HB3      ALA   8  -1.442  10.043   7.624
   52    H    ASN   9           H        ASN   9  -1.062   9.507   3.529
   53    HA   ASN   9           HA       ASN   9  -2.400  12.107   3.536
   54    HB2  ASN   9           HB2      ASN   9  -0.113  11.837   2.675
   55    HB3  ASN   9           HB3      ASN   9  -0.705  10.755   1.407
   56   HD21  ASN   9          HD22      ASN   9  -1.165  14.115   2.711
   57   HD22  ASN   9          HD21      ASN   9  -1.528  14.810   1.145
   58    H    VAL  10           H        VAL  10  -2.839   8.987   1.806
   59    HA   VAL  10           HA       VAL  10  -5.031   9.881   0.176
   60    HB   VAL  10           HB       VAL  10  -5.815   7.566   0.042
   61   HG11  VAL  10          HG11      VAL  10  -3.884   6.674  -1.152
   62   HG12  VAL  10          HG12      VAL  10  -4.078   8.397  -1.479
   63   HG13  VAL  10          HG13      VAL  10  -2.812   7.846  -0.366
   64   HG21  VAL  10          HG21      VAL  10  -4.497   5.714   1.034
   65   HG22  VAL  10          HG22      VAL  10  -3.593   6.894   2.005
   66   HG23  VAL  10          HG23      VAL  10  -5.334   6.678   2.256
   67    H    ILE  11           H        ILE  11  -7.206  10.016   0.456
   68    HA   ILE  11           HA       ILE  11  -8.418   9.673   3.139
   69    HB   ILE  11           HB       ILE  11  -7.130  11.905   2.662
   70   HG12  ILE  11          HG12      ILE  11  -9.943  12.110   3.798
   71   HG13  ILE  11          HG13      ILE  11  -8.574  11.381   4.647
   72   HG21  ILE  11          HG21      ILE  11  -8.307  13.682   1.563
   73   HG22  ILE  11          HG22      ILE  11  -8.290  12.315   0.449
   74   HG23  ILE  11          HG23      ILE  11  -9.768  12.703   1.361
   75   HD11  ILE  11          HD11      ILE  11  -7.349  13.506   4.607
   76   HD12  ILE  11          HD12      ILE  11  -8.672  14.276   3.696
   77   HD13  ILE  11          HD13      ILE  11  -8.954  13.715   5.343
   78    H    ASP  12           H        ASP  12 -10.822  10.669   2.935
   79    HA   ASP  12           HA       ASP  12 -12.023   9.883   0.321
   80    HB2  ASP  12           HB2      ASP  12 -12.450   8.228   2.313
   81    HB3  ASP  12           HB3      ASP  12 -13.542   9.499   2.895
   82    H    ASP  13           H        ASP  13 -12.692  11.773  -0.549
   83    HA   ASP  13           HA       ASP  13 -13.023  14.173   0.941
   84    HB2  ASP  13           HB2      ASP  13 -13.719  15.190  -1.049
   85    HB3  ASP  13           HB3      ASP  13 -12.516  13.999  -1.523
   86    H    GLU  14           H        GLU  14 -15.318  11.568   0.243
   87    HA   GLU  14           HA       GLU  14 -17.626  13.149   1.021
   88    HB2  GLU  14           HB2      GLU  14 -17.762  11.250  -0.562
   89    HB3  GLU  14           HB3      GLU  14 -17.384  10.151   0.773
   90    HG2  GLU  14           HG2      GLU  14 -19.451  10.814   1.939
   91    HG3  GLU  14           HG3      GLU  14 -19.778  12.035   0.703
   92    H    ALA  15           H        ALA  15 -15.439  10.909   2.749
   93    HA   ALA  15           HA       ALA  15 -16.909  11.113   5.255
   94    HB1  ALA  15           HB1      ALA  15 -15.250   9.309   4.827
   95    HB2  ALA  15           HB2      ALA  15 -13.951  10.536   4.812
   96    HB3  ALA  15           HB3      ALA  15 -14.873  10.235   6.291
   97    H    VAL  16           H        VAL  16 -14.132  12.967   3.860
   98    HA   VAL  16           HA       VAL  16 -13.843  14.774   6.049
   99    HB   VAL  16           HB       VAL  16 -13.325  15.215   3.087
  100   HG11  VAL  16          HG11      VAL  16 -13.574  17.434   4.050
  101   HG12  VAL  16          HG12      VAL  16 -12.569  16.994   5.452
