*HEADER    APOPTOSIS                               30-MAR-10   2KW1              
*TITLE     SOLUTION STRUCTURE OF CTD                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FAS APOPTOTIC INHIBITORY MOLECULE 1;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 91-179;                                       
*COMPND   5 SYNONYM: CTD;                                                        
*COMPND   6 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: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    BETA-SHEETS, APOPTOSIS                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.MA, X.ZHENG, C.JIN                                                  
*REVDAT   1   13-APR-11 2KW1    0                                                


# 1387 atoms read from pdb file amber.pdb.
# 9 THR PHI:  (8 ASN C)-(9 THR N)-(9 THR CA)-(9 THR C) -152.7 -92.7
 &rst     iat =   127,   129,   131,   141,
   r1 = -153.7, r2 = -152.7, r3 = -92.7, r4 = -91.7,
   rk2 =   50.0, rk3 =   50.0,    &end

# 9 THR PSI:  (9 THR N)-(9 THR CA)-(9 THR C)-(10 TRP N) 102.5 162.5
 &rst     iat =   129,   131,   141,   143,
   r1 = 101.5, r2 = 102.5, r3 = 162.5, r4 = 163.5,
 &end

# 10 TRP PHI:  (9 THR C)-(10 TRP N)-(10 TRP CA)-(10 TRP C) -166.0 -106.0
 &rst     iat =   141,   143,   145,   165,
   r1 = -167.0, r2 = -166.0, r3 = -106.0, r4 = -105.0,
 &end

# 10 TRP PSI:  (10 TRP N)-(10 TRP CA)-(10 TRP C)-(11 VAL N) 116.8 176.8
 &rst     iat =   143,   145,   165,   167,
   r1 = 115.8, r2 = 116.8, r3 = 176.8, r4 = 177.8,
 &end

# 11 VAL PHI:  (10 TRP C)-(11 VAL N)-(11 VAL CA)-(11 VAL C) -139.3 -79.3
 &rst     iat =   165,   167,   169,   181,
   r1 = -140.3, r2 = -139.3, r3 = -79.3, r4 = -78.3,
 &end

# 11 VAL PSI:  (11 VAL N)-(11 VAL CA)-(11 VAL C)-(12 LEU N) 106.1 166.1
 &rst     iat =   167,   169,   181,   183,
   r1 = 105.1, r2 = 106.1, r3 = 166.1, r4 = 167.1,
 &end

# 12 LEU PHI:  (11 VAL C)-(12 LEU N)-(12 LEU CA)-(12 LEU C) -155.3 -95.3
 &rst     iat =   181,   183,   185,   200,
   r1 = -156.3, r2 = -155.3, r3 = -95.3, r4 = -94.3,
 &end

# 12 LEU PSI:  (12 LEU N)-(12 LEU CA)-(12 LEU C)-(13 HIS N)  96.6 156.6
 &rst     iat =   183,   185,   200,   202,
   r1 =  95.6, r2 =  96.6, r3 = 156.6, r4 = 157.6,
 &end

# 13 HIS PHI:  (12 LEU C)-(13 HIS N)-(13 HIS CA)-(13 HIS C) -136.7 -76.7
 &rst     iat =   200,   202,   204,   217,
   r1 = -137.7, r2 = -136.7, r3 = -76.7, r4 = -75.7,
 &end

# 13 HIS PSI:  (13 HIS N)-(13 HIS CA)-(13 HIS C)-(14 MET N)  99.2 159.2
 &rst     iat =   202,   204,   217,   219,
   r1 =  98.2, r2 =  99.2, r3 = 159.2, r4 = 160.2,
 &end

# 19 PHE PHI:  (18 ASN C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -142.9 -82.9
 &rst     iat =   282,   284,   286,   302,
   r1 = -143.9, r2 = -142.9, r3 = -82.9, r4 = -81.9,
 &end

# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 ARG N) 102.3 162.3
 &rst     iat =   284,   286,   302,   304,
   r1 = 101.3, r2 = 102.3, r3 = 162.3, r4 = 163.3,
 &end

# 20 ARG PHI:  (19 PHE C)-(20 ARG N)-(20 ARG CA)-(20 ARG C) -132.1 -72.1
 &rst     iat =   302,   304,   306,   326,
   r1 = -133.1, r2 = -132.1, r3 = -72.1, r4 = -71.1,
 &end

# 20 ARG PSI:  (20 ARG N)-(20 ARG CA)-(20 ARG C)-(21 ILE N)  92.8 152.8
 &rst     iat =   304,   306,   326,   328,
   r1 =  91.8, r2 =  92.8, r3 = 152.8, r4 = 153.8,
 &end

# 21 ILE PHI:  (20 ARG C)-(21 ILE N)-(21 ILE CA)-(21 ILE C) -142.1 -82.1
 &rst     iat =   326,   328,   330,   345,
   r1 = -143.1, r2 = -142.1, r3 = -82.1, r4 = -81.1,
 &end

# 21 ILE PSI:  (21 ILE N)-(21 ILE CA)-(21 ILE C)-(22 VAL N)  94.7 154.7
 &rst     iat =   328,   330,   345,   347,
   r1 =  93.7, r2 =  94.7, r3 = 154.7, r4 = 155.7,
 &end

# 22 VAL PHI:  (21 ILE C)-(22 VAL N)-(22 VAL CA)-(22 VAL C) -154.3 -94.3
 &rst     iat =   345,   347,   349,   361,
   r1 = -155.3, r2 = -154.3, r3 = -94.3, r4 = -93.3,
 &end

# 22 VAL PSI:  (22 VAL N)-(22 VAL CA)-(22 VAL C)-(23 LEU N) 104.8 164.8
 &rst     iat =   347,   349,   361,   363,
   r1 = 103.8, r2 = 104.8, r3 = 164.8, r4 = 165.8,
 &end

# 23 LEU PHI:  (22 VAL C)-(23 LEU N)-(23 LEU CA)-(23 LEU C) -148.7 -88.7
 &rst     iat =   361,   363,   365,   380,
   r1 = -149.7, r2 = -148.7, r3 = -88.7, r4 = -87.7,
 &end

# 23 LEU PSI:  (23 LEU N)-(23 LEU CA)-(23 LEU C)-(24 GLU N)  94.6 154.6
 &rst     iat =   363,   365,   380,   382,
   r1 =  93.6, r2 =  94.6, r3 = 154.6, r4 = 155.6,
 &end

# 24 GLU PHI:  (23 LEU C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -123.5 -63.5
 &rst     iat =   380,   382,   384,   395,
   r1 = -124.5, r2 = -123.5, r3 = -63.5, r4 = -62.5,
 &end

# 24 GLU PSI:  (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 LYS N) 113.5 173.5
 &rst     iat =   382,   384,   395,   397,
   r1 = 112.5, r2 = 113.5, r3 = 173.5, r4 = 174.5,
 &end

# 30 VAL PHI:  (29 ASP C)-(30 VAL N)-(30 VAL CA)-(30 VAL C) -146.8 -86.8
 &rst     iat =   468,   470,   472,   484,
   r1 = -147.8, r2 = -146.8, r3 = -86.8, r4 = -85.8,
 &end

# 30 VAL PSI:  (30 VAL N)-(30 VAL CA)-(30 VAL C)-(31 TRP N)  89.7 149.7
 &rst     iat =   470,   472,   484,   486,
   r1 =  88.7, r2 =  89.7, r3 = 149.7, r4 = 150.7,
 &end

# 31 TRP PHI:  (30 VAL C)-(31 TRP N)-(31 TRP CA)-(31 TRP C) -145.8 -85.8
 &rst     iat =   484,   486,   488,   508,
   r1 = -146.8, r2 = -145.8, r3 = -85.8, r4 = -84.8,
 &end

# 31 TRP PSI:  (31 TRP N)-(31 TRP CA)-(31 TRP C)-(32 CYS N) 100.5 160.5
 &rst     iat =   486,   488,   508,   510,
   r1 =  99.5, r2 = 100.5, r3 = 160.5, r4 = 161.5,
 &end

# 32 CYS PHI:  (31 TRP C)-(32 CYS N)-(32 CYS CA)-(32 CYS C) -149.5 -89.5
 &rst     iat =   508,   510,   512,   519,
   r1 = -150.5, r2 = -149.5, r3 = -89.5, r4 = -88.5,
 &end

# 32 CYS PSI:  (32 CYS N)-(32 CYS CA)-(32 CYS C)-(33 ASN N)  84.2 144.2
 &rst     iat =   510,   512,   519,   521,
   r1 =  83.2, r2 =  84.2, r3 = 144.2, r4 = 145.2,
 &end

# 48 THR PHI:  (47 GLY C)-(48 THR N)-(48 THR CA)-(48 THR C) -145.2 -85.2
 &rst     iat =   731,   733,   735,   745,
   r1 = -146.2, r2 = -145.2, r3 = -85.2, r4 = -84.2,
 &end

# 48 THR PSI:  (48 THR N)-(48 THR CA)-(48 THR C)-(49 GLU N) 116.3 176.3
 &rst     iat =   733,   735,   745,   747,
   r1 = 115.3, r2 = 116.3, r3 = 176.3, r4 = 177.3,
 &end

# 49 GLU PHI:  (48 THR C)-(49 GLU N)-(49 GLU CA)-(49 GLU C) -162.3 -102.3
 &rst     iat =   745,   747,   749,   760,
   r1 = -163.3, r2 = -162.3, r3 = -102.3, r4 = -101.3,
 &end

# 49 GLU PSI:  (49 GLU N)-(49 GLU CA)-(49 GLU C)-(50 THR N) 106.9 166.9
 &rst     iat =   747,   749,   760,   762,
   r1 = 105.9, r2 = 106.9, r3 = 166.9, r4 = 167.9,
 &end

# 50 THR PHI:  (49 GLU C)-(50 THR N)-(50 THR CA)-(50 THR C) -126.8 -66.8
 &rst     iat =   760,   762,   764,   774,
   r1 = -127.8, r2 = -126.8, r3 = -66.8, r4 = -65.8,
 &end

# 50 THR PSI:  (50 THR N)-(50 THR CA)-(50 THR C)-(51 HIS N)  93.4 153.4
 &rst     iat =   762,   764,   774,   776,
   r1 =  92.4, r2 =  93.4, r3 = 153.4, r4 = 154.4,
 &end

# 52 PHE PHI:  (51 HIS C)-(52 PHE N)-(52 PHE CA)-(52 PHE C) -177.8 -117.8
 &rst     iat =   791,   793,   795,   811,
   r1 = -178.8, r2 = -177.8, r3 = -117.8, r4 = -116.8,
 &end

# 52 PHE PSI:  (52 PHE N)-(52 PHE CA)-(52 PHE C)-(53 SER N) 130.3 190.3
 &rst     iat =   793,   795,   811,   813,
   r1 = 129.3, r2 = 130.3, r3 = 190.3, r4 = 191.3,
 &end

# 53 SER PHI:  (52 PHE C)-(53 SER N)-(53 SER CA)-(53 SER C) -153.1 -93.0
 &rst     iat =   811,   813,   815,   822,
   r1 = -154.1, r2 = -153.1, r3 = -93.0, r4 = -92.0,
 &end

# 53 SER PSI:  (53 SER N)-(53 SER CA)-(53 SER C)-(54 ILE N) 117.0 177.0
 &rst     iat =   813,   815,   822,   824,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end

# 54 ILE PHI:  (53 SER C)-(54 ILE N)-(54 ILE CA)-(54 ILE C) -144.3 -84.3
 &rst     iat =   822,   824,   826,   841,
   r1 = -145.3, r2 = -144.3, r3 = -84.3, r4 = -83.3,
 &end

# 54 ILE PSI:  (54 ILE N)-(54 ILE CA)-(54 ILE C)-(55 GLY N)  94.7 154.7
 &rst     iat =   824,   826,   841,   843,
   r1 =  93.7, r2 =  94.7, r3 = 154.7, r4 = 155.7,
 &end

# 58 ASP PHI:  (57 HIS C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -141.3 -81.3
 &rst     iat =   879,   881,   883,   891,
   r1 = -142.3, r2 = -141.3, r3 = -81.3, r4 = -80.3,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 CYS N) 100.2 160.2
 &rst     iat =   881,   883,   891,   893,
   r1 =  99.2, r2 = 100.2, r3 = 160.2, r4 = 161.2,
 &end

# 59 CYS PHI:  (58 ASP C)-(59 CYS N)-(59 CYS CA)-(59 CYS C) -150.9 -90.9
 &rst     iat =   891,   893,   895,   902,
   r1 = -151.9, r2 = -150.9, r3 = -90.9, r4 = -89.9,
 &end

# 59 CYS PSI:  (59 CYS N)-(59 CYS CA)-(59 CYS C)-(60 TYR N) 130.4 190.4
 &rst     iat =   893,   895,   902,   904,
   r1 = 129.4, r2 = 130.4, r3 = 190.4, r4 = 191.4,
 &end

# 60 TYR PHI:  (59 CYS C)-(60 TYR N)-(60 TYR CA)-(60 TYR C) -184.9 -124.9
 &rst     iat =   902,   904,   906,   923,
   r1 = -185.9, r2 = -184.9, r3 = -124.9, r4 = -123.9,
 &end

# 60 TYR PSI:  (60 TYR N)-(60 TYR CA)-(60 TYR C)-(61 ILE N) 129.4 189.4
 &rst     iat =   904,   906,   923,   925,
   r1 = 128.4, r2 = 129.4, r3 = 189.4, r4 = 190.4,
 &end

# 61 ILE PHI:  (60 TYR C)-(61 ILE N)-(61 ILE CA)-(61 ILE C) -148.7 -88.7
 &rst     iat =   923,   925,   927,   942,
   r1 = -149.7, r2 = -148.7, r3 = -88.7, r4 = -87.7,
 &end

# 61 ILE PSI:  (61 ILE N)-(61 ILE CA)-(61 ILE C)-(62 LYS N) 102.0 162.0
 &rst     iat =   925,   927,   942,   944,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end

# 62 LYS PHI:  (61 ILE C)-(62 LYS N)-(62 LYS CA)-(62 LYS C) -148.7 -58.7
 &rst     iat =   942,   944,   946,   964,
   r1 = -149.7, r2 = -148.7, r3 = -58.7, r4 = -57.7,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 ALA N)  94.4 154.4
 &rst     iat =   944,   946,   964,   966,
   r1 =  93.4, r2 =  94.4, r3 = 154.4, r4 = 155.4,
 &end

# 63 ALA PHI:  (62 LYS C)-(63 ALA N)-(63 ALA CA)-(63 ALA C) -141.4 -81.4
 &rst     iat =   964,   966,   968,   974,
   r1 = -142.4, r2 = -141.4, r3 = -81.4, r4 = -80.4,
 &end

# 63 ALA PSI:  (63 ALA N)-(63 ALA CA)-(63 ALA C)-(64 VAL N)  70.5 160.5
 &rst     iat =   966,   968,   974,   976,
   r1 =  69.5, r2 =  70.5, r3 = 160.5, r4 = 161.5,
 &end

# 64 VAL PHI:  (63 ALA C)-(64 VAL N)-(64 VAL CA)-(64 VAL C) -152.1 -62.1
 &rst     iat =   974,   976,   978,   990,
   r1 = -153.1, r2 = -152.1, r3 = -62.1, r4 = -61.1,
 &end

# 64 VAL PSI:  (64 VAL N)-(64 VAL CA)-(64 VAL C)-(65 SER N) 109.3 169.3
 &rst     iat =   976,   978,   990,   992,
   r1 = 108.3, r2 = 109.3, r3 = 169.3, r4 = 170.3,
 &end

# 76 THR PHI:  (75 HIS C)-(76 THR N)-(76 THR CA)-(76 THR C) -149.7 -89.7
 &rst     iat =  1164,  1166,  1168,  1178,
   r1 = -150.7, r2 = -149.7, r3 = -89.7, r4 = -88.7,
 &end

# 76 THR PSI:  (76 THR N)-(76 THR CA)-(76 THR C)-(77 LEU N) 100.0 160.0
 &rst     iat =  1166,  1168,  1178,  1180,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 77 LEU PHI:  (76 THR C)-(77 LEU N)-(77 LEU CA)-(77 LEU C) -139.1 -79.0
 &rst     iat =  1178,  1180,  1182,  1197,
   r1 = -140.1, r2 = -139.1, r3 = -79.0, r4 = -78.0,
 &end

# 77 LEU PSI:  (77 LEU N)-(77 LEU CA)-(77 LEU C)-(78 ILE N)  82.2 142.2
 &rst     iat =  1180,  1182,  1197,  1199,
   r1 =  81.2, r2 =  82.2, r3 = 142.2, r4 = 143.2,
 &end

# 78 ILE PHI:  (77 LEU C)-(78 ILE N)-(78 ILE CA)-(78 ILE C) -131.5 -71.5
 &rst     iat =  1197,  1199,  1201,  1216,
   r1 = -132.5, r2 = -131.5, r3 = -71.5, r4 = -70.5,
 &end