  102   HG13  VAL  16          HG13      VAL  16 -11.854  17.116   3.830
  103   HG21  VAL  16          HG21      VAL  16 -10.989  14.856   3.686
  104   HG22  VAL  16          HG22      VAL  16 -11.400  14.720   5.409
  105   HG23  VAL  16          HG23      VAL  16 -11.923  13.474   4.264
  106    H    LYS  17           H        LYS  17 -16.014  15.099   3.165
  107    HA   LYS  17           HA       LYS  17 -17.300  17.527   3.974
  108    HB2  LYS  17           HB2      LYS  17 -18.122  15.179   2.219
  109    HB3  LYS  17           HB3      LYS  17 -19.160  16.591   2.450
  110    HG2  LYS  17           HG2      LYS  17 -17.608  18.081   1.444
  111    HG3  LYS  17           HG3      LYS  17 -16.289  16.915   1.511
  112    HD2  LYS  17           HD2      LYS  17 -17.503  15.438  -0.091
  113    HD3  LYS  17           HD3      LYS  17 -18.783  16.660  -0.225
  114    HE2  LYS  17           HE2      LYS  17 -17.227  18.286  -1.142
  115    HE3  LYS  17           HE3      LYS  17 -15.842  17.245  -0.791
  116    HZ1  LYS  17           HZ1      LYS  17 -16.623  15.667  -2.419
  117    HZ2  LYS  17           HZ2      LYS  17 -17.983  16.546  -2.727
  118    HZ3  LYS  17           HZ3      LYS  17 -16.509  17.135  -3.135
  119    H    GLU  18           H        GLU  18 -18.192  14.090   4.726
  120    HA   GLU  18           HA       GLU  18 -20.453  14.868   6.312
  121    HB2  GLU  18           HB2      GLU  18 -20.173  12.654   5.332
  122    HB3  GLU  18           HB3      GLU  18 -18.847  12.297   6.450
  123    HG2  GLU  18           HG2      GLU  18 -20.354  12.511   8.372
  124    HG3  GLU  18           HG3      GLU  18 -21.666  13.086   7.334
  125    H    VAL  19           H        VAL  19 -17.022  14.247   7.312
  126    HA   VAL  19           HA       VAL  19 -17.361  14.692  10.092
  127    HB   VAL  19           HB       VAL  19 -14.996  15.467   8.366
  128   HG11  VAL  19          HG11      VAL  19 -15.228  15.120  11.393
  129   HG12  VAL  19          HG12      VAL  19 -13.686  15.238  10.533
  130   HG13  VAL  19          HG13      VAL  19 -14.807  16.606  10.521
  131   HG21  VAL  19          HG21      VAL  19 -14.070  13.396   8.590
  132   HG22  VAL  19          HG22      VAL  19 -14.849  13.067  10.136
  133   HG23  VAL  19          HG23      VAL  19 -15.768  12.885   8.648
  134    H    CYS  20           H        CYS  20 -16.879  17.118   7.474
  135    HA   CYS  20           HA       CYS  20 -16.863  19.446   9.086
  136    HB2  CYS  20           HB2      CYS  20 -16.257  19.341   6.698
  137    HB3  CYS  20           HB3      CYS  20 -17.940  18.987   6.259
  138    HG   CYS  20           HG       CYS  20 -17.038  21.606   8.049
  139    H    GLU  21           H        GLU  21 -19.649  17.458   8.097
  140    HA   GLU  21           HA       GLU  21 -21.605  19.405   9.141
  141    HB2  GLU  21           HB2      GLU  21 -22.022  18.126   7.067
  142    HB3  GLU  21           HB3      GLU  21 -22.000  16.615   7.987
  143    HG2  GLU  21           HG2      GLU  21 -23.956  17.366   9.297
  144    HG3  GLU  21           HG3      GLU  21 -23.924  18.932   8.479
  145    H    LYS  22           H        LYS  22 -20.721  15.976   9.889
  146    HA   LYS  22           HA       LYS  22 -22.345  15.669  12.197
  147    HB2  LYS  22           HB2      LYS  22 -21.311  13.862  10.774
  148    HB3  LYS  22           HB3      LYS  22 -19.727  14.337  11.362
  149    HG2  LYS  22           HG2      LYS  22 -20.268  12.406  12.600
  150    HG3  LYS  22           HG3      LYS  22 -20.544  13.720  13.730
  151    HD2  LYS  22           HD2      LYS  22 -23.018  13.558  13.101