# 78 ILE PSI:  (78 ILE N)-(78 ILE CA)-(78 ILE C)-(79 VAL N)  91.3 151.3
 &rst     iat =  1199,  1201,  1216,  1218,
   r1 =  90.3, r2 =  91.3, r3 = 151.3, r4 = 152.3,
 &end

# 79 VAL PHI:  (78 ILE C)-(79 VAL N)-(79 VAL CA)-(79 VAL C) -156.9 -96.9
 &rst     iat =  1216,  1218,  1220,  1232,
   r1 = -157.9, r2 = -156.9, r3 = -96.9, r4 = -95.9,
 &end

# 79 VAL PSI:  (79 VAL N)-(79 VAL CA)-(79 VAL C)-(80 ASP N)  91.6 151.6
 &rst     iat =  1218,  1220,  1232,  1234,
   r1 =  90.6, r2 =  91.6, r3 = 151.6, r4 = 152.6,
 &end

#
#   31 TRP  HE1          31 TRP  HD1         2.80    (#      0:20  Unique         2.57, 2.57 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 497, 495, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   31 TRP  HN           31 TRP  HD1         4.50    (#      1:20  Unique         2.55, 3.02 A)
 &rst
  ixpk= 1, nxpk= 20, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 TRP  HA           31 TRP  HD1         5.50    (#      2:20  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 489, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 TRP  HB+          31 TRP  HD1         5.50    (#      3:20  Unique         2.76, 3.55 A)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 491, 492,
 &end
#
#   31 TRP  HB-          31 TRP  HD1         5.50    (#      4:20  Unique         2.76, 3.55 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 491, 492,
 &end
#
#   31 TRP  HE1          31 TRP  HZ2         5.50    (#      5:20  Unique         2.82, 2.82 A)
 &rst
  ixpk= 5, nxpk= 20, iat= 497, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:6       19 PHE  HD          5.50    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 285, 237,
 igr2= 293, 301,
 &end
#
#   19 PHE  HA           19 PHE  HD          5.50    (#      7:20  Unique         2.04, 3.47 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 293, 301,
 &end
#
#   19 PHE  HB+          19 PHE  HD          3.50    (#      8:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 289, 290,
 igr2= 293, 301,
 &end
#
#   19 PHE  HB-          19 PHE  HD          3.50    (#      9:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 289, 290,
 igr2= 293, 301,
 &end
#
#   12 LEU  HB-          19 PHE  HD          4.50    (#     10:20  Preassigned    2.89, 6.39 A)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 188, 189,
 igr2= 293, 301,
 &end
#
#    0 AMB  20-2:11      19 PHE  HD          4.50    (#     11:20  Single Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 224, 225, 188, 189,
 igr2= 293, 301,
 &end
#
#    0 AMB  20-2:12      19 PHE  HD          5.50    (#     12:20  Single Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 193, 194, 195, 197, 198, 199, 191, 342, 343, 344,
      