  152    HD3  LYS  22           HD3      LYS  22 -22.590  12.109  12.142
  153    HE2  LYS  22           HE2      LYS  22 -21.684  11.025  14.168
  154    HE3  LYS  22           HE3      LYS  22 -22.061  12.463  15.130
  155    HZ1  LYS  22           HZ1      LYS  22 -24.081  10.770  13.754
  156    HZ2  LYS  22           HZ2      LYS  22 -23.780  10.763  15.361
  157    HZ3  LYS  22           HZ3      LYS  22 -24.415  12.092  14.661
  158    H    PHE  23           H        PHE  23 -18.906  16.582  11.923
  159    HA   PHE  23           HA       PHE  23 -18.641  16.864  14.845
  160    HB2  PHE  23           HB2      PHE  23 -17.082  15.675  12.963
  161    HB3  PHE  23           HB3      PHE  23 -16.345  17.270  12.956
  162    HD1  PHE  23           HD1      PHE  23 -17.639  14.700  15.383
  163    HD2  PHE  23           HD2      PHE  23 -14.517  17.527  14.453
  164    HE1  PHE  23           HE1      PHE  23 -16.387  13.963  17.384
  165    HE2  PHE  23           HE2      PHE  23 -13.238  16.760  16.433
  166    HZ   PHE  23           HZ       PHE  23 -14.184  14.982  17.919
  167    H    GLU  24           H        GLU  24 -19.316  18.971  12.276
  168    HA   GLU  24           HA       GLU  24 -19.584  21.181  12.113
  169    HB2  GLU  24           HB2      GLU  24 -19.356  21.221  15.152
  170    HB3  GLU  24           HB3      GLU  24 -20.070  22.473  14.132
  171    HG2  GLU  24           HG2      GLU  24 -21.785  20.853  13.337
  172    HG3  GLU  24           HG3      GLU  24 -21.123  19.629  14.430
  173    H    CYS  25           H        CYS  25 -16.877  20.229  11.900
  174    HA   CYS  25           HA       CYS  25 -15.275  22.681  12.510
  175    HB2  CYS  25           HB2      CYS  25 -13.320  21.267  12.313
  176    HB3  CYS  25           HB3      CYS  25 -14.474  20.442  13.373
  177    HG   CYS  25           HG       CYS  25 -13.714  19.928  10.169
  178    H    THR  26           H        THR  26 -13.490  22.974  10.705
  179    HA   THR  26           HA       THR  26 -14.813  23.171   8.050
  180    HB   THR  26           HB       THR  26 -12.779  24.316   7.331
  181    HG1  THR  26           HG1      THR  26 -11.939  23.880  10.015
  182   HG21  THR  26          HG21      THR  26 -14.557  25.647   8.457
  183   HG22  THR  26          HG22      THR  26 -13.721  25.431  10.012
  184   HG23  THR  26          HG23      THR  26 -12.939  26.323   8.692
  185    H    GLU  27           H        GLU  27 -13.763  22.287   6.117
  186    HA   GLU  27           HA       GLU  27 -13.152  19.496   6.355
  187    HB2  GLU  27           HB2      GLU  27 -12.707  21.470   4.076
  188    HB3  GLU  27           HB3      GLU  27 -12.498  19.723   3.939
  189    HG2  GLU  27           HG2      GLU  27 -14.877  19.355   4.485
  190    HG3  GLU  27           HG3      GLU  27 -15.117  21.086   4.704
  191    H    SER  28           H        SER  28 -11.008  22.355   5.858
  192    HA   SER  28           HA       SER  28  -8.587  20.894   5.495
  193    HB2  SER  28           HB2      SER  28  -7.504  23.081   6.021
  194    HB3  SER  28           HB3      SER  28  -8.756  23.168   4.775
  195    HG   SER  28           HG       SER  28  -8.942  24.870   6.314
  196    H    GLU  29           H        GLU  29 -10.266  21.781   8.504
  197    HA   GLU  29           HA       GLU  29  -8.066  21.157  10.283
  198    HB2  GLU  29           HB2      GLU  29 -11.078  21.241  10.621
  199    HB3  GLU  29           HB3      GLU  29 -10.012  20.753  11.928
  200    HG2  GLU  29           HG2      GLU  29  -8.874  22.861  11.970
  201    HG3  GLU  29           HG3      GLU  29  -9.668  23.407  10.498
  202    H    VAL  30           H        VAL  30 -10.455  19.137   8.577