 igr2= 293, 301,
 &end
#
#   10 TRP  HE1          10 TRP  HD1         2.80    (#     13:20  Unique         2.57, 2.57 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   86 GLU  HA           10 TRP  HD1         3.50    (#     14:20  Unique         2.04, 5.13 A)
 &rst
  ixpk= 14, nxpk= 20, iat=1335, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:15      10 TRP  HD1         4.50    (#     15:20  Single Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 148, 149, 148, 149,
 &end
#
#    0 AMB  20-2:16      10 TRP  HD1         3.50    (#     16:20  Single Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1340,1341,1337,1338,1337,1338,1304,
 &end
#
#   84 ILE  QG2          10 TRP  HD1         3.50    (#     17:20  Unique         3.06, 4.33 A)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1306,1307,1308,
 &end
#
#   10 TRP  HE1          10 TRP  HZ2         5.50    (#     18:20  Unique         2.82, 2.82 A)
 &rst
  ixpk= 18, nxpk= 20, iat= 154, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ILE  QD1          10 TRP  HH2         5.50    (#     19:20  Preassigned    4.63,12.26 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 939, 940, 941,
 &end
#
#   10 TRP  HZ3          10 TRP  HE3         5.50    (#     20:20  Unique         2.46, 2.46 A)
 &rst
  ixpk= 20, nxpk= 20, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 HIS  HB-          13 HIS  HD2         4.50    (#     21:20  Unique         2.71, 3.32 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 207, 208,
 &end
#
#   13 HIS  HB+          13 HIS  HD2         3.50    (#     22:20  Unique         2.71, 3.32 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 207, 208,
 &end
#
#   13 HIS  HN           13 HIS  HD2         5.50    (#     23:20  Unique         2.36, 4.07 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 203, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LYS  HE-          75 HIS  HE1         5.50    (#     28:20  Preassigned    4.22, 7.97 A)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 411, 412,
 &end
#
#   25 LYS  HE+          75 HIS  HE1         5.50    (#     29:20  Unique         4.22, 7.97 A)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 411, 412,
 &end
#
#   73 ILE  HB           75 HIS  HE1         3.50    (#     31:20  Preassigned    3.17, 5.05 A)
 &rst
  ixpk= 31, nxpk= 20, iat=1116,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:32       0 AMB  20-1:32     4.50    (#     32:20  Double Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 373, 374, 375, 377, 378, 379,1125,1126,1127, 693,
       694, 695, 697, 698, 699,
 igr2=1160, 677, 681,
 &end
#
#   23 LEU  MDY          75 HIS  HE1         4.50    (#     33:20  Unique         3.99, 7.63 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   73 ILE  QG2          75 HIS  HE1         2.80    (#     34:20  Unique         2.51, 4.75 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1118,1119,1120,
 &end
#
#   73 ILE  HG1-          0 AMB  20-1:35     5.50    (#     35:20  Single Ambig)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,
 igr2=1160, 677, 681,
 &end
#
#   63 ALA  MB           75 HIS  HE1         4.50    (#     36:20  Unique         2.34, 5.59 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 971, 972, 973,
 &end
#
#    0 AMB  20-2:37      75 HIS  HE1         4.50    (#     37:20  Single Ambig)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 405, 406, 371,
 &end
#
#   60 TYR  HN           60 TYR  HD          3.50    (#     38:20  Preassigned    3.06, 4.50 A)
 &rst
  ixpk= 38, nxpk= 20, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 913, 922,
 &end
#
#   61 ILE  HN           60 TYR  HD          5.50    (#     39:20  Preassigned    2.55, 4.31 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 913, 922,
 &end
#
#   60 TYR  HA           60 TYR  HD          4.50    (#     41:20  Unique         2.27, 3.64 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 913, 922,
 &end
#
#   60 TYR  HB+          60 TYR  HD          2.80    (#     42:20  Preassigned    2.30, 3.05 A)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 909, 910,
 igr2= 913, 922,
 &end
#
#   60 TYR  HB-          60 TYR  HD          2.80    (#     43:20  Preassigned    2.30, 3.05 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 909, 910,
 igr2= 913, 922,
 &end
#
#    0 AMB  20-2:44      60 TYR  HD          2.80    (#     44:20  Single Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1204,1206,1207,1208,
 igr2= 913, 922,
 &end
#
#   78 ILE  HG1+         60 TYR  HD          5.50    (#     45:20  Preassigned    3.67, 6.14 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1210,1211,
 igr2= 913, 922,
 &end
#
#   57 HIS  HN           57 HIS  HD2         3.50    (#     47:20  Unique         2.90, 4.79 A)
 &rst
  ixpk= 47, nxpk= 20, iat= 865, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 HIS  HB+          57 HIS  HD2         3.50    (#     48:20  Unique         2.69, 3.37 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 869, 870,
 &end
#
#   57 HIS  HB-          57 HIS  HD2         5.50    (#     49:20  Unique         2.69, 3.37 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 869, 870,
 &end
#
#   14 MET  ME           57 HIS  HD2         2.80    (#     50:20  Unique         2.24, 5.64 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 231, 232, 233,
 &end
#
#   54 ILE  QG2          57 HIS  HD2         5.50    (#     51:20  Unique         2.78, 6.57 A)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 831, 832, 833,
 &end
#
#   55 GLY  HA+          57 HIS  HD2         5.50    (#     52:20  Unique         4.59, 7.99 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 846, 847,
 &end
#
#   52 PHE  HN           52 PHE  HD          5.50    (#     53:20  Preassigned    2.30, 4.04 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 802, 810,
 &end
#
#   52 PHE  HA           52 PHE  HD          4.50    (#     54:20  Unique         2.37, 4.05 A)
 &rst
  ixpk= 54, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 802, 810,
 &end
#
#   52 PHE  HB+          52 PHE  HD          2.80    (#     55:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 798, 799,
 igr2= 802, 810,
 &end
#
#   52 PHE  HB-          52 PHE  HD          2.80    (#     56:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 798, 799,
 igr2= 802, 810,
 &end
#
#   59 CYS  HB+          52 PHE  HD          5.50    (#     57:20  Preassigned    3.35, 5.18 A)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 898, 899,
 igr2= 802, 810,
 &end
#
#    0 AMB  20-2:58      52 PHE  HD          2.80    (#     58:20  Single Ambig)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 936, 937, 835, 836,
 igr2= 802, 810,
 &end
#
#   50 THR  MG2          52 PHE  HD          2.80    (#     59:20  Unique         2.04, 5.08 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 769, 770, 771,
 igr2= 802, 810,
 &end
#
#   39 THR  MG2          52 PHE  HD          2.80    (#     60:20  Unique         3.06, 5.16 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 627, 628, 629,
 igr2= 802, 810,
 &end
#
#   54 ILE  QD1          52 PHE  HD          2.80    (#     61:20  Preassigned    4.86, 8.89 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 838, 839, 840,
 igr2= 802, 810,
 &end
#
#   37 LEU  MDY          52 PHE  HD          2.80    (#     62:20  Unique         2.00, 6.51 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 802, 810,
 &end
#
#   30 VAL  MGX          52 PHE  HD          5.50    (#     63:20  Unique         2.35, 5.20 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 802, 810,
 &end
#
#   61 ILE  HG1-         52 PHE  HE          3.50    (#     64:20  Unique         2.00, 5.50 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 936, 937,
 igr2= 804, 808,
 &end
#
#    0 AMB  20-2:65      52 PHE  HE          5.50    (#     65:20  Single Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 769, 770, 771, 475, 339, 340, 829,
 igr2= 804, 808,
 &end
#
#    0 AMB  20-2:66      52 PHE  HE          2.80    (#     66:20  Single Ambig)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 936, 937, 939, 940, 941,
 igr2= 804, 808,
 &end
#
#   54 ILE  QD1          52 PHE  HE          3.50    (#     67:20  Preassigned    3.61, 8.30 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 838, 839, 840,
 igr2= 804, 808,
 &end
#
#   77 LEU  MDX          52 PHE  HE          5.50    (#     68:20  Unique         3.07, 6.45 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 804, 808,
 &end
#
#   37 LEU  MDY          52 PHE  HE          5.50    (#     69:20  Unique         2.00, 7.44 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 804, 808,
 &end
#
#   77 LEU  MDX          52 PHE  HZ          3.50    (#     70:20  Unique         2.02, 5.32 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:71      52 PHE  HZ          5.50    (#     71:20  Single Ambig)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1188, 936, 937, 939, 940, 941,
 &end
#
#   51 HIS  HN           51 HIS  HD2         3.50    (#     78:20  Unique         4.73, 5.22 A)
 &rst
  ixpk= 78, nxpk= 20, iat= 777, 790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:79      51 HIS  HD2         5.50    (#     79:20  Single Ambig)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 645, 905, 652,
 &end
#
#   51 HIS  HA           51 HIS  HD2         5.50    (#     80:20  Unique         2.38, 3.51 A)
 &rst
  ixpk= 80, nxpk= 20, iat= 779, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:82      51 HIS  HD2         4.50    (#     82:20  Single Ambig)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 781, 782, 781, 782,
 &end
#
#   49 GLU  HB-          51 HIS  HD2         4.50    (#     83:20  Preassigned    5.68, 7.69 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 752, 753,
 &end
#
#    0 AMB  20-2:84      51 HIS  HD2         2.80    (#     84:20  Single Ambig)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 656, 657, 755, 756,
 &end
#
#   43 PHE  HB+          43 PHE  HD          3.50    (#     85:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 671, 672,
 igr2= 675, 683,
 &end
#
#   43 PHE  HB-          43 PHE  HD          3.50    (#     86:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 671, 672,
 igr2= 675, 683,
 &end
#
#   48 THR  MG2          43 PHE  HD          5.50    (#     87:20  Unique         2.26, 6.19 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 740, 741, 742,
 igr2= 675, 683,
 &end
#
#   19 PHE  HA           19 PHE  HE          5.50    (#     89:20  Unique         4.39, 5.30 A)
 &rst
  ixpk= 89, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 295, 299,
 &end
#
#   14 MET  HB-          19 PHE  HE          5.50    (#     90:20  Unique         2.01, 5.47 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 224, 225,
 igr2= 295, 299,
 &end
#
#   81 ASN  HN           60 TYR  HE          5.50    (#     91:20  Unique         2.71, 7.51 A)
 &rst
  ixpk= 91, nxpk= 20, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 915, 920,
 &end
#
#   62 LYS  HB+          60 TYR  HE          2.80    (#     92:20  Preassigned    2.05, 7.95 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 949, 950,
 igr2= 915, 920,
 &end
#
#   62 LYS  HD-          60 TYR  HE          3.50    (#     93:20  Unique         3.17, 8.91 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 955, 956,
 igr2= 915, 920,
 &end
#
#   62 LYS  HB-          60 TYR  HE          2.80    (#     94:20  Unique         2.05, 7.95 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 949, 950,
 igr2= 915, 920,
 &end
#
#   62 LYS  HG-          60 TYR  HE          3.50    (#     95:20  Preassigned    4.31, 9.50 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 952, 953,
 igr2= 915, 920,
 &end
#
#   78 ILE  QD1          60 TYR  HE          3.50    (#     96:20  Unique         4.66, 9.09 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1213,1214,1215,
 igr2= 915, 920,
 &end
#
#   78 ILE  HG1-         60 TYR  HE          4.50    (#     97:20  Unique         2.75, 7.31 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1210,1211,
 igr2= 915, 920,
 &end
#
#   78 ILE  HG1+         60 TYR  HE          4.50    (#     98:20  Preassigned    2.75, 7.31 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1210,1211,
 igr2= 915, 920,
 &end
#
#    0 AMB  20-2:99      60 TYR  HE          2.80    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1206,1207,1208,1204,
 igr2= 915, 920,
 &end
#
#   14 MET  HB+          57 HIS  HE1         5.50    (#    100:20  Preassigned    3.74, 7.15 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 224, 225,
 &end
#
#   14 MET  HG+          57 HIS  HE1         5.50    (#    101:20  Unique         2.57, 6.55 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   14 MET  ME           57 HIS  HE1         5.50    (#    102:20  Unique         3.32, 6.16 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 231, 232, 233,
 &end
#
#   14 MET  HB-          57 HIS  HE1         5.50    (#    103:20  Preassigned    3.74, 7.15 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 224, 225,
 &end
#
#   49 GLU  HG+          51 HIS  HE1         5.50    (#    106:20  Preassigned    6.54,11.33 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 755, 756,
 &end
#
#   49 GLU  HB-          51 HIS  HE1         3.50    (#    107:20  Preassigned    5.26, 9.25 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 752, 753,
 &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,16,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=20,25,23,24, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=18,28,21,22, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=34,40,38,39, &end
#
#  chirality for residue 3 atoms:  CG NE HD2 HD3
 &rst iat=37,43,41,42, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,52,33,34, &end
#
#  chirality for residue 4 atoms:  CA OG HB2 HB3
 &rst iat=56,61,59,60, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=54,63,57,58, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=67,72,70,71, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=69,75,73,74, &end
#
#  chirality for residue 5 atoms:  CD NZ HE2 HE3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 5 atoms:  CG CE HD2 HD3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=65,85,68,69, &end
#
#  chirality for residue 6 atoms:  CA CG2 OG1 HB
 &rst iat=89,93,97,92, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=87,99,90,91, &end
#
#  chirality for residue 7 atoms:  CA CG2 OG1 HB
 &rst iat=103,107,111,106, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=101,113,104,105, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=117,122,120,121, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=115,127,118,119, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=131,135,139,134, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=129,141,132,133, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=145,150,148,149, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=143,165,146,147, &end
#
#  chirality for residue 11 atoms:  CA CG1 CG2 HB
 &rst iat=169,173,177,172, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=167,181,170,171, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=185,190,188,189, &end
#
#  chirality for residue 12 atoms:  CB CD1 CD2 HG
 &rst iat=187,192,196,191, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=183,200,186,187, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=204,209,207,208, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=202,217,205,206, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=221,226,224,225, &end
#
#  chirality for residue 14 atoms:  CB SD HG2 HG3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=219,234,222,223, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=238,243,241,242, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=236,246,239,240, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=248,253,251,252, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=257,262,260,261, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=259,265,263,264, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=255,268,258,259, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=272,277,275,276, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=270,282,273,274, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=286,291,289,290, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=284,302,287,288, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=306,311,309,310, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=308,314,312,313, &end
#
#  chirality for residue 20 atoms:  CG NE HD2 HD3
 &rst iat=311,317,315,316, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=304,326,307,308, &end
#
#  chirality for residue 21 atoms:  CA CG2 CG1 HB
 &rst iat=330,334,338,333, &end
#
#  chirality for residue 21 atoms:  CB CD1 HG12 HG13
 &rst iat=332,341,339,340, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=328,345,331,332, &end
#
#  chirality for residue 22 atoms:  CA CG1 CG2 HB
 &rst iat=349,353,357,352, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=347,361,350,351, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=365,370,368,369, &end
#
#  chirality for residue 23 atoms:  CB CD1 CD2 HG
 &rst iat=367,372,376,371, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=363,380,366,367, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=386,392,390,391, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=382,395,385,386, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=399,404,402,403, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=401,407,405,406, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=407,413,411,412, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=404,410,408,409, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=397,417,400,401, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=421,426,424,425, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=419,429,422,423, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=431,439,434,435, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=443,448,446,447, &end
#
#  chirality for residue 28 atoms:  CB SD HG2 HG3
 &rst iat=445,451,449,450, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=441,456,444,445, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=460,465,463,464, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=458,468,461,462, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=472,476,480,475, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=470,484,473,474, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=486,508,489,490, &end
#
#  chirality for residue 32 atoms:  CA SG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=510,519,513,514, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=521,533,524,525, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=535,540,538,539, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=544,549,547,548, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=546,552,550,551, &end
#
#  chirality for residue 35 atoms:  CD NZ HE2 HE3
 &rst iat=552,558,556,557, &end
#
#  chirality for residue 35 atoms:  CG CE HD2 HD3
 &rst iat=549,555,553,554, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=542,562,545,546, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=566,571,569,570, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=574,580,578,579, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=571,577,575,576, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=564,584,567,568, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=588,593,591,592, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=590,595,599,594, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=586,603,589,590, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=607,612,610,611, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=609,615,613,614, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=605,618,608,609, &end
#
#  chirality for residue 39 atoms:  CA CG2 OG1 HB
 &rst iat=622,626,630,625, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=620,632,623,624, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=634,642,637,638, &end
#
#  chirality for residue 41 atoms:  N C HA2 HA3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=653,658,656,657, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=655,661,659,660, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=651,664,654,655, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=668,673,671,672, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=666,684,669,670, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=688,692,696,691, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=686,700,689,690, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=704,709,707,708, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=702,712,705,706, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=716,721,719,720, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=714,724,717,718, &end
#
#  chirality for residue 47 atoms:  N C HA2 HA3
 &rst iat=726,731,729,730, &end
#
#  chirality for residue 48 atoms:  CA CG2 OG1 HB
 &rst iat=735,739,743,738, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=733,745,736,737, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=749,754,752,753, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=751,757,755,756, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=747,760,750,751, &end
#
#  chirality for residue 50 atoms:  CA CG2 OG1 HB
 &rst iat=764,768,772,767, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=762,774,765,766, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=778,783,781,782, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=776,791,779,780, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=795,800,798,799, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=793,811,796,797, &end
#
#  chirality for residue 53 atoms:  CA OG HB2 HB3
 &rst iat=815,820,818,819, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=813,822,816,817, &end
#
#  chirality for residue 54 atoms:  CA CG2 CG1 HB
 &rst iat=826,830,834,829, &end
#
#  chirality for residue 54 atoms:  CB CD1 HG12 HG13
 &rst iat=828,837,835,836, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=824,841,827,828, &end
#
#  chirality for residue 55 atoms:  N C HA2 HA3
 &rst iat=843,848,846,847, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=852,857,855,856, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=850,862,853,854, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=866,871,869,870, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=864,879,867,868, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=883,888,886,887, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=881,891,884,885, &end
#
#  chirality for residue 59 atoms:  CA SG HB2 HB3
 &rst iat=895,900,898,899, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=893,902,896,897, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=906,911,909,910, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=904,923,907,908, &end
#
#  chirality for residue 61 atoms:  CA CG2 CG1 HB
 &rst iat=927,931,935,930, &end
#
#  chirality for residue 61 atoms:  CB CD1 HG12 HG13
 &rst iat=929,938,936,937, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=925,942,928,929, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=946,951,949,950, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=948,954,952,953, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=954,960,958,959, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=951,957,955,956, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=944,964,947,948, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=966,974,969,970, &end
#
#  chirality for residue 64 atoms:  CA CG1 CG2 HB
 &rst iat=978,982,986,981, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=976,990,979,980, &end
#
#  chirality for residue 65 atoms:  CA OG HB2 HB3
 &rst iat=994,999,997,998, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=992,1001,995,996, &end
#
#  chirality for residue 66 atoms:  CA OG HB2 HB3
 &rst iat=1005,1010,1008,1009, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1003,1012,1006,1007, &end
#
#  chirality for residue 67 atoms:  N C HA2 HA3
 &rst iat=1014,1019,1017,1018, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1023,1028,1026,1027, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1025,1031,1029,1030, &end
#
#  chirality for residue 68 atoms:  CD NZ HE2 HE3
 &rst iat=1031,1037,1035,1036, &end
#
#  chirality for residue 68 atoms:  CG CE HD2 HD3
 &rst iat=1028,1034,1032,1033, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1021,1041,1024,1025, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1045,1050,1048,1049, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1047,1053,1051,1052, &end
#
#  chirality for residue 69 atoms:  CG NE HD2 HD3
 &rst iat=1050,1056,1054,1055, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1043,1065,1046,1047, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1069,1074,1072,1073, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1071,1077,1075,1076, &end
#
#  chirality for residue 70 atoms:  CD NZ HE2 HE3
 &rst iat=1077,1083,1081,1082, &end
#
#  chirality for residue 70 atoms:  CG CE HD2 HD3
 &rst iat=1074,1080,1078,1079, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1067,1087,1070,1071, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1091,1096,1094,1095, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1093,1099,1097,1098, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1089,1102,1092,1093, &end
#
#  chirality for residue 72 atoms:  N C HA2 HA3
 &rst iat=1104,1109,1107,1108, &end
#
#  chirality for residue 73 atoms:  CA CG2 CG1 HB
 &rst iat=1113,1117,1121,1116, &end
#
#  chirality for residue 73 atoms:  CB CD1 HG12 HG13
 &rst iat=1115,1124,1122,1123, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1111,1128,1114,1115, &end
#
#  chirality for residue 74 atoms:  CA CG2 CG1 HB
 &rst iat=1132,1136,1140,1135, &end
#
#  chirality for residue 74 atoms:  CB CD1 HG12 HG13
 &rst iat=1134,1143,1141,1142, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1130,1147,1133,1134, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1151,1156,1154,1155, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1149,1164,1152,1153, &end
#
#  chirality for residue 76 atoms:  CA CG2 OG1 HB
 &rst iat=1168,1172,1176,1171, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1166,1178,1169,1170, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1182,1187,1185,1186, &end
#
#  chirality for residue 77 atoms:  CB CD1 CD2 HG
 &rst iat=1184,1189,1193,1188, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1180,1197,1183,1184, &end
#
#  chirality for residue 78 atoms:  CA CG2 CG1 HB
 &rst iat=1201,1205,1209,1204, &end
#
#  chirality for residue 78 atoms:  CB CD1 HG12 HG13
 &rst iat=1203,1212,1210,1211, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1199,1216,1202,1203, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1220,1224,1228,1223, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1218,1232,1221,1222, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1236,1241,1239,1240, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1234,1244,1237,1238, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1248,1253,1251,1252, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1246,1258,1249,1250, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1262,1267,1265,1266, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1264,1270,1268,1269, &end
#
#  chirality for residue 82 atoms:  CG NE HD2 HD3
 &rst iat=1267,1273,1271,1272, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1260,1282,1263,1264, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1286,1291,1289,1290, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1288,1294,1292,1293, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1284,1297,1287,1288, &end
#
#  chirality for residue 84 atoms:  CA CG2 CG1 HB
 &rst iat=1301,1305,1309,1304, &end
#
#  chirality for residue 84 atoms:  CB CD1 HG12 HG13
 &rst iat=1303,1312,1310,1311, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1299,1316,1302,1303, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1328,1322,1326,1327, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1325,1319,1323,1324, &end
#
#  chirality for residue 85 atoms:  CG N HD2 HD3
 &rst iat=1322,1318,1320,1321, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1318,1330,1329,1325, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1334,1339,1337,1338, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1336,1342,1340,1341, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1332,1345,1335,1336, &end
#
#  chirality for residue 87 atoms:  CA CG2 CG1 HB
 &rst iat=1349,1353,1357,1352, &end
#
#  chirality for residue 87 atoms:  CB CD1 HG12 HG13
 &rst iat=1351,1360,1358,1359, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1347,1364,1350,1351, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1366,1374,1369,1370, &end
#
#  chirality for residue 89 atoms:  CA OG HB2 HB3
 &rst iat=1378,1383,1381,1382, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1376,1385,1379,1380, &end
#
#  trans-omega constraint for residue 2
 &rst iat=20,18,16,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,20, &end
#
#  trans-omega constraint for residue 4
 &rst iat=56,54,52,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=67,65,63,56, &end
#
#  trans-omega constraint for residue 6
 &rst iat=89,87,85,67, &end
#
#  trans-omega constraint for residue 7
 &rst iat=103,101,99,89, &end
#
#  trans-omega constraint for residue 8
 &rst iat=117,115,113,103, &end
#
#  trans-omega constraint for residue 9
 &rst iat=131,129,127,117, &end
#
#  trans-omega constraint for residue 10
 &rst iat=145,143,141,131, &end
#
#  trans-omega constraint for residue 11
 &rst iat=169,167,165,145, &end
#
#  trans-omega constraint for residue 12
 &rst iat=185,183,181,169, &end
#
#  trans-omega constraint for residue 13
 &rst iat=204,202,200,185, &end
#
#  trans-omega constraint for residue 14
 &rst iat=221,219,217,204, &end
#
#  trans-omega constraint for residue 15
 &rst iat=238,236,234,221, &end
#
#  trans-omega constraint for residue 16
 &rst iat=250,248,246,238, &end
#
#  trans-omega constraint for residue 17
 &rst iat=257,255,253,250, &end
#
#  trans-omega constraint for residue 18
 &rst iat=272,270,268,257, &end
#
#  trans-omega constraint for residue 19
 &rst iat=286,284,282,272, &end
#
#  trans-omega constraint for residue 20
 &rst iat=306,304,302,286, &end
#
#  trans-omega constraint for residue 21
 &rst iat=330,328,326,306, &end
#
#  trans-omega constraint for residue 22
 &rst iat=349,347,345,330, &end
#
#  trans-omega constraint for residue 23
 &rst iat=365,363,361,349, &end
#
#  trans-omega constraint for residue 24
 &rst iat=384,382,380,365, &end
#
#  trans-omega constraint for residue 25
 &rst iat=399,397,395,384, &end
#
#  trans-omega constraint for residue 26
 &rst iat=421,419,417,399, &end
#
#  trans-omega constraint for residue 27
 &rst iat=433,431,429,421, &end
#
#  trans-omega constraint for residue 28
 &rst iat=443,441,439,433, &end
#
#  trans-omega constraint for residue 29
 &rst iat=460,458,456,443, &end
#
#  trans-omega constraint for residue 30
 &rst iat=472,470,468,460, &end
#
#  trans-omega constraint for residue 31
 &rst iat=488,486,484,472, &end
#
#  trans-omega constraint for residue 32
 &rst iat=512,510,508,488, &end
#
#  trans-omega constraint for residue 33
 &rst iat=523,521,519,512, &end
#
#  trans-omega constraint for residue 34
 &rst iat=537,535,533,523, &end
#
#  trans-omega constraint for residue 35
 &rst iat=544,542,540,537, &end
#
#  trans-omega constraint for residue 36
 &rst iat=566,564,562,544, &end
#
#  trans-omega constraint for residue 37
 &rst iat=588,586,584,566, &end
#
#  trans-omega constraint for residue 38
 &rst iat=607,605,603,588, &end
#
#  trans-omega constraint for residue 39
 &rst iat=622,620,618,607, &end
#
#  trans-omega constraint for residue 40
 &rst iat=636,634,632,622, &end
#
#  trans-omega constraint for residue 41
 &rst iat=646,644,642,636, &end
#
#  trans-omega constraint for residue 42
 &rst iat=653,651,649,646, &end
#
#  trans-omega constraint for residue 43
 &rst iat=668,666,664,653, &end
#
#  trans-omega constraint for residue 44
 &rst iat=688,686,684,668, &end
#
#  trans-omega constraint for residue 45
 &rst iat=704,702,700,688, &end
#
#  trans-omega constraint for residue 46
 &rst iat=716,714,712,704, &end
#
#  trans-omega constraint for residue 47
 &rst iat=728,726,724,716, &end
#
#  trans-omega constraint for residue 48
 &rst iat=735,733,731,728, &end
#
#  trans-omega constraint for residue 49
 &rst iat=749,747,745,735, &end
#
#  trans-omega constraint for residue 50
 &rst iat=764,762,760,749, &end
#
#  trans-omega constraint for residue 51
 &rst iat=778,776,774,764, &end
#
#  trans-omega constraint for residue 52
 &rst iat=795,793,791,778, &end
#
#  trans-omega constraint for residue 53
 &rst iat=815,813,811,795, &end
#
#  trans-omega constraint for residue 54
 &rst iat=826,824,822,815, &end
#
#  trans-omega constraint for residue 55
 &rst iat=845,843,841,826, &end
#
#  trans-omega constraint for residue 56
 &rst iat=852,850,848,845, &end
#
#  trans-omega constraint for residue 57
 &rst iat=866,864,862,852, &end
#
#  trans-omega constraint for residue 58
 &rst iat=883,881,879,866, &end
#
#  trans-omega constraint for residue 59
 &rst iat=895,893,891,883, &end
#
#  trans-omega constraint for residue 60
 &rst iat=906,904,902,895, &end
#
#  trans-omega constraint for residue 61
 &rst iat=927,925,923,906, &end
#
#  trans-omega constraint for residue 62
 &rst iat=946,944,942,927, &end
#
#  trans-omega constraint for residue 63
 &rst iat=968,966,964,946, &end
#
#  trans-omega constraint for residue 64
 &rst iat=978,976,974,968, &end
#
#  trans-omega constraint for residue 65
 &rst iat=994,992,990,978, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1005,1003,1001,994, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1016,1014,1012,1005, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1023,1021,1019,1016, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1045,1043,1041,1023, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1069,1067,1065,1045, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1091,1089,1087,1069, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1106,1104,1102,1091, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1113,1111,1109,1106, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1132,1130,1128,1113, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1151,1149,1147,1132, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1168,1166,1164,1151, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1182,1180,1178,1168, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1201,1199,1197,1182, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1220,1218,1216,1201, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1236,1234,1232,1220, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1248,1246,1244,1236, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1262,1260,1258,1248, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1286,1284,1282,1262, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1301,1299,1297,1286, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1328,1318,1316,1301, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1334,1332,1330,1328, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1349,1347,1345,1334, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1368,1366,1364,1349, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1378,1376,1374,1368, &end
#
#   89 SER  HN           89 SER  HA          3.50    (#      0:20  Unique         2.76, 2.89 A)
 &rst
  ixpk= 0, nxpk= 20, iat=1377,1379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#    0 AMB  20-2:1       89 SER  HA          2.80    (#      1:20  Single Ambig)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,1379, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1381,1382,1381,1382,
 &end
#
#   88 ALA  MB           89 SER  HA          4.50    (#      3:20  Preassigned    4.39, 5.31 A)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1,1379, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1371,1372,1373,
 &end
#
#   89 SER  HA            0 AMB  20-1:4      2.80    (#      4:20  Single Ambig)
 &rst
  ixpk= 4, nxpk= 20, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1381,1382,1381,1382,
 &end
#
#   88 ALA  HN           88 ALA  HA          4.50    (#      7:20  Unique         2.28, 2.84 A)
 &rst
  ixpk= 7, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 SER  HN           88 ALA  HA          2.80    (#      8:20  Unique         2.15, 2.35 A)
 &rst
  ixpk= 8, nxpk= 20, iat=1377,1369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ALA  MB           88 ALA  HA          2.80    (#      9:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1371,1372,1373,
 &end
#
#   87 ILE  QD1          88 ALA  HA          5.50    (#     10:20  Preassigned    6.31, 7.43 A)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1361,1362,1363,
 &end
#
#   88 ALA  HN           88 ALA  MB          2.80    (#     11:20  Unique         2.29, 3.26 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1371,1372,1373,
 &end
#
#   89 SER  HN           88 ALA  MB          3.50    (#     12:20  Unique         3.56, 4.34 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1371,1372,1373,
 &end
#
#   88 ALA  HA           88 ALA  MB          2.80    (#     13:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1371,1372,1373,
 &end
#
#   88 ALA  HN           87 ILE  HA          3.50    (#     14:20  Unique         2.20, 2.22 A)
 &rst
  ixpk= 14, nxpk= 20, iat=1367,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 ILE  HN           87 ILE  HA          3.50    (#     15:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 15, nxpk= 20, iat=1348,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 ILE  HB           87 ILE  HA          3.50    (#     16:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 16, nxpk= 20, iat=1352,1350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 ILE  HG1-         87 ILE  HA          3.50    (#     17:20  Unique         2.45, 2.90 A)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1358,1359,
 &end
#
#   87 ILE  HG1+         87 ILE  HA          4.50    (#     18:20  Unique         2.45, 2.90 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1358,1359,
 &end
#
#   87 ILE  QG2          87 ILE  HA          3.50    (#     19:20  Preassigned    2.32, 3.09 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1354,1355,1356,
 &end
#
#   87 ILE  QD1          87 ILE  HA          4.50    (#     20:20  Preassigned    2.01, 4.37 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1361,1362,1363,
 &end
#
#   88 ALA  HN           87 ILE  HB          5.50    (#     21:20  Unique         3.87, 3.93 A)
 &rst
  ixpk= 21, nxpk= 20, iat=1367,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 ILE  HN           87 ILE  HB          3.50    (#     22:20  Unique         2.55, 2.61 A)
 &rst
  ixpk= 22, nxpk= 20, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 ILE  HA           87 ILE  HB          3.50    (#     23:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 ILE  HG1-         87 ILE  HB          2.80    (#     24:20  Unique         2.43, 2.73 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1358,1359,
 &end
#
#   87 ILE  HG1+         87 ILE  HB          3.50    (#     25:20  Unique         2.43, 2.73 A)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1358,1359,
 &end
#
#   87 ILE  QG2          87 ILE  HB          2.80    (#     26:20  Unique         2.26, 2.63 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1354,1355,1356,
 &end
#
#   87 ILE  QD1          87 ILE  HB          3.50    (#     27:20  Unique         2.07, 3.19 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1361,1362,1363,
 &end
#
#   87 ILE  HN           87 ILE  HG1-        3.50    (#     28:20  Unique         1.95, 2.71 A)
 &rst
  ixpk= 28, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1358,1359,
 &end
#
#   87 ILE  HN           87 ILE  HG1+        2.80    (#     29:20  Unique         1.95, 2.71 A)
 &rst
  ixpk= 29, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1358,1359,
 &end
#
#    8 ASN  HA           87 ILE  HG1-        5.50    (#     30:20  Unique         6.69, 8.01 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1358,1359,
 &end
#
#   87 ILE  HA           87 ILE  HG1-        3.50    (#     31:20  Unique         2.45, 2.90 A)
 &rst
  ixpk= 31, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1358,1359,
 &end
#
#   87 ILE  HA           87 ILE  HG1+        4.50    (#     32:20  Unique         2.45, 2.90 A)
 &rst
  ixpk= 32, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1358,1359,
 &end
#
#    9 THR  HB           87 ILE  HG1-        5.50    (#     33:20  Unique         2.68, 4.40 A)
 &rst
  ixpk= 33, nxpk= 20, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1358,1359,
 &end
#
#    9 THR  HB           87 ILE  HG1+        5.50    (#     34:20  Unique         2.68, 4.40 A)
 &rst
  ixpk= 34, nxpk= 20, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1358,1359,
 &end
#
#   87 ILE  HB           87 ILE  HG1-        2.80    (#     35:20  Unique         2.43, 2.73 A)
 &rst
  ixpk= 35, nxpk= 20, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1358,1359,
 &end
#
#   87 ILE  HB           87 ILE  HG1+        2.80    (#     36:20  Unique         2.43, 2.73 A)
 &rst
  ixpk= 36, nxpk= 20, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1358,1359,
 &end
#
#   87 ILE  HA           87 ILE  QD1         4.50    (#     39:20  Unique         2.01, 4.37 A)
 &rst
  ixpk= 39, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1361,1362,1363,
 &end
#
#    9 THR  HB           87 ILE  QD1         4.50    (#     40:20  Unique         2.00, 3.98 A)
 &rst
  ixpk= 40, nxpk= 20, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1361,1362,1363,
 &end
#
#   87 ILE  HB           87 ILE  QD1         3.50    (#     41:20  Unique         2.07, 3.19 A)
 &rst
  ixpk= 41, nxpk= 20, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1361,1362,1363,
 &end
#
#   87 ILE  HG1-         87 ILE  QD1         2.80    (#     42:20  Preassigned    2.21, 2.62 A)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1358,1359,
 igr2=1361,1362,1363,
 &end
#
#   87 ILE  HB           87 ILE  QG2         2.80    (#     43:20  Unique         2.26, 2.63 A)
 &rst
  ixpk= 43, nxpk= 20, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1354,1355,1356,
 &end
#
#    9 THR  HB           87 ILE  QG2         5.50    (#     44:20  Unique         5.55, 6.61 A)
 &rst
  ixpk= 44, nxpk= 20, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1354,1355,1356,
 &end
#
#   87 ILE  HA           87 ILE  QG2         3.50    (#     45:20  Unique         2.32, 3.09 A)
 &rst
  ixpk= 45, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1354,1355,1356,
 &end
#
#   87 ILE  HN           87 ILE  QG2         4.50    (#     46:20  Unique         4.38, 4.53 A)
 &rst
  ixpk= 46, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1354,1355,1356,
 &end
#
#   88 ALA  HN           87 ILE  QG2         3.50    (#     47:20  Unique         2.06, 3.01 A)
 &rst
  ixpk= 47, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1354,1355,1356,
 &end
#
#   11 VAL  HN           87 ILE  QG2         4.50    (#     48:20  Unique         4.76, 6.02 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1354,1355,1356,
 &end
#
#   10 TRP  HE1          86 GLU  HA          4.50    (#     49:20  Unique         2.52, 6.21 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 154,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLU  HN           86 GLU  HA          2.80    (#     50:20  Preassigned    2.76, 2.77 A)
 &rst
  ixpk= 50, nxpk= 20, iat=1333,1335, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   87 ILE  HN           86 GLU  HA          2.80    (#     51:20  Unique         2.29, 2.43 A)
 &rst
  ixpk= 51, nxpk= 20, iat=1348,1335, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 THR  HN           86 GLU  HA          4.50    (#     52:20  Unique         4.09, 4.80 A)
 &rst
  ixpk= 52, nxpk= 20, iat= 130,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 TRP  HZ2          86 GLU  HA          5.50    (#     53:20  Unique         4.82, 7.15 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 157,1335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 TRP  HD1          86 GLU  HA          2.80    (#     54:20  Unique         2.04, 5.13 A)
 &rst
  ixpk= 54, nxpk= 20, iat= 152,1335, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 TRP  HA           86 GLU  HA          3.50    (#     55:20  Unique         3.04, 3.64 A)
 &rst
  ixpk= 55, nxpk= 20, iat= 146,1335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:56      86 GLU  HA          4.50    (#     56:20  Single Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 148, 149, 148, 149,
 &end
#
#   86 GLU  HG+          86 GLU  HA          3.50    (#     58:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1340,1341,
 &end
#
#    0 AMB  20-2:59       0 AMB  20-1:59     2.80    (#     59:20  Double Ambig)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=   8,   9,1337,1338,
 igr2=   6,1335,
 &end
#
#    0 AMB  20-2:60       0 AMB  20-1:60     3.50    (#     60:20  Double Ambig)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1340,1341,   8,   9,1337,1338,
 igr2=1335,   6,
 &end
#
#    0 AMB  20-2:61       1 GLU  HA          2.80    (#     61:20  Single Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  11,  12,  11,  12,
 &end
#
#   10 TRP  HE1          86 GLU  HB+         4.50    (#     63:20  Unique         3.52, 8.49 A)
 &rst
  ixpk= 63, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1337,1338,
 &end
#
#   10 TRP  HE1          86 GLU  HB-         4.50    (#     64:20  Unique         3.52, 8.49 A)
 &rst
  ixpk= 64, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1337,1338,
 &end
#
#   86 GLU  HN           86 GLU  HB+         2.80    (#     65:20  Unique         2.14, 2.56 A)
 &rst
  ixpk= 65, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1337,1338,
 &end
#
#   86 GLU  HN           86 GLU  HB-         2.80    (#     66:20  Unique         2.14, 2.56 A)
 &rst
  ixpk= 66, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1337,1338,
 &end
#
#   87 ILE  HN           86 GLU  HB+         2.80    (#     67:20  Unique         2.94, 3.57 A)
 &rst
  ixpk= 67, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1337,1338,
 &end
#
#   87 ILE  HN           86 GLU  HB-         2.80    (#     68:20  Unique         2.94, 3.57 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1337,1338,
 &end
#
#   86 GLU  HA           86 GLU  HB+         2.80    (#     71:20  Unique         2.48, 2.81 A)
 &rst
  ixpk= 71, nxpk= 20, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1337,1338,
 &end
#
#   86 GLU  HA           86 GLU  HB-         2.80    (#     72:20  Unique         2.48, 2.81 A)
 &rst
  ixpk= 72, nxpk= 20, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1337,1338,
 &end
#
#    0 AMB  20-2:73       0 AMB  20-1:73     4.50    (#     73:20  Double Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1333, 168,
 igr2=1340,1341,1340,1341,
 &end
#
#   86 GLU  HN           86 GLU  HG-         4.50    (#     74:20  Preassigned    4.00, 4.35 A)
 &rst
  ixpk= 74, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1340,1341,
 &end
#
#   87 ILE  HN           86 GLU  HG+         3.50    (#     75:20  Unique         1.95, 2.41 A)
 &rst
  ixpk= 75, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1340,1341,
 &end
#
#   87 ILE  HN           86 GLU  HG-         3.50    (#     76:20  Unique         1.95, 2.41 A)
 &rst
  ixpk= 76, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1340,1341,
 &end
#
#   86 GLU  HA           86 GLU  HG+         3.50    (#     77:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 77, nxpk= 20, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1340,1341,
 &end
#
#   86 GLU  HA           86 GLU  HG-         3.50    (#     78:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 78, nxpk= 20, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1340,1341,
 &end
#
#   86 GLU  HN           85 PRO  HB+         3.50    (#     81:20  Unique         2.17, 3.18 A)
 &rst
  ixpk= 81, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1326,1327,
 &end
#
#   86 GLU  HN           85 PRO  HB-         3.50    (#     82:20  Unique         2.17, 3.18 A)
 &rst
  ixpk= 82, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1326,1327,
 &end
#
#   85 PRO  HD-          85 PRO  HB+         3.50    (#     85:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1320,1321,
 igr2=1326,1327,
 &end
#
#   85 PRO  HD+          85 PRO  HB+         2.80    (#     86:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1320,1321,
 igr2=1326,1327,
 &end
#
#   85 PRO  HD-          85 PRO  HB-         3.50    (#     87:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1320,1321,
 igr2=1326,1327,
 &end
#
#   85 PRO  HD+          85 PRO  HB-         3.50    (#     88:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1320,1321,
 igr2=1326,1327,
 &end
#
#   85 PRO  HG+          85 PRO  HB-         2.80    (#     90:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1323,1324,
 igr2=1326,1327,
 &end
#
#   85 PRO  HD-          85 PRO  HG+         2.80    (#     93:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1320,1321,
 igr2=1323,1324,
 &end
#
#   85 PRO  HD+          85 PRO  HG+         2.80    (#     94:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1320,1321,
 igr2=1323,1324,
 &end
#
#   85 PRO  HD-          85 PRO  HG-         2.80    (#     95:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1320,1321,
 igr2=1323,1324,
 &end
#
#   85 PRO  HD+          85 PRO  HG-         2.80    (#     96:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1320,1321,
 igr2=1323,1324,
 &end
#
#   85 PRO  HB+          85 PRO  HG+         2.80    (#     97:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1326,1327,
 igr2=1323,1324,
 &end
#
#   85 PRO  HB+          85 PRO  HG-         2.80    (#     98:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1326,1327,
 igr2=1323,1324,
 &end
#
#   84 ILE  QG2          85 PRO  HG+         5.50    (#     99:20  Unique         4.90, 6.45 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1306,1307,1308,
 igr2=1323,1324,
 &end
#
#   84 ILE  HA           85 PRO  HD+         2.80    (#    100:20  Unique         2.01, 2.42 A)
 &rst
  ixpk= 100, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1320,1321,
 &end
#
#   85 PRO  HB+          85 PRO  HD+         3.50    (#    101:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1326,1327,
 igr2=1320,1321,
 &end
#
#   84 ILE  HA           85 PRO  HD-         2.80    (#    102:20  Unique         2.01, 2.42 A)
 &rst
  ixpk= 102, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1320,1321,
 &end
#
#   85 PRO  HB+          85 PRO  HD-         3.50    (#    103:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1326,1327,
 igr2=1320,1321,
 &end
#
#   85 PRO  HG+          85 PRO  HD+         2.80    (#    104:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1323,1324,
 igr2=1320,1321,
 &end
#
#   85 PRO  HG+          85 PRO  HD-         2.80    (#    105:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1323,1324,
 igr2=1320,1321,
 &end
#
#   85 PRO  HG-          85 PRO  HD+         2.80    (#    107:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1323,1324,
 igr2=1320,1321,
 &end
#
#   85 PRO  HG-          85 PRO  HD-         2.80    (#    108:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1323,1324,
 igr2=1320,1321,
 &end
#
#    0 AMB  20-2:109     85 PRO  HD-         5.50    (#    109:20  Single Ambig)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1268,1269,1310,1311, 193, 194, 195, 197, 198, 199,
      