  203    HA   VAL  30           HA       VAL  30  -9.944  16.720  10.124
  204    HB   VAL  30           HB       VAL  30 -10.970  16.800   7.266
  205   HG11  VAL  30          HG11      VAL  30 -12.156  14.746   7.966
  206   HG12  VAL  30          HG12      VAL  30 -10.412  14.568   8.157
  207   HG13  VAL  30          HG13      VAL  30 -11.429  14.874   9.582
  208   HG21  VAL  30          HG21      VAL  30 -13.265  16.877   8.238
  209   HG22  VAL  30          HG22      VAL  30 -12.546  17.218   9.839
  210   HG23  VAL  30          HG23      VAL  30 -12.377  18.366   8.493
  211    H    MET  31           H        MET  31  -8.804  18.033   7.000
  212    HA   MET  31           HA       MET  31  -6.887  15.978   6.388
  213    HB2  MET  31           HB2      MET  31  -7.067  18.925   5.630
  214    HB3  MET  31           HB3      MET  31  -5.866  17.815   4.968
  215    HG2  MET  31           HG2      MET  31  -7.628  16.363   4.088
  216    HG3  MET  31           HG3      MET  31  -8.882  17.415   4.759
  217    HE1  MET  31           HE1      MET  31  -9.992  17.312   2.358
  218    HE2  MET  31           HE2      MET  31  -9.166  17.808   0.865
  219    HE3  MET  31           HE3      MET  31  -8.630  16.354   1.728
  220    H    ASN  32           H        ASN  32  -6.476  19.071   8.210
  221    HA   ASN  32           HA       ASN  32  -3.741  19.026   8.580
  222    HB2  ASN  32           HB2      ASN  32  -5.193  20.873   9.246
  223    HB3  ASN  32           HB3      ASN  32  -5.910  19.902  10.531
  224   HD21  ASN  32          HD22      ASN  32  -4.677  19.525  12.495
  225   HD22  ASN  32          HD21      ASN  32  -3.222  20.454  12.802
  226    H    SER  33           H        SER  33  -6.055  17.536  10.995
  227    HA   SER  33           HA       SER  33  -3.891  16.438  12.516
  228    HB2  SER  33           HB2      SER  33  -6.808  15.609  12.476
  229    HB3  SER  33           HB3      SER  33  -5.591  15.118  13.676
  230    HG   SER  33           HG       SER  33  -6.647  16.899  14.500
  231    H    LEU  34           H        LEU  34  -5.203  15.229   9.549
  232    HA   LEU  34           HA       LEU  34  -4.185  12.486  10.008
  233    HB2  LEU  34           HB2      LEU  34  -5.579  13.883   7.684
  234    HB3  LEU  34           HB3      LEU  34  -5.022  12.215   7.615
  235    HG   LEU  34           HG       LEU  34  -7.029  13.218   9.689
  236   HD11  LEU  34          HD11      LEU  34  -7.898  13.491   7.392
  237   HD12  LEU  34          HD12      LEU  34  -7.568  11.778   7.058
  238   HD13  LEU  34          HD13      LEU  34  -8.766  12.244   8.291
  239   HD21  LEU  34          HD21      LEU  34  -5.870  11.117  10.339
  240   HD22  LEU  34          HD22      LEU  34  -7.567  10.819   9.949
  241   HD23  LEU  34          HD23      LEU  34  -6.300  10.395   8.775
  242    H    TYR  35           H        TYR  35  -3.197  15.514   8.473
  243    HA   TYR  35           HA       TYR  35  -1.002  14.141   6.992
  244    HB2  TYR  35           HB2      TYR  35  -2.103  16.970   6.851
  245    HB3  TYR  35           HB3      TYR  35  -0.831  16.324   5.832
  246    HD1  TYR  35           HD2      TYR  35  -2.920  13.551   5.887
  247    HD2  TYR  35           HD1      TYR  35  -2.862  17.632   4.482
  248    HE1  TYR  35           HE2      TYR  35  -4.600  12.983   4.177
  249    HE2  TYR  35           HE1      TYR  35  -4.503  17.038   2.710
  250    HH   TYR  35           HH       TYR  35  -5.686  13.685   2.296
  251    H    SER  36           H        SER  36  -1.402  16.764   9.398
  252    HA   SER  36           HA       SER  36   1.574  16.794   9.855