 igr2=1320,1321,
 &end
#
#   84 ILE  QG2          85 PRO  HD+         2.80    (#    110:20  Unique         3.50, 5.02 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1306,1307,1308,
 igr2=1320,1321,
 &end
#
#   84 ILE  QG2          85 PRO  HD-         3.50    (#    111:20  Unique         3.50, 5.02 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1306,1307,1308,
 igr2=1320,1321,
 &end
#
#   84 ILE  QD1          85 PRO  HD+         3.50    (#    112:20  Unique         3.50, 4.90 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1313,1314,1315,
 igr2=1320,1321,
 &end
#
#   84 ILE  QD1          85 PRO  HD-         3.50    (#    113:20  Unique         3.50, 4.90 A)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1313,1314,1315,
 igr2=1320,1321,
 &end
#
#   14 MET  HN           14 MET  HA          2.80    (#    114:20  Unique         2.81, 2.92 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   84 ILE  QD1          84 ILE  HA          2.80    (#    115:20  Unique         2.00, 2.87 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1313,1314,1315,
 &end
#
#   84 ILE  HN           84 ILE  HB          2.80    (#    116:20  Unique         2.65, 2.74 A)
 &rst
  ixpk= 116, nxpk= 20, iat=1300,1304, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 TRP  HD1          84 ILE  HB          4.50    (#    117:20  Unique         4.97, 5.68 A)
 &rst
  ixpk= 117, nxpk= 20, iat= 152,1304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 GLU  HA           84 ILE  HB          5.50    (#    118:20  Unique         4.55, 4.62 A)
 &rst
  ixpk= 118, nxpk= 20, iat=1287,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 ILE  HG1-         84 ILE  HB          2.80    (#    119:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1310,1311,
 &end
#
#   84 ILE  QG2          84 ILE  HB          2.80    (#    120:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1306,1307,1308,
 &end
#
#   84 ILE  HG1+         84 ILE  HB          2.80    (#    121:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1310,1311,
 &end
#
#   77 LEU  HG           84 ILE  HB          3.50    (#    122:20  Unique         2.77, 3.85 A)
 &rst
  ixpk= 122, nxpk= 20, iat=1188,1304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:123     84 ILE  HB          2.80    (#    123:20  Single Ambig)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1185,1186,1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:124     84 ILE  HB          3.50    (#    124:20  Single Ambig)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
 &end
#
#   77 LEU  MDY          84 ILE  HB          2.80    (#    125:20  Unique         2.55, 4.35 A)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HB-          84 ILE  HB          5.50    (#    126:20  Unique         1.99, 3.00 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1185,1186,
 &end
#
#   84 ILE  HN           84 ILE  HG1-        2.80    (#    127:20  Unique         2.77, 3.57 A)
 &rst
  ixpk= 127, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1310,1311,
 &end
#
#   84 ILE  HN           84 ILE  HG1+        3.50    (#    128:20  Unique         2.77, 3.57 A)
 &rst
  ixpk= 128, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1310,1311,
 &end
#
#   79 VAL  HN           84 ILE  HG1-        3.50    (#    129:20  Unique         1.94, 2.42 A)
 &rst
  ixpk= 129, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1310,1311,
 &end
#
#   77 LEU  MDY          84 ILE  HG1-        3.50    (#    130:20  Unique         2.49, 5.36 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1310,1311,
 &end
#
#   77 LEU  MDY          84 ILE  HG1+        2.80    (#    131:20  Unique         2.49, 5.36 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1310,1311,
 &end
#
#   77 LEU  MDX          84 ILE  HG1-        5.50    (#    132:20  Unique         2.49, 5.36 A)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1310,1311,
 &end
#
#   84 ILE  HB           84 ILE  HG1-        2.80    (#    133:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 133, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1310,1311,
 &end
#
#   84 ILE  HB           84 ILE  HG1+        2.80    (#    134:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 134, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1310,1311,
 &end
#
#   84 ILE  QD1          84 ILE  HG1-        2.80    (#    135:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1313,1314,1315,
 igr2=1310,1311,
 &end
#
#    0 AMB  20-2:136      0 AMB  20-1:136    2.80    (#    136:20  Double Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
 igr2=1310,1311,1310,1311,
 &end
#
#    0 AMB  20-2:137     84 ILE  HG1-        2.80    (#    137:20  Single Ambig)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 igr2=1310,1311,
 &end
#
#    0 AMB  20-2:138      0 AMB  20-1:138    2.80    (#    138:20  Double Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 igr2=1310,1311,1310,1311,
 &end
#
#   84 ILE  HN           84 ILE  QD1         3.50    (#    139:20  Preassigned    3.83, 4.56 A)
 &rst
  ixpk= 139, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1313,1314,1315,
 &end
#
#   79 VAL  HN           84 ILE  QD1         3.50    (#    140:20  Unique         2.83, 4.14 A)
 &rst
  ixpk= 140, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1313,1314,1315,
 &end
#
#   84 ILE  HA           84 ILE  QD1         2.80    (#    141:20  Unique         2.00, 2.87 A)
 &rst
  ixpk= 141, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1313,1314,1315,
 &end
#
#   85 PRO  HD+          84 ILE  QD1         3.50    (#    142:20  Unique         3.50, 4.90 A)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1320,1321,
 igr2=1313,1314,1315,
 &end
#
#   85 PRO  HD-          84 ILE  QD1         3.50    (#    143:20  Unique         3.50, 4.90 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1320,1321,
 igr2=1313,1314,1315,
 &end
#
#    0 AMB  20-2:144     84 ILE  QD1         5.50    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1271,1272,1271,1272,
 igr2=1313,1314,1315,
 &end
#
#   84 ILE  HB           84 ILE  QD1         3.50    (#    145:20  Unique         3.57, 3.92 A)
 &rst
  ixpk= 145, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1313,1314,1315,
 &end
#
#    0 AMB  20-2:146     84 ILE  QD1         3.50    (#    146:20  Single Ambig)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1265,1266,1265,1266,
 igr2=1313,1314,1315,
 &end
#
#    0 AMB  20-2:147     84 ILE  QD1         2.80    (#    147:20  Single Ambig)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1268,1269,1310,1311, 193, 194, 195, 197, 198, 199,
      