  253    HB2  SER  36           HB2      SER  36   1.312  19.229  10.214
  254    HB3  SER  36           HB3      SER  36   0.893  18.739   8.568
  255    HG   SER  36           HG       SER  36  -0.628  20.217   9.543
  256    H    GLY  37           H        GLY  37  -1.546  16.557  11.404
  257    HA2  GLY  37           HA2      GLY  37  -0.412  16.980  14.127
  258    HA3  GLY  37           HA3      GLY  37  -2.080  16.560  13.720
  259    H    ASP  38           H        ASP  38  -2.489  14.666  14.701
  260    HA   ASP  38           HA       ASP  38  -0.863  12.313  13.995
  261    HB2  ASP  38           HB2      ASP  38   0.006  13.129  16.146
  262    HB3  ASP  38           HB3      ASP  38  -1.610  13.035  16.851
  263    HA   PRO  39           HA       PRO  39  -4.917  10.693  13.180
  264    HB2  PRO  39           HB2      PRO  39  -3.701   8.068  14.057
  265    HB3  PRO  39           HB3      PRO  39  -4.752   8.399  12.643
  266    HG2  PRO  39           HG2      PRO  39  -2.081   8.222  12.309
  267    HG3  PRO  39           HG3      PRO  39  -2.986   9.556  11.514
  268    HD2  PRO  39           HD2      PRO  39  -1.352   9.641  14.064
  269    HD3  PRO  39           HD3      PRO  39  -1.411  10.807  12.703
  270    H    GLN  40           H        GLN  40  -3.613  10.423  16.392
  271    HA   GLN  40           HA       GLN  40  -6.018   9.186  17.587
  272    HB2  GLN  40           HB2      GLN  40  -3.473  10.366  18.775
  273    HB3  GLN  40           HB3      GLN  40  -4.730   9.562  19.710
  274    HG2  GLN  40           HG2      GLN  40  -4.327   7.437  18.680
  275    HG3  GLN  40           HG3      GLN  40  -3.291   8.136  17.438
  276   HE21  GLN  40          HE22      GLN  40  -1.271   9.280  18.218
  277   HE22  GLN  40          HE21      GLN  40  -0.424   8.524  19.581
  278    H    ASP  41           H        ASP  41  -5.215  12.328  16.559
  279    HA   ASP  41           HA       ASP  41  -6.480  13.910  18.622
  280    HB2  ASP  41           HB2      ASP  41  -4.842  14.866  17.087
  281    HB3  ASP  41           HB3      ASP  41  -5.847  14.425  15.702
  282    H    GLN  42           H        GLN  42  -8.480  14.975  18.554
  283    HA   GLN  42           HA       GLN  42 -10.750  13.424  18.118
  284    HB2  GLN  42           HB2      GLN  42 -10.443  16.452  18.272
  285    HB3  GLN  42           HB3      GLN  42 -11.985  15.607  18.341
  286    HG2  GLN  42           HG2      GLN  42 -11.245  14.372  20.368
  287    HG3  GLN  42           HG3      GLN  42  -9.707  15.234  20.331
  288   HE21  GLN  42          HE22      GLN  42 -13.261  15.707  20.755
  289   HE22  GLN  42          HE21      GLN  42 -13.085  17.216  21.631
  290    H    LEU  43           H        LEU  43  -9.362  15.800  15.780
  291    HA   LEU  43           HA       LEU  43 -11.621  15.648  13.943
  292    HB2  LEU  43           HB2      LEU  43  -8.750  16.616  13.696
  293    HB3  LEU  43           HB3      LEU  43  -9.938  16.810  12.425
  294    HG   LEU  43           HG       LEU  43 -10.575  17.864  15.203
  295   HD11  LEU  43          HD11      LEU  43  -8.380  18.783  14.791
  296   HD12  LEU  43          HD12      LEU  43  -8.833  19.272  13.152
  297   HD13  LEU  43          HD13      LEU  43  -9.595  20.051  14.554
  298   HD21  LEU  43          HD21      LEU  43 -12.354  17.814  13.479
  299   HD22  LEU  43          HD22      LEU  43 -11.918  19.471  13.919
  300   HD23  LEU  43          HD23      LEU  43 -11.333  18.775  12.393
  301    H    ALA  44           H        ALA  44  -8.554  13.877  14.218
  302    HA   ALA  44           HA       ALA  44  -8.964  12.366  11.729
  303    HB1  ALA  44           HB1      ALA  44  -7.037  12.025  14.074
  304    HB2  ALA  44           HB2      ALA  44  -7.011  11.095  12.559
  305    HB3  ALA  44           HB3      ALA  44  -6.701  12.842  12.527
  306    H    VAL  45           H        VAL  45  -9.473  11.791  15.220
  307    HA   VAL  45           HA       VAL  45 -10.509   9.129  14.992
  308    HB   VAL  45           HB       VAL  45 -10.915  11.314  17.055
  309   HG11  VAL  45          HG11      VAL  45 -11.847   9.548  18.568
  310   HG12  VAL  45          HG12      VAL  45 -12.930   9.975  17.240
  311   HG13  VAL  45          HG13      VAL  45 -11.990   8.464  17.166
  312   HG21  VAL  45          HG21      VAL  45  -9.411   8.659  17.139
  313   HG22  VAL  45          HG22      VAL  45  -8.656  10.236  16.883
  314   HG23  VAL  45          HG23      VAL  45  -9.455   9.890  18.420
  315    H    ALA  46           H        ALA  46 -12.238  12.321  14.800
  316    HA   ALA  46           HA       ALA  46 -14.843  11.332  14.284
  317    HB1  ALA  46           HB1      ALA  46 -15.220  13.519  13.278
  318    HB2  ALA  46           HB2      ALA  46 -14.237  13.688  14.743
  319    HB3  ALA  46           HB3      ALA  46 -13.473  13.811  13.151
  320    H    TYR  47           H        TYR  47 -12.261  12.128  11.865
  321    HA   TYR  47           HA       TYR  47 -13.585  11.142   9.565
  322    HB2  TYR  47           HB2      TYR  47 -11.601  12.434   9.341
  323    HB3  TYR  47           HB3      TYR  47 -10.648  11.320  10.299
  324    HD1  TYR  47           HD2      TYR  47 -12.381  11.734   7.016
  325    HD2  TYR  47           HD1      TYR  47  -9.600   9.394   9.345
  326    HE1  TYR  47           HE2      TYR  47 -11.728  10.471   4.977
  327    HE2  TYR  47           HE1      TYR  47  -8.950   8.128   7.304
  328    HH   TYR  47           HH       TYR  47 -10.552   8.627   4.151
  329    H    HIS  48           H        HIS  48 -11.441   9.252  11.791
  330    HA   HIS  48           HA       HIS  48 -11.746   6.784  10.405
  331    HB2  HIS  48           HB2      HIS  48 -10.110   7.422  12.255
  332    HB3  HIS  48           HB3      HIS  48 -11.387   7.071  13.418
  333    HD1  HIS  48           HD1      HIS  48 -12.454   4.267  12.105
  334    HD2  HIS  48           HD2      HIS  48  -8.451   5.493  12.658
  335    HE1  HIS  48           HE1      HIS  48 -11.060   2.162  12.128
  336    H    LEU  49           H        LEU  49 -13.730   8.035  13.164
  337    HA   LEU  49           HA       LEU  49 -15.520   5.804  13.306
  338    HB2  LEU  49           HB2      LEU  49 -15.745   8.742  14.095
  339    HB3  LEU  49           HB3      LEU  49 -17.011   7.572  14.455
  340    HG   LEU  49           HG       LEU  49 -14.148   7.213  15.441
  341   HD11  LEU  49          HD11      LEU  49 -14.920   8.128  17.589
  342   HD12  LEU  49          HD12      LEU  49 -15.067   9.344  16.310
  343   HD13  LEU  49          HD13      LEU  49 -16.512   8.488  16.887
  344   HD21  LEU  49          HD21      LEU  49 -15.564   5.163  15.422
  345   HD22  LEU  49          HD22      LEU  49 -15.202   5.694  17.072
  346   HD23  LEU  49          HD23      LEU  49 -16.802   6.007  16.367
  347    H    ILE  50           H        ILE  50 -15.652   8.760  11.332
  348    HA   ILE  50           HA       ILE  50 -18.291   8.134  10.222
  349    HB   ILE  50           HB       ILE  50 -16.149  10.201   9.699
  350   HG12  ILE  50          HG12      ILE  50 -19.080  10.415  10.568
  351   HG13  ILE  50          HG13      ILE  50 -17.759  10.207  11.712
  352   HG21  ILE  50          HG21      ILE  50 -18.727   9.901   8.112
  353   HG22  ILE  50          HG22      ILE  50 -17.638  11.309   8.075