 igr2=1313,1314,1315,
 &end
#
#   84 ILE  QG2          84 ILE  QD1         2.80    (#    148:20  Unique         2.07, 3.67 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1306,1307,1308,
 igr2=1313,1314,1315,
 &end
#
#   84 ILE  HG1+         84 ILE  QD1         2.80    (#    149:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1310,1311,
 igr2=1313,1314,1315,
 &end
#
#   77 LEU  MDY          84 ILE  QD1         4.50    (#    150:20  Unique         3.96, 7.17 A)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1313,1314,1315,
 &end
#
#   84 ILE  HN           84 ILE  QG2         4.50    (#    152:20  Preassigned    4.42, 4.71 A)
 &rst
  ixpk= 152, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1306,1307,1308,
 &end
#
#   10 TRP  HD1          84 ILE  QG2         2.80    (#    154:20  Unique         3.06, 4.33 A)
 &rst
  ixpk= 154, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1306,1307,1308,
 &end
#
#   10 TRP  HA           84 ILE  QG2         4.50    (#    155:20  Unique         4.06, 5.54 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1306,1307,1308,
 &end
#
#   78 ILE  HA           84 ILE  QG2         5.50    (#    156:20  Unique         5.92, 6.28 A)
 &rst
  ixpk= 156, nxpk= 20, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1306,1307,1308,
 &end
#
#   84 ILE  HA           84 ILE  QG2         2.80    (#    157:20  Unique         2.31, 3.08 A)
 &rst
  ixpk= 157, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1306,1307,1308,
 &end
#
#   77 LEU  HA           84 ILE  QG2         5.50    (#    158:20  Preassigned    5.54, 6.66 A)
 &rst
  ixpk= 158, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1306,1307,1308,
 &end
#
#   86 GLU  HA           84 ILE  QG2         4.50    (#    159:20  Preassigned    4.97, 5.85 A)
 &rst
  ixpk= 159, nxpk= 20, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1306,1307,1308,
 &end
#
#   85 PRO  HD-          84 ILE  QG2         3.50    (#    160:20  Unique         3.50, 5.02 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1320,1321,
 igr2=1306,1307,1308,
 &end
#
#   85 PRO  HD+          84 ILE  QG2         2.80    (#    161:20  Unique         3.50, 5.02 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1320,1321,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:162     84 ILE  QG2         2.80    (#    162:20  Single Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 148, 149, 148, 149,
 igr2=1306,1307,1308,
 &end
#
#   85 PRO  HG+          84 ILE  QG2         4.50    (#    163:20  Unique         4.90, 6.45 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1323,1324,
 igr2=1306,1307,1308,
 &end
#
#   85 PRO  HG-          84 ILE  QG2         4.50    (#    164:20  Unique         4.90, 6.45 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1323,1324,
 igr2=1306,1307,1308,
 &end
#
#   84 ILE  HB           84 ILE  QG2         2.80    (#    165:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 165, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1306,1307,1308,
 &end
#
#   12 LEU  HB+          84 ILE  QG2         4.50    (#    166:20  Unique         3.74, 6.53 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 188, 189,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:167     84 ILE  QG2         2.80    (#    167:20  Single Ambig)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1310,1311, 193, 194, 195, 197, 198, 199,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:168     84 ILE  QG2         3.50    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 193, 194, 195, 197, 198, 199, 174, 175, 176, 178,
       179, 180, 191,1361,1362,1363,
 igr2=1306,1307,1308,
 &end
#
#   84 ILE  QD1          84 ILE  QG2         2.80    (#    170:20  Preassigned    2.07, 3.67 A)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1313,1314,1315,
 igr2=1306,1307,1308,
 &end
#
#   77 LEU  MDX          84 ILE  QG2         4.50    (#    172:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1306,1307,1308,
 &end
#
#   77 LEU  MDY          84 ILE  QG2         2.80    (#    173:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1306,1307,1308,
 &end
#
#   84 ILE  HN           83 GLU  HA          2.80    (#    174:20  Unique         2.15, 2.18 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1300,1287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   83 GLU  HN           83 GLU  HA          2.80    (#    175:20  Unique         2.76, 2.84 A)
 &rst
  ixpk= 175, nxpk= 20, iat=1285,1287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   83 GLU  HG+          83 GLU  HA          3.50    (#    177:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1292,1293,
 &end
#
#    0 AMB  20-2:178     83 GLU  HA          2.80    (#    178:20  Single Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1289,1290,1289,1290,
 &end
#
#   83 GLU  HG-          83 GLU  HA          2.80    (#    179:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1292,1293,
 &end
#
#   84 ILE  HG1-         83 GLU  HA          3.50    (#    180:20  Unique         3.43, 4.50 A)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1310,1311,
 &end
#
#   79 VAL  MGX          83 GLU  HA          5.50    (#    182:20  Unique         5.07, 7.95 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   78 ILE  QD1          83 GLU  HA          2.80    (#    183:20  Unique         2.18, 2.75 A)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1213,1214,1215,
 &end
#
#   84 ILE  HN            0 AMB  20-1:184    3.50    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1289,1290,1289,1290,
 &end
#
#   83 GLU  HN            0 AMB  20-1:186    2.80    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1289,1290,1289,1290,
 &end
#
#   83 GLU  HA            0 AMB  20-1:188    2.80    (#    188:20  Single Ambig)
 &rst
  ixpk= 188, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1289,1290,1289,1290,
 &end
#
#    0 AMB  20-2:190      0 AMB  20-1:190    2.80    (#    190:20  Double Ambig)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1292,1293,1292,1293,
 igr2=1289,1290,1289,1290,
 &end
#
#   78 ILE  QD1           0 AMB  20-1:192    2.80    (#    192:20  Single Ambig)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1213,1214,1215,
 igr2=1289,1290,1289,1290,
 &end
#
#   76 THR  MG2           0 AMB  20-1:194    3.50    (#    194:20  Single Ambig)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1173,1174,1175,
 igr2=1289,1290,1289,1290,
 &end
#
#   83 GLU  HN           82 ARG  HA          3.50    (#    196:20  Unique         2.23, 2.30 A)
 &rst
  ixpk= 196, nxpk= 20, iat=1285,1263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 ARG  HN           82 ARG  HA          3.50    (#    197:20  Unique         2.81, 2.88 A)
 &rst
  ixpk= 197, nxpk= 20, iat=1261,1263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:198     82 ARG  HA          3.50    (#    198:20  Single Ambig)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1271,1272,1271,1272,
 &end
#
#    0 AMB  20-2:199     82 ARG  HA          2.80    (#    199:20  Single Ambig)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1265,1266,1289,1290,
 &end
#
#   82 ARG  HB-          82 ARG  HA          2.80    (#    200:20  Unique         2.31, 2.62 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1265,1266,
 &end
#
#   82 ARG  HG+          82 ARG  HA          2.80    (#    201:20  Unique         2.42, 3.23 A)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1268,1269,
 &end
#
#   82 ARG  HG-          82 ARG  HA          3.50    (#    202:20  Unique         2.42, 3.23 A)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1268,1269,
 &end
#
#   42 GLU  HN           42 GLU  HB-         2.80    (#    203:20  Unique         2.21, 3.16 A)
 &rst
  ixpk= 203, nxpk= 20, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 656, 657,
 &end
#
#    0 AMB  20-2:204      0 AMB  20-1:204    4.50    (#    204:20  Double Ambig)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 667, 748,
 igr2= 656, 657, 656, 657,
 &end
#
#   83 GLU  HN            0 AMB  20-1:205    2.80    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1265,1266,1265,1266,
 &end
#
#   82 ARG  HN            0 AMB  20-1:207    2.80    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1265,1266,1265,1266,
 &end
#
#    0 AMB  20-2:209      0 AMB  20-1:209    2.80    (#    209:20  Double Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1263, 654,
 igr2=1265,1266,1265,1266, 656, 657,
 &end
#
#    0 AMB  20-2:210      0 AMB  20-1:210    2.80    (#    210:20  Double Ambig)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1271,1272,1271,1272,1271,1272,
 igr2=1265,1266,1265,1266,1265,1266,
 &end
#
#    0 AMB  20-2:212      0 AMB  20-1:212    2.80    (#    212:20  Double Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
 igr2=1265,1266,1265,1266,1265,1266,
 &end
#
#   83 GLU  HN           82 ARG  HG+         3.50    (#    214:20  Unique         3.11, 4.15 A)
 &rst
  ixpk= 214, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1268,1269,
 &end
#
#   83 GLU  HN           82 ARG  HG-         3.50    (#    215:20  Unique         3.11, 4.15 A)
 &rst
  ixpk= 215, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1268,1269,
 &end
#
#   82 ARG  HN           82 ARG  HG+         3.50    (#    216:20  Unique         2.80, 3.69 A)
 &rst
  ixpk= 216, nxpk= 20, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1268,1269,
 &end
#
#   82 ARG  HN           82 ARG  HG-         3.50    (#    217:20  Unique         2.80, 3.69 A)
 &rst
  ixpk= 217, nxpk= 20, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1268,1269,
 &end
#
#    0 AMB  20-2:218      0 AMB  20-1:218    2.80    (#    218:20  Double Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1263,  21,
 igr2=1268,1269,  38,  39,
 &end
#
#    0 AMB  20-2:219      0 AMB  20-1:219    2.80    (#    219:20  Double Ambig)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1263,  21,
 igr2=1268,1269,  38,  39,
 &end
#
#    3 ARG  HA            3 ARG  HG-         2.80    (#    220:20  Unique         2.30, 3.27 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  38,  39,
 &end
#
#    0 AMB  20-2:222      0 AMB  20-1:222    3.50    (#    222:20  Double Ambig)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  21,1263,
 igr2=  41,  42,1271,1272,
 &end
#
#    3 ARG  HA            3 ARG  HD+         2.80    (#    223:20  Unique         2.15, 2.99 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  41,  42,
 &end
#
#    0 AMB  20-2:225      0 AMB  20-1:225    2.80    (#    225:20  Double Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1265,1266,1265,1266,1265,1266,
 igr2=1271,1272,1271,1272,1271,1272,
 &end
#
#    0 AMB  20-2:226      0 AMB  20-1:226    2.80    (#    226:20  Double Ambig)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1268,1269,1268,1269,  38,  39,
 igr2=1271,1272,1271,1272,  41,  42,
 &end
#
#    0 AMB  20-2:227      0 AMB  20-1:227    2.80    (#    227:20  Double Ambig)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1268,1269,  38,  39,
 igr2=1271,1272,1271,1272,  41,  42,
 &end
#
#    0 AMB  20-2:228      0 AMB  20-1:228    5.50    (#    228:20  Double Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
 igr2=1271,1272,1271,1272,1271,1272,
 &end
#
#   80 ASP  HN           81 ASN  HA          5.50    (#    229:20  Unique         4.87, 4.98 A)
 &rst
  ixpk= 229, nxpk= 20, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ASN  HN           81 ASN  HA          2.80    (#    230:20  Unique         2.27, 2.27 A)
 &rst
  ixpk= 230, nxpk= 20, iat=1247,1249, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   82 ARG  HN           81 ASN  HA          3.50    (#    231:20  Unique         2.48, 2.70 A)
 &rst
  ixpk= 231, nxpk= 20, iat=1261,1249, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ASN  HB+          81 ASN  HA          2.80    (#    232:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1251,1252,
 &end
#
#   81 ASN  HB-          81 ASN  HA          2.80    (#    233:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1251,1252,
 &end
#
#    0 AMB  20-2:234     81 ASN  HA          5.50    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
 &end
#
#   78 ILE  QG2          81 ASN  HA          2.80    (#    235:20  Unique         2.37, 3.06 A)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1206,1207,1208,
 &end
#
#   81 ASN  HN           81 ASN  HB+         3.50    (#    236:20  Unique         3.08, 3.70 A)
 &rst
  ixpk= 236, nxpk= 20, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1251,1252,
 &end
#
#   81 ASN  HN           81 ASN  HB-         3.50    (#    237:20  Unique         3.08, 3.70 A)
 &rst
  ixpk= 237, nxpk= 20, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1251,1252,
 &end
#
#   81 ASN  HD2-         81 ASN  HB+         5.50    (#    238:20  Unique         2.11, 3.26 A)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1256,1257,
 igr2=1251,1252,
 &end
#
#   81 ASN  HD2-         81 ASN  HB-         3.50    (#    239:20  Unique         2.11, 3.26 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1256,1257,
 igr2=1251,1252,
 &end
#
#   81 ASN  HA           81 ASN  HB+         2.80    (#    240:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 240, nxpk= 20, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1251,1252,
 &end
#
#   81 ASN  HA           81 ASN  HB-         2.80    (#    241:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 241, nxpk= 20, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:242      0 AMB  20-1:242    5.50    (#    242:20  Double Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1206,1207,1208,1204,
 igr2=1251,1252,1251,1252,
 &end
#
#    0 AMB  20-2:243     81 ASN  HB-         5.50    (#    243:20  Single Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1206,1207,1208,1204,
 igr2=1251,1252,
 &end
#
#   80 ASP  HN           80 ASP  HA          2.80    (#    244:20  Unique         2.27, 2.28 A)
 &rst
  ixpk= 244, nxpk= 20, iat=1235,1237, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   81 ASN  HN           80 ASP  HA          3.50    (#    245:20  Unique         2.82, 2.90 A)
 &rst
  ixpk= 245, nxpk= 20, iat=1247,1237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 ASP  HB+          80 ASP  HA          2.80    (#    247:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1239,1240,
 &end
#
#   80 ASP  HB-          80 ASP  HA          2.80    (#    248:20  Preassigned    2.53, 2.80 A)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1239,1240,
 &end
#
#    0 AMB  20-2:250     80 ASP  HA          5.50    (#    250:20  Single Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1206,1207,1208,1204,
 &end
#
#   80 ASP  HN           80 ASP  HB+         5.50    (#    251:20  Unique         2.96, 3.44 A)
 &rst
  ixpk= 251, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1239,1240,
 &end
#
#   80 ASP  HN           80 ASP  HB-         4.50    (#    252:20  Unique         2.96, 3.44 A)
 &rst
  ixpk= 252, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1239,1240,
 &end
#
#   80 ASP  HA           80 ASP  HB+         2.80    (#    253:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1239,1240,
 &end
#
#   80 ASP  HA           80 ASP  HB-         2.80    (#    254:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 254, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1239,1240,
 &end
#
#   80 ASP  HN           79 VAL  HA          2.80    (#    255:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1235,1221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:256     79 VAL  HA          3.50    (#    256:20  Single Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1247, 905,
 &end
#
#   79 VAL  HN           79 VAL  HA          2.80    (#    257:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 257, nxpk= 20, iat=1219,1221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 CYS  HA           79 VAL  HA          2.80    (#    258:20  Unique         2.04, 2.50 A)
 &rst
  ixpk= 258, nxpk= 20, iat= 896,1221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:259     79 VAL  HA          2.80    (#    259:20  Single Ambig)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1223, 898, 899,
 &end
#
#   79 VAL  MGY          79 VAL  HA          2.80    (#    260:20  Unique         2.30, 3.17 A)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   79 VAL  MGX          79 VAL  HA          2.80    (#    261:20  Unique         2.30, 3.17 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:262     79 VAL  HA          3.50    (#    262:20  Single Ambig)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1206,1207,1208,1204,
 &end
#
#   79 VAL  HN           79 VAL  HB          2.80    (#    263:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 263, nxpk= 20, iat=1219,1223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   79 VAL  HA           79 VAL  HB          3.50    (#    264:20  Unique         2.42, 2.93 A)
 &rst
  ixpk= 264, nxpk= 20, iat=1221,1223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 ILE  HG1+         79 VAL  HB          3.50    (#    265:20  Unique         1.98, 2.87 A)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1310,1311,
 &end
#
#    0 AMB  20-2:266     79 VAL  HB          4.50    (#    266:20  Single Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 &end
#
#    0 AMB  20-2:267     79 VAL  HB          2.80    (#    267:20  Single Ambig)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
 &end
#
#   79 VAL  MGX          79 VAL  HB          2.80    (#    268:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   80 ASP  HN           79 VAL  MGY         2.80    (#    269:20  Unique         2.01, 4.17 A)
 &rst
  ixpk= 269, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   80 ASP  HN           79 VAL  MGX         3.50    (#    270:20  Unique         2.01, 4.17 A)
 &rst
  ixpk= 270, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:271     79 VAL  MGY         4.50    (#    271:20  Single Ambig)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 905,1247,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   58 ASP  HN           79 VAL  MGY         5.50    (#    272:20  Unique         3.26, 6.17 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   78 ILE  HN           79 VAL  MGX         4.50    (#    273:20  Unique         3.81, 6.10 A)
 &rst
  ixpk= 273, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:274     79 VAL  MGX         4.50    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 905,1247,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:275     79 VAL  MGY         3.50    (#    275:20  Single Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1219, 875,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:276     79 VAL  MGX         2.80    (#    276:20  Single Ambig)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1219, 875,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   59 CYS  HA           79 VAL  MGY         3.50    (#    277:20  Unique         2.00, 4.41 A)
 &rst
  ixpk= 277, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   59 CYS  HA           79 VAL  MGX         3.50    (#    278:20  Unique         2.00, 4.41 A)
 &rst
  ixpk= 278, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   79 VAL  HA           79 VAL  MGY         2.80    (#    279:20  Unique         2.30, 3.17 A)
 &rst
  ixpk= 279, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   79 VAL  HA           79 VAL  MGX         2.80    (#    280:20  Unique         2.30, 3.17 A)
 &rst
  ixpk= 280, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:282     79 VAL  MGY         2.80    (#    282:20  Single Ambig)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1271,1272,1271,1272, 869, 870,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   80 ASP  HB-          79 VAL  MGY         3.50    (#    283:20  Unique         2.21, 5.31 A)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1239,1240,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   57 HIS  HB-          79 VAL  MGY         2.80    (#    284:20  Preassigned    2.99, 5.62 A)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 869, 870,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   84 ILE  HB           79 VAL  MGX         3.50    (#    285:20  Unique         2.83, 5.39 A)
 &rst
  ixpk= 285, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:286     79 VAL  MGY         2.80    (#    286:20  Single Ambig)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 898, 899,1223,1268,1269,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:287     79 VAL  MGX         2.80    (#    287:20  Single Ambig)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 898, 899,1223,1268,1269,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   59 CYS  HB-          79 VAL  MGY         3.50    (#    288:20  Unique         2.01, 5.06 A)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 898, 899,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:289     79 VAL  MGY         4.50    (#    289:20  Single Ambig)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1265,1266,1265,1266,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   59 CYS  HB-          79 VAL  MGX         3.50    (#    290:20  Unique         2.01, 5.06 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 898, 899,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   77 LEU  MDY          79 VAL  MGX         2.80    (#    291:20  Unique         2.00, 5.33 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   54 ILE  QG2          79 VAL  MGY         5.50    (#    292:20  Unique         3.15, 7.15 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 831, 832, 833,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:293     78 ILE  HA          3.50    (#    293:20  Single Ambig)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1300, 905,1247,
 &end
#
#   79 VAL  HN           78 ILE  HA          2.80    (#    294:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 294, nxpk= 20, iat=1219,1202, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 THR  HB           78 ILE  HA          5.50    (#    295:20  Preassigned    5.75, 5.97 A)
 &rst
  ixpk= 295, nxpk= 20, iat=1171,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 ILE  HG1-         78 ILE  HA          3.50    (#    296:20  Preassigned    2.76, 3.59 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1310,1311,
 &end
#
#   78 ILE  HG1-         78 ILE  HA          3.50    (#    297:20  Unique         3.10, 3.41 A)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1210,1211,
 &end
#
#    0 AMB  20-2:298     78 ILE  HA          3.50    (#    298:20  Single Ambig)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1210,1211,1188,
 &end
#
#   78 ILE  QD1          78 ILE  HA          3.50    (#    299:20  Unique         2.00, 2.84 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1213,1214,1215,
 &end
#
#    0 AMB  20-2:300     78 ILE  HA          3.50    (#    300:20  Single Ambig)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1206,1207,1208,1204,
 &end
#
#   78 ILE  HN           78 ILE  HG1-        5.50    (#    301:20  Unique         2.41, 3.39 A)
 &rst
  ixpk= 301, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1210,1211,
 &end
#
#   78 ILE  HN           78 ILE  HG1+        5.50    (#    302:20  Unique         2.41, 3.39 A)
 &rst
  ixpk= 302, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1210,1211,
 &end
#
#   79 VAL  HN           78 ILE  HG1-        5.50    (#    303:20  Preassigned    5.17, 5.42 A)
 &rst
  ixpk= 303, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1210,1211,
 &end
#
#   60 TYR  HE           78 ILE  HG1-        5.50    (#    304:20  Unique         2.75, 7.31 A)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 915, 920,
 igr2=1210,1211,
 &end
#
#   60 TYR  HE           78 ILE  HG1+        5.50    (#    305:20  Unique         2.75, 7.31 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 915, 920,
 igr2=1210,1211,
 &end
#
#   78 ILE  HA           78 ILE  HG1-        3.50    (#    306:20  Unique         3.10, 3.41 A)
 &rst
  ixpk= 306, nxpk= 20, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1210,1211,
 &end
#
#   83 GLU  HA           78 ILE  HG1-        4.50    (#    307:20  Unique         4.46, 4.82 A)
 &rst
  ixpk= 307, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1210,1211,
 &end
#
#   78 ILE  HA           78 ILE  HG1+        4.50    (#    308:20  Unique         3.10, 3.41 A)
 &rst
  ixpk= 308, nxpk= 20, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1210,1211,
 &end
#
#   83 GLU  HA           78 ILE  HG1+        4.50    (#    309:20  Unique         4.46, 4.82 A)
 &rst
  ixpk= 309, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1210,1211,
 &end
#
#   62 LYS  HD+          78 ILE  HG1-        5.50    (#    310:20  Unique         2.04, 3.40 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 955, 956,
 igr2=1210,1211,
 &end
#
#   76 THR  MG2          78 ILE  HG1+        4.50    (#    311:20  Unique         3.18, 4.95 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1173,1174,1175,
 igr2=1210,1211,
 &end
#
#   76 THR  MG2          78 ILE  HG1-        4.50    (#    312:20  Unique         3.18, 4.95 A)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1173,1174,1175,
 igr2=1210,1211,
 &end
#
#   78 ILE  HB           78 ILE  HG1-        2.80    (#    313:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 313, nxpk= 20, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1210,1211,
 &end
#
#   78 ILE  HB           78 ILE  HG1+        2.80    (#    314:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 314, nxpk= 20, iat=1204,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1210,1211,
 &end
#
#    0 AMB  20-2:315     78 ILE  HG1-        2.80    (#    315:20  Single Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1206,1207,1208,1204,
 igr2=1210,1211,
 &end
#
#    0 AMB  20-2:316      0 AMB  20-1:316    2.80    (#    316:20  Double Ambig)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1206,1207,1208,1204,
 igr2=1210,1211,1210,1211,
 &end
#
#   78 ILE  QD1          78 ILE  HG1-        2.80    (#    317:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1213,1214,1215,
 igr2=1210,1211,
 &end
#
#   78 ILE  QD1          78 ILE  HG1+        2.80    (#    318:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1213,1214,1215,
 igr2=1210,1211,
 &end
#
#   84 ILE  HN           78 ILE  QD1         3.50    (#    319:20  Unique         2.81, 3.91 A)
 &rst
  ixpk= 319, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1213,1214,1215,
 &end
#
#   78 ILE  HN           78 ILE  QD1         3.50    (#    320:20  Unique         3.56, 4.45 A)
 &rst
  ixpk= 320, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1213,1214,1215,
 &end
#
#   79 VAL  HN           78 ILE  QD1         4.50    (#    321:20  Unique         3.88, 4.81 A)
 &rst
  ixpk= 321, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1213,1214,1215,
 &end
#
#   77 LEU  HN           78 ILE  QD1         5.50    (#    322:20  Unique         4.42, 5.55 A)
 &rst
  ixpk= 322, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1213,1214,1215,
 &end
#
#   60 TYR  HE           78 ILE  QD1         2.80    (#    323:20  Unique         4.66, 9.09 A)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 915, 920,
 igr2=1213,1214,1215,
 &end
#
#   60 TYR  HD           78 ILE  QD1         5.50    (#    324:20  Unique         5.91, 8.05 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 913, 922,
 igr2=1213,1214,1215,
 &end
#
#   78 ILE  HA           78 ILE  QD1         2.80    (#    326:20  Unique         2.00, 2.84 A)
 &rst
  ixpk= 326, nxpk= 20, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1213,1214,1215,
 &end
#
#   83 GLU  HA           78 ILE  QD1         2.80    (#    327:20  Unique         2.18, 2.75 A)
 &rst
  ixpk= 327, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1213,1214,1215,
 &end
#
#   77 LEU  HA           78 ILE  QD1         3.50    (#    328:20  Unique         4.51, 5.44 A)
 &rst
  ixpk= 328, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1213,1214,1215,
 &end
#
#   76 THR  HB           78 ILE  QD1         3.50    (#    329:20  Unique         2.96, 4.32 A)
 &rst
  ixpk= 329, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1213,1214,1215,
 &end
#
#   62 LYS  HE-          78 ILE  QD1         5.50    (#    330:20  Unique         2.16, 5.24 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 958, 959,
 igr2=1213,1214,1215,
 &end
#
#   62 LYS  HE+          78 ILE  QD1         5.50    (#    331:20  Unique         2.16, 5.24 A)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 958, 959,
 igr2=1213,1214,1215,
 &end
#
#   83 GLU  HG+          78 ILE  QD1         3.50    (#    332:20  Unique         2.87, 4.04 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1292,1293,
 igr2=1213,1214,1215,
 &end
#
#   83 GLU  HG-          78 ILE  QD1         2.80    (#    333:20  Preassigned    2.87, 4.04 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1292,1293,
 igr2=1213,1214,1215,
 &end
#
#    0 AMB  20-2:334     78 ILE  QD1         3.50    (#    334:20  Single Ambig)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1289,1290,1289,1290,
 igr2=1213,1214,1215,
 &end
#
#   62 LYS  HD+          78 ILE  QD1         2.80    (#    335:20  Unique         2.00, 3.97 A)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 955, 956,
 igr2=1213,1214,1215,
 &end
#
#   62 LYS  HD+          78 ILE  QD1         3.50    (#    336:20  Unique         2.00, 3.97 A)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 955, 956,
 igr2=1213,1214,1215,
 &end
#
#    0 AMB  20-2:338     78 ILE  QD1         3.50    (#    338:20  Single Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 952, 953, 952, 953,
 igr2=1213,1214,1215,
 &end
#
#   76 THR  MG2          78 ILE  QD1         2.80    (#    339:20  Unique         2.01, 3.91 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1173,1174,1175,
 igr2=1213,1214,1215,
 &end
#
#   78 ILE  HG1-         78 ILE  QD1         2.80    (#    340:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1210,1211,
 igr2=1213,1214,1215,
 &end
#
#   78 ILE  HG1+         78 ILE  QD1         2.80    (#    341:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1210,1211,
 igr2=1213,1214,1215,
 &end
#
#   81 ASN  HN           78 ILE  QG2         3.50    (#    342:20  Preassigned    2.53, 3.77 A)
 &rst
  ixpk= 342, nxpk= 20, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1206,1207,1208,
 &end
#
#   80 ASP  HN           78 ILE  QG2         5.50    (#    343:20  Unique         4.24, 5.64 A)
 &rst
  ixpk= 343, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1206,1207,1208,
 &end
#
#   78 ILE  HN           78 ILE  QG2         3.50    (#    344:20  Unique         4.37, 4.63 A)
 &rst
  ixpk= 344, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1206,1207,1208,
 &end
#
#   79 VAL  HN           78 ILE  QG2         3.50    (#    345:20  Unique         3.02, 4.01 A)
 &rst
  ixpk= 345, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1206,1207,1208,
 &end
#
#   82 ARG  HN           78 ILE  QG2         3.50    (#    346:20  Unique         1.96, 3.04 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1206,1207,1208,
 &end
#
#   60 TYR  HE           78 ILE  QG2         2.80    (#    347:20  Unique         2.25, 6.85 A)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 915, 920,
 igr2=1206,1207,1208,
 &end
#
#   60 TYR  HD           78 ILE  QG2         4.50    (#    348:20  Unique         3.69, 6.09 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 922,
 igr2=1206,1207,1208,
 &end
#
#   82 ARG  HA           78 ILE  QG2         4.50    (#    350:20  Unique         3.72, 4.76 A)
 &rst
  ixpk= 350, nxpk= 20, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1206,1207,1208,
 &end
#
#   78 ILE  HA           78 ILE  QG2         3.50    (#    351:20  Unique         2.39, 3.10 A)
 &rst
  ixpk= 351, nxpk= 20, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1206,1207,1208,
 &end
#
#   77 LEU  HA           78 ILE  QG2         5.50    (#    352:20  Unique         6.35, 6.58 A)
 &rst
  ixpk= 352, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1206,1207,1208,
 &end
#
#   81 ASN  HA           78 ILE  QG2         2.80    (#    353:20  Unique         2.37, 3.06 A)
 &rst
  ixpk= 353, nxpk= 20, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1206,1207,1208,
 &end
#
#   81 ASN  HB-          78 ILE  QG2         4.50    (#    354:20  Unique         4.64, 5.59 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1251,1252,
 igr2=1206,1207,1208,
 &end
#
#   81 ASN  HB+          78 ILE  QG2         4.50    (#    355:20  Unique         4.64, 5.59 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1251,1252,
 igr2=1206,1207,1208,
 &end
#
#    0 AMB  20-2:356     78 ILE  QG2         4.50    (#    356:20  Single Ambig)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 949, 950,1292,1293,
 igr2=1206,1207,1208,
 &end
#
#    0 AMB  20-2:357     78 ILE  QG2         4.50    (#    357:20  Single Ambig)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1289,1290,1289,1290,
 igr2=1206,1207,1208,
 &end
#
#    0 AMB  20-2:358     78 ILE  QG2         3.50    (#    358:20  Single Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 909, 910, 955, 956,1268,1269,1268,1269,
 igr2=1206,1207,1208,
 &end
#
#    0 AMB  20-2:359     78 ILE  QG2         5.50    (#    359:20  Single Ambig)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 952, 953, 952, 953,
 igr2=1206,1207,1208,
 &end
#
#   78 ILE  HG1-         78 ILE  QG2         2.80    (#    360:20  Unique         2.32, 3.48 A)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1210,1211,
 igr2=1206,1207,1208,
 &end
#
#   78 ILE  HG1+         78 ILE  QG2         2.80    (#    361:20  Unique         2.32, 3.48 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1210,1211,
 igr2=1206,1207,1208,
 &end
#
#   62 LYS  HN           77 LEU  HA          5.50    (#    362:20  Unique         3.60, 4.08 A)
 &rst
  ixpk= 362, nxpk= 20, iat= 945,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN           77 LEU  HA          2.80    (#    363:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 363, nxpk= 20, iat=1200,1183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:365     77 LEU  HA          2.80    (#    365:20  Single Ambig)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1188, 936, 937,
 &end
#
#   77 LEU  HB+          77 LEU  HA          3.50    (#    366:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1185,1186,
 &end
#
#   77 LEU  MDX          77 LEU  HA          2.80    (#    367:20  Unique         2.03, 3.94 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HB-          77 LEU  HA          3.50    (#    368:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1185,1186,
 &end
#
#   77 LEU  HN           77 LEU  HB+         3.50    (#    369:20  Unique         2.26, 2.56 A)
 &rst
  ixpk= 369, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1185,1186,
 &end
#
#   77 LEU  HN           77 LEU  HB-         5.50    (#    370:20  Unique         2.26, 2.56 A)
 &rst
  ixpk= 370, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1185,1186,
 &end
#
#   77 LEU  HA           77 LEU  HB+         5.50    (#    371:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 371, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1185,1186,
 &end
#
#   77 LEU  HA           77 LEU  HB-         5.50    (#    372:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 372, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1185,1186,
 &end
#
#   84 ILE  HB           77 LEU  HB+         5.50    (#    373:20  Unique         1.99, 3.00 A)
 &rst
  ixpk= 373, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1185,1186,
 &end
#
#    0 AMB  20-2:374      0 AMB  20-1:374    2.80    (#    374:20  Double Ambig)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1188, 936, 937,
 igr2=1185,1186,1185,1186,
 &end
#
#    0 AMB  20-2:375     77 LEU  HB-         3.50    (#    375:20  Single Ambig)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1188, 936, 937,
 igr2=1185,1186,
 &end
#
#   77 LEU  MDX          77 LEU  HB-         3.50    (#    378:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1185,1186,
 &end
#
#   77 LEU  MDY          77 LEU  HB+         2.80    (#    379:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1185,1186,
 &end
#
#   77 LEU  MDY          77 LEU  HB-         3.50    (#    380:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2=1185,1186,
 &end
#
#   77 LEU  MDY          77 LEU  HG          2.80    (#    383:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  MDX          77 LEU  HG          2.80    (#    384:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   60 TYR  HN           77 LEU  MDX         3.50    (#    385:20  Unique         2.39, 5.10 A)
 &rst
  ixpk= 385, nxpk= 20, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   78 ILE  HN           77 LEU  MDX         3.50    (#    386:20  Unique         2.19, 4.59 A)
 &rst
  ixpk= 386, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   79 VAL  HN           77 LEU  MDX         5.50    (#    387:20  Unique         3.32, 5.74 A)
 &rst
  ixpk= 387, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   52 PHE  HZ           77 LEU  MDX         3.50    (#    388:20  Unique         2.02, 5.32 A)
 &rst
  ixpk= 388, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   52 PHE  HE           77 LEU  MDX         3.50    (#    389:20  Unique         3.07, 6.45 A)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 804, 808,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:390     77 LEU  MDX         5.50    (#    390:20  Single Ambig)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 896, 350,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   61 ILE  HA           77 LEU  MDX         3.50    (#    391:20  Unique         3.54, 6.13 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HA           77 LEU  MDX         2.80    (#    392:20  Unique         2.03, 3.94 A)
 &rst
  ixpk= 392, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:393     77 LEU  MDX         5.50    (#    393:20  Single Ambig)
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 148, 149, 148, 149,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:394     77 LEU  MDX         2.80    (#    394:20  Single Ambig)
 &rst
  ixpk= 394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 898, 899,1310,1311, 193, 194, 195, 197, 198, 199,
      