  354   HG23  ILE  50          HG23      ILE  50 -17.072   9.754   7.473
  355   HD11  ILE  50          HD11      ILE  50 -18.166  12.588   9.891
  356   HD12  ILE  50          HD12      ILE  50 -18.288  12.516  11.661
  357   HD13  ILE  50          HD13      ILE  50 -16.723  12.299  10.913
  358    H    ILE  51           H        ILE  51 -14.965   7.503   9.120
  359    HA   ILE  51           HA       ILE  51 -15.743   6.259   6.613
  360    HB   ILE  51           HB       ILE  51 -13.356   6.006   8.490
  361   HG12  ILE  51          HG12      ILE  51 -13.672   8.081   7.025
  362   HG13  ILE  51          HG13      ILE  51 -12.123   7.258   6.972
  363   HG21  ILE  51          HG21      ILE  51 -13.465   3.803   7.551
  364   HG22  ILE  51          HG22      ILE  51 -13.732   4.443   5.918
  365   HG23  ILE  51          HG23      ILE  51 -12.169   4.677   6.735
  366   HD11  ILE  51          HD11      ILE  51 -12.964   8.035   4.751
  367   HD12  ILE  51          HD12      ILE  51 -12.602   6.307   4.798
  368   HD13  ILE  51          HD13      ILE  51 -14.289   6.864   4.870
  369    H    ASP  52           H        ASP  52 -15.279   4.921   9.926
  370    HA   ASP  52           HA       ASP  52 -16.122   2.264   9.304
  371    HB2  ASP  52           HB2      ASP  52 -16.346   3.827  11.904
  372    HB3  ASP  52           HB3      ASP  52 -16.630   2.097  11.729
  373    H    ASN  53           H        ASN  53 -18.088   5.088  10.453
  374    HA   ASN  53           HA       ASN  53 -20.573   3.785  10.529
  375    HB2  ASN  53           HB2      ASN  53 -20.155   6.101  11.361
  376    HB3  ASN  53           HB3      ASN  53 -20.066   6.679   9.696
  377   HD21  ASN  53          HD22      ASN  53 -22.210   5.636  12.285
  378   HD22  ASN  53          HD21      ASN  53 -23.703   5.933  11.410
  379    H    ARG  54           H        ARG  54 -19.164   5.588   7.747
  380    HA   ARG  54           HA       ARG  54 -21.204   5.014   5.868
  381    HB2  ARG  54           HB2      ARG  54 -18.255   5.673   5.546
  382    HB3  ARG  54           HB3      ARG  54 -19.371   5.553   4.182
  383    HG2  ARG  54           HG2      ARG  54 -20.702   7.407   4.969
  384    HG3  ARG  54           HG3      ARG  54 -19.856   7.452   6.520
  385    HD2  ARG  54           HD2      ARG  54 -18.964   9.219   5.139
  386    HD3  ARG  54           HD3      ARG  54 -17.724   7.970   5.345
  387    HE   ARG  54           HE       ARG  54 -19.474   8.345   2.907
  388   HH11  ARG  54          HH11      ARG  54 -16.326   7.256   4.151
  389   HH12  ARG  54          HH12      ARG  54 -15.694   7.101   2.519
  390   HH21  ARG  54          HH21      ARG  54 -18.617   7.949   0.927
  391   HH22  ARG  54          HH22      ARG  54 -16.955   7.393   0.766
  392    H    ARG  55           H        ARG  55 -18.046   3.377   6.229
  393    HA   ARG  55           HA       ARG  55 -18.697   1.509   4.071
  394    HB2  ARG  55           HB2      ARG  55 -16.239   1.695   5.858
  395    HB3  ARG  55           HB3      ARG  55 -16.416   0.650   4.445
  396    HG2  ARG  55           HG2      ARG  55 -16.814   2.678   3.016
  397    HG3  ARG  55           HG3      ARG  55 -16.487   3.700   4.426
  398    HD2  ARG  55           HD2      ARG  55 -14.224   2.640   4.610
  399    HD3  ARG  55           HD3      ARG  55 -14.560   1.733   3.123
  400    HE   ARG  55           HE       ARG  55 -15.035   4.378   2.434
  401   HH11  ARG  55          HH11      ARG  55 -12.221   2.536   3.509
  402   HH12  ARG  55          HH12      ARG  55 -11.096   3.597   2.723
  403   HH21  ARG  55          HH21      ARG  55 -13.513   5.798   1.503
  404   HH22  ARG  55          HH22      ARG  55 -11.826   5.381   1.567