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   61 ILE  HG1-         77 LEU  MDX         2.80    (#    395:20  Preassigned    2.06, 5.44 A)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 936, 937,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   84 ILE  QG2          77 LEU  MDX         3.50    (#    396:20  Preassigned    2.00, 5.15 A)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1306,1307,1308,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   59 CYS  HB-          77 LEU  MDX         3.50    (#    397:20  Unique         2.28, 5.17 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 898, 899,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:398     77 LEU  MDX         3.50    (#    398:20  Single Ambig)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1310,1311, 932, 933, 934,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HG           77 LEU  MDX         3.50    (#    399:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 399, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HB+          77 LEU  MDX         2.80    (#    400:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1185,1186,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HB-          77 LEU  MDX         2.80    (#    401:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1185,1186,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HN           77 LEU  MDY         5.50    (#    402:20  Unique         4.23, 5.21 A)
 &rst
  ixpk= 402, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   10 TRP  HD1          77 LEU  MDY         5.50    (#    403:20  Unique         2.68, 5.80 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:404     77 LEU  MDY         2.80    (#    404:20  Single Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 148, 149, 148, 149,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   21 ILE  HB           77 LEU  MDY         5.50    (#    405:20  Unique         3.85, 5.85 A)
 &rst
  ixpk= 405, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   84 ILE  HB           77 LEU  MDY         3.50    (#    406:20  Unique         2.55, 4.35 A)
 &rst
  ixpk= 406, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:407     77 LEU  MDY         4.50    (#    407:20  Single Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 930, 949, 950,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:408     77 LEU  MDY         4.50    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 898, 899,1310,1311, 193, 194, 195, 197, 198, 199,
       188, 189,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   84 ILE  QG2          77 LEU  MDY         2.80    (#    409:20  Unique         2.00, 5.15 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1306,1307,1308,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:410     77 LEU  MDY         4.50    (#    410:20  Single Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1310,1311, 932, 933, 934,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:411     77 LEU  MDY         2.80    (#    411:20  Single Ambig)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 936, 937,1188, 939, 940, 941,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HB+          77 LEU  MDY         2.80    (#    412:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1185,1186,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HB-          77 LEU  MDY         3.50    (#    413:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1185,1186,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HN           76 THR  HA          4.50    (#    414:20  Unique         2.15, 2.18 A)
 &rst
  ixpk= 414, nxpk= 20, iat=1181,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 THR  MG2          76 THR  HA          4.50    (#    415:20  Unique         2.39, 3.12 A)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1173,1174,1175,
 &end
#
#   62 LYS  HN           76 THR  HB          5.50    (#    416:20  Unique         3.37, 3.66 A)
 &rst
  ixpk= 416, nxpk= 20, iat= 945,1171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 THR  HN           76 THR  HB          3.50    (#    417:20  Unique         2.49, 2.55 A)
 &rst
  ixpk= 417, nxpk= 20, iat=1167,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 LEU  HN           76 THR  HB          4.50    (#    419:20  Unique         3.88, 4.10 A)
 &rst
  ixpk= 419, nxpk= 20, iat=1181,1171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 THR  HA           76 THR  HB          3.50    (#    421:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 421, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 GLU  HG+          76 THR  HB          4.50    (#    423:20  Unique         4.21, 4.87 A)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1292,1293,
 &end
#
#    0 AMB  20-2:424     76 THR  HB          3.50    (#    424:20  Single Ambig)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 949, 950,1292,1293,
 &end
#
#   62 LYS  HB-          76 THR  HB          3.50    (#    425:20  Unique         2.56, 4.58 A)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 949, 950,
 &end
#
#   76 THR  MG2          76 THR  HB          2.80    (#    427:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1173,1174,1175,
 &end
#
#   78 ILE  HG1+         76 THR  HB          4.50    (#    428:20  Unique         3.53, 4.37 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1210,1211,
 &end
#
#   78 ILE  QD1          76 THR  HB          3.50    (#    430:20  Unique         2.96, 4.32 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1213,1214,1215,
 &end
#
#   62 LYS  HN           76 THR  MG2         4.50    (#    431:20  Unique         4.54, 5.50 A)
 &rst
  ixpk= 431, nxpk= 20, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1173,1174,1175,
 &end
#
#   76 THR  HN           76 THR  MG2         4.50    (#    432:20  Unique         4.36, 4.61 A)
 &rst
  ixpk= 432, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1173,1174,1175,
 &end
#
#   84 ILE  HN           76 THR  MG2         2.80    (#    433:20  Unique         2.99, 3.45 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1173,1174,1175,
 &end
#
#   78 ILE  HN           76 THR  MG2         4.50    (#    434:20  Preassigned    4.25, 5.59 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1173,1174,1175,
 &end
#
#   77 LEU  HN           76 THR  MG2         3.50    (#    436:20  Unique         2.37, 3.28 A)
 &rst
  ixpk= 436, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1173,1174,1175,
 &end
#
#   75 HIS  HA           76 THR  MG2         5.50    (#    437:20  Unique         6.44, 6.62 A)
 &rst
  ixpk= 437, nxpk= 20, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#   76 THR  HA           76 THR  MG2         2.80    (#    438:20  Unique         2.39, 3.12 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1173,1174,1175,
 &end
#
#   83 GLU  HA           76 THR  MG2         4.50    (#    440:20  Unique         3.23, 3.94 A)
 &rst
  ixpk= 440, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1173,1174,1175,
 &end
#
#   76 THR  HB           76 THR  MG2         2.80    (#    441:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 441, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1173,1174,1175,
 &end
#
#   83 GLU  HG+          76 THR  MG2         2.80    (#    442:20  Unique         2.07, 3.14 A)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1292,1293,
 igr2=1173,1174,1175,
 &end
#
#   76 THR  HN           75 HIS  HA          2.80    (#    444:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 444, nxpk= 20, iat=1167,1152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 HIS  HN           75 HIS  HA          3.50    (#    445:20  Preassigned    2.76, 2.77 A)
 &rst
  ixpk= 445, nxpk= 20, iat=1150,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  HN           75 HIS  HA          4.50    (#    446:20  Unique         3.42, 3.74 A)
 &rst
  ixpk= 446, nxpk= 20, iat= 977,1152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 HIS  HD2          75 HIS  HA          4.50    (#    447:20  Unique         2.38, 3.68 A)
 &rst
  ixpk= 447, nxpk= 20, iat=1163,1152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ALA  HA           75 HIS  HA          3.50    (#    448:20  Unique         2.35, 2.79 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 969,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 HIS  HB+          75 HIS  HA          2.80    (#    449:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1154,1155,
 &end
#
#   75 HIS  HB-          75 HIS  HA          2.80    (#    450:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1154,1155,
 &end
#
#    0 AMB  20-2:451     75 HIS  HA          4.50    (#    451:20  Single Ambig)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 983, 984, 985, 987, 988, 989,1137,1138,1139,
 &end
#
#   63 ALA  MB           75 HIS  HA          5.50    (#    452:20  Unique         3.56, 4.92 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 971, 972, 973,
 &end
#
#   75 HIS  HN           75 HIS  HB+         3.50    (#    453:20  Unique         2.28, 3.02 A)
 &rst
  ixpk= 453, nxpk= 20, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1154,1155,
 &end
#
#   75 HIS  HN           75 HIS  HB-         5.50    (#    454:20  Unique         2.28, 3.02 A)
 &rst
  ixpk= 454, nxpk= 20, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1154,1155,
 &end
#
#   76 THR  HN           75 HIS  HB-         5.50    (#    455:20  Unique         3.59, 4.08 A)
 &rst
  ixpk= 455, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1154,1155,
 &end
#
#    0 AMB  20-2:456     75 HIS  HB-         5.50    (#    456:20  Single Ambig)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163, 159,
 igr2=1154,1155,
 &end
#
#    0 AMB  20-2:457      0 AMB  20-1:457    4.50    (#    457:20  Double Ambig)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1163, 159,
 igr2=1154,1155,1154,1155,
 &end
#
#   75 HIS  HA           75 HIS  HB+         3.50    (#    458:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 458, nxpk= 20, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1154,1155,
 &end
#
#   75 HIS  HA           75 HIS  HB-         3.50    (#    459:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 459, nxpk= 20, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1154,1155,
 &end
#
#   61 ILE  QG2          75 HIS  HB+         3.50    (#    460:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 932, 933, 934,
 igr2=1154,1155,
 &end
#
#   61 ILE  QG2          75 HIS  HB-         2.80    (#    461:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 932, 933, 934,
 igr2=1154,1155,
 &end
#
#   23 LEU  MDY          75 HIS  HB+         5.50    (#    462:20  Unique         2.37, 5.21 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2=1154,1155,
 &end
#
#   23 LEU  MDY          75 HIS  HB-         3.50    (#    463:20  Unique         2.37, 5.21 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2=1154,1155,
 &end
#
#    0 AMB  20-2:464     74 ILE  HA          3.50    (#    464:20  Single Ambig)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1150,1131,
 &end
#
#   73 ILE  HN           74 ILE  HA          5.50    (#    465:20  Unique         5.07, 5.41 A)
 &rst
  ixpk= 465, nxpk= 20, iat=1112,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HB           74 ILE  HA          5.50    (#    466:20  Unique         4.64, 5.18 A)
 &rst
  ixpk= 466, nxpk= 20, iat= 981,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 ILE  HB           74 ILE  HA          3.50    (#    467:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 467, nxpk= 20, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 ILE  HG1-         74 ILE  HA          3.50    (#    469:20  Unique         3.08, 3.45 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1141,1142,
 &end
#
#   74 ILE  HG1+         74 ILE  HA          4.50    (#    470:20  Unique         3.08, 3.45 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1141,1142,
 &end
#
#   74 ILE  QG2          74 ILE  HA          2.80    (#    471:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1137,1138,1139,
 &end
#
#   74 ILE  QD1          74 ILE  HA          3.50    (#    472:20  Unique         2.00, 2.94 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1144,1145,1146,
 &end
#
#   54 ILE  HN           54 ILE  HB          3.50    (#    473:20  Unique         2.51, 2.68 A)
 &rst
  ixpk= 473, nxpk= 20, iat= 825, 829, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ILE  HA           54 ILE  HB          5.50    (#    474:20  Unique         2.43, 2.72 A)
 &rst
  ixpk= 474, nxpk= 20, iat= 827, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 HIS  HB+          54 ILE  HB          4.50    (#    475:20  Unique         2.61, 4.58 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 869, 870,
 &end
#
#   54 ILE  HG1-         54 ILE  HB          2.80    (#    476:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 835, 836,
 &end
#
#   54 ILE  HG1+         54 ILE  HB          2.80    (#    477:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 835, 836,
 &end
#
#   54 ILE  QD1          54 ILE  HB          2.80    (#    478:20  Preassigned    2.15, 3.06 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 838, 839, 840,
 &end
#
#   54 ILE  QG2          54 ILE  HB          2.80    (#    479:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 831, 832, 833,
 &end
#
#   74 ILE  HN           74 ILE  HG1-        2.80    (#    480:20  Unique         2.43, 3.43 A)
 &rst
  ixpk= 480, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1141,1142,
 &end
#
#   74 ILE  HN           74 ILE  HG1+        3.50    (#    481:20  Unique         2.43, 3.43 A)
 &rst
  ixpk= 481, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1141,1142,
 &end
#
#    0 AMB  20-2:483     74 ILE  HG1-        2.80    (#    483:20  Single Ambig)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1133,1114,
 igr2=1141,1142,
 &end
#
#    0 AMB  20-2:484      0 AMB  20-1:484    2.80    (#    484:20  Double Ambig)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1133,1114,
 igr2=1141,1142,1141,1142,
 &end
#
#   74 ILE  HB           74 ILE  HG1-        2.80    (#    485:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 485, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1141,1142,
 &end
#
#   74 ILE  HB           74 ILE  HG1+        2.80    (#    486:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 486, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1141,1142,
 &end
#
#   74 ILE  QD1          74 ILE  HG1-        2.80    (#    487:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1144,1145,1146,
 igr2=1141,1142,
 &end
#
#    0 AMB  20-2:488     74 ILE  QD1         3.50    (#    488:20  Single Ambig)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1131,1150,
 igr2=1144,1145,1146,
 &end
#
#   74 ILE  HA           74 ILE  QD1         3.50    (#    489:20  Unique         2.00, 2.94 A)
 &rst
  ixpk= 489, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1144,1145,1146,
 &end
#
#   66 SER  HB+          74 ILE  QD1         4.50    (#    490:20  Unique         3.06, 4.74 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1008,1009,
 igr2=1144,1145,1146,
 &end
#
#   74 ILE  HB           74 ILE  QD1         3.50    (#    491:20  Preassigned    3.57, 3.92 A)
 &rst
  ixpk= 491, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1144,1145,1146,
 &end
#
#   74 ILE  HG1-         74 ILE  QD1         2.80    (#    492:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1141,1142,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  20-2:493     74 ILE  QG2         3.50    (#    493:20  Single Ambig)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1150,1131,
 igr2=1137,1138,1139,
 &end
#
#   74 ILE  HA           74 ILE  QG2         2.80    (#    494:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 494, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1137,1138,1139,
 &end
#
#   76 THR  HB           74 ILE  QG2         4.50    (#    495:20  Preassigned    4.89, 6.13 A)
 &rst
  ixpk= 495, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1137,1138,1139,
 &end
#
#   74 ILE  HB           74 ILE  QG2         2.80    (#    496:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 496, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1137,1138,1139,
 &end
#
#   74 ILE  HG1-         74 ILE  QG2         2.80    (#    497:20  Unique         2.30, 3.49 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1141,1142,
 igr2=1137,1138,1139,
 &end
#
#   74 ILE  HN           73 ILE  HA          2.80    (#    498:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 498, nxpk= 20, iat=1131,1114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   73 ILE  HN           73 ILE  HA          3.50    (#    499:20  Unique         2.80, 2.85 A)
 &rst
  ixpk= 499, nxpk= 20, iat=1112,1114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 SER  HA           73 ILE  HA          2.80    (#    500:20  Unique         2.27, 2.60 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 995,1114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   73 ILE  HB           73 ILE  HA          3.50    (#    501:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 501, nxpk= 20, iat=1116,1114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:502     73 ILE  HA          2.80    (#    502:20  Single Ambig)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1122,1123,1141,1142,
 &end
#
#   73 ILE  HG1+         73 ILE  HA          3.50    (#    503:20  Unique         3.02, 3.39 A)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1122,1123,
 &end
#
#   73 ILE  QD1          73 ILE  HA          3.50    (#    504:20  Unique         2.02, 2.90 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1125,1126,1127,
 &end
#
#   73 ILE  QG2          73 ILE  HA          2.80    (#    505:20  Unique         2.33, 3.10 A)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1118,1119,1120,
 &end
#
#   74 ILE  HN           73 ILE  HB          5.50    (#    506:20  Unique         3.83, 4.03 A)
 &rst
  ixpk= 506, nxpk= 20, iat=1131,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 ILE  HN           73 ILE  HB          2.80    (#    507:20  Unique         2.50, 2.54 A)
 &rst
  ixpk= 507, nxpk= 20, iat=1112,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 HIS  HE1          73 ILE  HB          5.50    (#    508:20  Unique         3.17, 5.05 A)
 &rst
  ixpk= 508, nxpk= 20, iat=1160,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:509     73 ILE  HB          3.50    (#    509:20  Single Ambig)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1114,1133,
 &end
#
#   73 ILE  HG1-         73 ILE  HB          2.80    (#    510:20  Preassigned    2.42, 2.46 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1122,1123,
 &end
#
#   73 ILE  HG1+         73 ILE  HB          2.80    (#    511:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1122,1123,
 &end
#
#   73 ILE  QD1          73 ILE  HB          3.50    (#    512:20  Unique         3.57, 3.92 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1125,1126,1127,
 &end
#
#   73 ILE  QG2          73 ILE  HB          2.80    (#    513:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1118,1119,1120,
 &end
#
#   74 ILE  HN           73 ILE  HG1+        5.50    (#    515:20  Preassigned    4.97, 5.13 A)
 &rst
  ixpk= 515, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#   73 ILE  HN           73 ILE  HG1-        3.50    (#    516:20  Unique         2.04, 2.91 A)
 &rst
  ixpk= 516, nxpk= 20, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1122,1123,
 &end
#
#   73 ILE  HN           73 ILE  HG1+        3.50    (#    517:20  Unique         2.04, 2.91 A)
 &rst
  ixpk= 517, nxpk= 20, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:518      0 AMB  20-1:518    5.50    (#    518:20  Double Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 995, 729, 730,
 igr2=1122,1123,1122,1123,
 &end
#
#   73 ILE  HA           73 ILE  HG1+        2.80    (#    520:20  Preassigned    3.02, 3.39 A)
 &rst
  ixpk= 520, nxpk= 20, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1122,1123,
 &end
#
#   73 ILE  HB           73 ILE  HG1+        2.80    (#    521:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 521, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1122,1123,
 &end
#
#   73 ILE  HB           73 ILE  HG1-        2.80    (#    522:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 522, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1122,1123,
 &end
#
#   73 ILE  QG2          73 ILE  HG1+        2.80    (#    523:20  Unique         2.31, 3.50 A)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1118,1119,1120,
 igr2=1122,1123,
 &end
#
#   73 ILE  QD1          73 ILE  HG1+        2.80    (#    524:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1125,1126,1127,
 igr2=1122,1123,
 &end
#
#   73 ILE  QG2          73 ILE  HG1-        2.80    (#    525:20  Unique         2.31, 3.50 A)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1118,1119,1120,
 igr2=1122,1123,
 &end
#
#   74 ILE  HN           73 ILE  QD1         5.50    (#    527:20  Unique         3.53, 4.55 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1125,1126,1127,
 &end
#
#   73 ILE  HN           73 ILE  QD1         4.50    (#    528:20  Unique         3.30, 4.13 A)
 &rst
  ixpk= 528, nxpk= 20, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:529     73 ILE  QD1         4.50    (#    529:20  Single Ambig)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1160, 677, 681,
 igr2=1125,1126,1127,
 &end
#
#   65 SER  HA           73 ILE  QD1         3.50    (#    530:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:531     73 ILE  QD1         2.80    (#    531:20  Single Ambig)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1114,1046,
 igr2=1125,1126,1127,
 &end
#
#   73 ILE  HB           73 ILE  QD1         3.50    (#    532:20  Preassigned    3.57, 3.92 A)
 &rst
  ixpk= 532, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1125,1126,1127,
 &end
#
#   73 ILE  HG1-         73 ILE  QD1         2.80    (#    533:20  Preassigned    2.20, 2.62 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1122,1123,
 igr2=1125,1126,1127,
 &end
#
#   74 ILE  HN           73 ILE  QG2         2.80    (#    534:20  Unique         2.23, 3.18 A)
 &rst
  ixpk= 534, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1118,1119,1120,
 &end
#
#   73 ILE  HN           73 ILE  QG2         4.50    (#    535:20  Unique         4.39, 4.54 A)
 &rst
  ixpk= 535, nxpk= 20, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1118,1119,1120,
 &end
#
#   75 HIS  HE1          73 ILE  QG2         3.50    (#    536:20  Unique         2.51, 4.75 A)
 &rst
  ixpk= 536, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1118,1119,1120,
 &end
#
#   75 HIS  HD2          73 ILE  QG2         5.50    (#    537:20  Unique         2.02, 4.67 A)
 &rst
  ixpk= 537, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1118,1119,1120,
 &end
#
#   63 ALA  HA           73 ILE  QG2         3.50    (#    538:20  Unique         2.54, 3.14 A)
 &rst
  ixpk= 538, nxpk= 20, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1118,1119,1120,
 &end
#
#    0 AMB  20-2:540     73 ILE  QG2         4.50    (#    540:20  Single Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 995, 729, 730,
 igr2=1118,1119,1120,
 &end
#
#   73 ILE  HA           73 ILE  QG2         2.80    (#    541:20  Preassigned    2.33, 3.10 A)
 &rst
  ixpk= 541, nxpk= 20, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1118,1119,1120,
 &end
#
#   25 LYS  HE-          73 ILE  QG2         5.50    (#    542:20  Preassigned    6.69, 9.95 A)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 411, 412,
 igr2=1118,1119,1120,
 &end
#
#   64 VAL  HB           73 ILE  QG2         4.50    (#    543:20  Preassigned    4.71, 5.91 A)
 &rst
  ixpk= 543, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1118,1119,1120,
 &end
#
#   73 ILE  HB           73 ILE  QG2         2.80    (#    545:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 545, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1118,1119,1120,
 &end
#
#   73 ILE  HG1-         73 ILE  QG2         2.80    (#    546:20  Unique         2.31, 3.50 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1122,1123,
 igr2=1118,1119,1120,
 &end
#
#   63 ALA  MB           73 ILE  QG2         2.80    (#    547:20  Unique         2.01, 3.33 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 971, 972, 973,
 igr2=1118,1119,1120,
 &end
#
#   73 ILE  HG1+         73 ILE  QG2         2.80    (#    548:20  Unique         2.31, 3.50 A)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1122,1123,
 igr2=1118,1119,1120,
 &end
#
#   72 GLY  HN           72 GLY  HA+         4.50    (#    549:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 549, nxpk= 20, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1107,1108,
 &end
#
#   72 GLY  HN           72 GLY  HA-         3.50    (#    550:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 550, nxpk= 20, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1107,1108,
 &end
#
#   73 ILE  HN           72 GLY  HA+         2.80    (#    551:20  Unique         2.29, 3.11 A)
 &rst
  ixpk= 551, nxpk= 20, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1107,1108,
 &end
#
#   73 ILE  HN           72 GLY  HA-         2.80    (#    552:20  Unique         2.29, 3.11 A)
 &rst
  ixpk= 552, nxpk= 20, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1107,1108,
 &end
#
#    0 AMB  20-2:553     71 GLU  HA          2.80    (#    553:20  Single Ambig)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1097,1098,1097,1098,
 &end
#
#   71 GLU  HB+          71 GLU  HA          2.80    (#    554:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1094,1095,
 &end
#
#   71 GLU  HB-          71 GLU  HA          2.80    (#    555:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1094,1095,
 &end
#
#   71 GLU  HN           71 GLU  HB-         5.50    (#    556:20  Unique         2.14, 2.95 A)
 &rst
  ixpk= 556, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1094,1095,
 &end
#
#   71 GLU  HA           71 GLU  HB+         2.80    (#    557:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 557, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1094,1095,
 &end
#
#   71 GLU  HA           71 GLU  HB-         2.80    (#    558:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 558, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:559      0 AMB  20-1:559    2.80    (#    559:20  Double Ambig)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1097,1098,1097,1098,
 igr2=1094,1095,1094,1095,
 &end
#
#    0 AMB  20-2:560     71 GLU  HB-         2.80    (#    560:20  Single Ambig)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1097,1098,1097,1098,
 igr2=1094,1095,
 &end
#
#   71 GLU  HA            0 AMB  20-1:561    2.80    (#    561:20  Single Ambig)
 &rst
  ixpk= 561, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1097,1098,1097,1098,
 &end
#
#   71 GLU  HN            0 AMB  20-1:562    3.50    (#    562:20  Single Ambig)
 &rst
  ixpk= 562, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1097,1098,1097,1098,
 &end
#
#   71 GLU  HN           70 LYS  HA          5.50    (#    566:20  Unique         2.14, 2.98 A)
 &rst
  ixpk= 566, nxpk= 20, iat=1090,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:569     70 LYS  HA          2.80    (#    569:20  Single Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1072,1073,1072,1073,
 &end
#
#    0 AMB  20-2:570     70 LYS  HA          3.50    (#    570:20  Single Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1078,1079,1078,1079,
 &end
#
#    0 AMB  20-2:571     70 LYS  HA          3.50    (#    571:20  Single Ambig)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1075,1076,1075,1076,
 &end
#
#   70 LYS  HA            0 AMB  20-1:573    2.80    (#    573:20  Single Ambig)
 &rst
  ixpk= 573, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1072,1073,1072,1073,
 &end
#
#    0 AMB  20-2:574      0 AMB  20-1:574    2.80    (#    574:20  Double Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1075,1076,1075,1076,1075,1076,
 igr2=1072,1073,1072,1073,1072,1073,
 &end
#
#   70 LYS  HA            0 AMB  20-1:575    4.50    (#    575:20  Single Ambig)
 &rst
  ixpk= 575, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1075,1076,1075,1076,
 &end
#
#    0 AMB  20-2:576      0 AMB  20-1:576    2.80    (#    576:20  Double Ambig)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  79,  80,  79,  80,1081,1082,1081,1082,1081,1082,
      