  405    H    ILE  56           H        ILE  56 -18.469   1.196   7.624
  406    HA   ILE  56           HA       ILE  56 -18.963  -1.755   7.411
  407    HB   ILE  56           HB       ILE  56 -18.094  -0.171   9.853
  408   HG12  ILE  56          HG12      ILE  56 -16.344   0.182   8.191
  409   HG13  ILE  56          HG13      ILE  56 -15.802  -0.887   9.463
  410   HG21  ILE  56          HG21      ILE  56 -18.987  -2.308  10.476
  411   HG22  ILE  56          HG22      ILE  56 -18.053  -3.142   9.220
  412   HG23  ILE  56          HG23      ILE  56 -17.237  -2.395  10.611
  413   HD11  ILE  56          HD11      ILE  56 -16.669  -1.793   6.679
  414   HD12  ILE  56          HD12      ILE  56 -15.006  -1.625   7.263
  415   HD13  ILE  56          HD13      ILE  56 -16.066  -2.850   7.979
  416    H    MET  57           H        MET  57 -20.450   1.172   8.643
  417    HA   MET  57           HA       MET  57 -22.785   1.428   8.997
  418    HB2  MET  57           HB2      MET  57 -23.390  -0.982   8.896
  419    HB3  MET  57           HB3      MET  57 -22.782  -1.179  10.556
  420    HG2  MET  57           HG2      MET  57 -24.446   0.476  11.342
  421    HG3  MET  57           HG3      MET  57 -25.009   0.701   9.684
  422    HE1  MET  57           HE1      MET  57 -28.011  -1.084  11.416
  423    HE2  MET  57           HE2      MET  57 -26.900   0.094  12.147
  424    HE3  MET  57           HE3      MET  57 -27.475   0.329  10.483
  425    H    ASN  58           H        ASN  58 -20.409   0.143  11.251
  426    HA   ASN  58           HA       ASN  58 -20.145   2.570  12.719
  427    HB2  ASN  58           HB2      ASN  58 -22.302   1.656  13.750
  428    HB3  ASN  58           HB3      ASN  58 -21.382   0.255  14.275
  429   HD21  ASN  58          HD22      ASN  58 -21.160   0.498  16.508
  430   HD22  ASN  58          HD21      ASN  58 -20.672   2.000  17.282
  431    H    GLN  59           H        GLN  59 -18.407   2.326  14.460
  432    HA   GLN  59           HA       GLN  59 -16.270   0.609  13.562
  433    HB2  GLN  59           HB2      GLN  59 -15.995   2.852  14.585
  434    HB3  GLN  59           HB3      GLN  59 -16.544   2.214  16.145
  435    HG2  GLN  59           HG2      GLN  59 -14.597   0.729  16.271
  436    HG3  GLN  59           HG3      GLN  59 -14.115   1.151  14.627
  437   HE21  GLN  59          HE22      GLN  59 -13.475   3.459  14.236
  438   HE22  GLN  59          HE21      GLN  59 -12.665   4.301  15.572
  439    H    ALA  60           H        ALA  60 -18.760   0.126  16.035
  440    HA   ALA  60           HA       ALA  60 -17.793  -2.641  16.471
  441    HB1  ALA  60           HB1      ALA  60 -17.948  -2.362  18.922
  442    HB2  ALA  60           HB2      ALA  60 -16.744  -1.255  18.243
  443    HB3  ALA  60           HB3      ALA  60 -18.343  -0.645  18.717
  444    H    SER  61           H        SER  61 -19.403  -3.955  17.717
  445    HA   SER  61           HA       SER  61 -22.146  -3.493  16.748
  446    HB2  SER  61           HB2      SER  61 -22.535  -5.755  17.735
  447    HB3  SER  61           HB3      SER  61 -21.292  -5.698  16.479
  448    HG   SER  61           HG       SER  61 -20.663  -6.950  18.324
  449    H    GLU  62           H        GLU  62 -24.013  -3.781  18.187
  450    HA   GLU  62           HA       GLU  62 -23.852  -2.149  20.617
  451    HB2  GLU  62           HB2      GLU  62 -26.186  -3.565  19.271
  452    HB3  GLU  62           HB3      GLU  62 -26.306  -2.538  20.700
  453    HG2  GLU  62           HG2      GLU  62 -25.385  -0.619  19.393
  454    HG3  GLU  62           HG3      GLU  62 -25.350  -1.635  17.952