 igr2=  73,  74,1075,1076,1075,1076,1075,1076,
 &end
#
#   70 LYS  HA            0 AMB  20-1:577    4.50    (#    577:20  Single Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1078,1079,1078,1079,
 &end
#
#    0 AMB  20-2:578      0 AMB  20-1:578    2.80    (#    578:20  Double Ambig)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=  79,  80,  79,  80,  79,  80,1081,1082,1081,1082,
      1081,1082,
 igr2=  76,  77,  76,  77,  76,  77,1078,1079,1078,1079,
      1078,1079,
 &end
#
#    0 AMB  20-2:579      0 AMB  20-1:579    2.80    (#    579:20  Double Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=  76,  77,  76,  77,  76,  77,1078,1079,1078,1079,
      1078,1079,
 igr2=  79,  80,  79,  80,  79,  80,1081,1082,1081,1082,
      1081,1082,
 &end
#
#    0 AMB  20-2:580      0 AMB  20-1:580    2.80    (#    580:20  Double Ambig)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  73,  74,  73,  74,
 igr2=  79,  80,  79,  80,
 &end
#
#   66 SER  HN            0 AMB  20-1:581    5.50    (#    581:20  Single Ambig)
 &rst
  ixpk= 581, nxpk= 20, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1008,1009, 997, 998,
 &end
#
#   66 SER  HN           66 SER  HB-         5.50    (#    582:20  Unique         2.14, 2.96 A)
 &rst
  ixpk= 582, nxpk= 20, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1008,1009,
 &end
#
#   74 ILE  HG1+         66 SER  HB+         5.50    (#    585:20  Unique         2.09, 3.15 A)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1141,1142,
 igr2=1008,1009,
 &end
#
#   66 SER  HA           66 SER  HB+         2.80    (#    586:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 586, nxpk= 20, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1008,1009,
 &end
#
#   66 SER  HA           66 SER  HB-         2.80    (#    587:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 587, nxpk= 20, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1008,1009,
 &end
#
#   64 VAL  HB           66 SER  HB+         3.50    (#    588:20  Preassigned    3.37, 5.18 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1008,1009,
 &end
#
#   64 VAL  HB           66 SER  HB-         4.50    (#    589:20  Preassigned    3.37, 5.18 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1008,1009,
 &end
#
#   74 ILE  HB           66 SER  HB+         4.50    (#    590:20  Preassigned    3.25, 4.59 A)
 &rst
  ixpk= 590, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1008,1009,
 &end
#
#   74 ILE  HB           66 SER  HB-         5.50    (#    593:20  Preassigned    3.25, 4.59 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1008,1009,
 &end
#
#   74 ILE  HG1-         66 SER  HB+         2.80    (#    594:20  Unique         2.09, 3.15 A)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1141,1142,
 igr2=1008,1009,
 &end
#
#   74 ILE  HG1-         66 SER  HB-         2.80    (#    595:20  Unique         2.09, 3.15 A)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1141,1142,
 igr2=1008,1009,
 &end
#
#   74 ILE  QD1          66 SER  HB+         4.50    (#    596:20  Unique         3.06, 4.74 A)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1144,1145,1146,
 igr2=1008,1009,
 &end
#
#   74 ILE  QD1          66 SER  HB-         4.50    (#    597:20  Unique         3.06, 4.74 A)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1144,1145,1146,
 igr2=1008,1009,
 &end
#
#   73 ILE  QG2          65 SER  HB-         5.50    (#    598:20  Preassigned    4.93, 6.88 A)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1118,1119,1120,
 igr2= 997, 998,
 &end
#
#   74 ILE  HG1+         66 SER  HB-         5.50    (#    599:20  Unique         2.09, 3.15 A)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1141,1142,
 igr2=1008,1009,
 &end
#
#   65 SER  HN           65 SER  HA          5.50    (#    601:20  Unique         2.77, 2.86 A)
 &rst
  ixpk= 601, nxpk= 20, iat= 993, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 ILE  HG1+         65 SER  HA          5.50    (#    602:20  Unique         3.68, 4.78 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1122,1123,
 &end
#
#   65 SER  HN           65 SER  HB-         3.50    (#    603:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#   65 SER  HN           65 SER  HB+         3.50    (#    604:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 604, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#   65 SER  HA           65 SER  HB-         2.80    (#    605:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 997, 998,
 &end
#
#   65 SER  HA           65 SER  HB+         2.80    (#    606:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 606, nxpk= 20, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 997, 998,
 &end
#
#    0 AMB  20-2:607      0 AMB  20-1:607    5.50    (#    607:20  Double Ambig)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1141,1142,  73,  74,  73,  74,
 igr2=1008,1009,  59,  60,  59,  60,
 &end
#
#   73 ILE  HG1-         65 SER  HB+         4.50    (#    608:20  Preassigned    4.41, 5.96 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1122,1123,
 igr2= 997, 998,
 &end
#
#   73 ILE  QD1          65 SER  HB-         3.50    (#    609:20  Unique         2.22, 4.15 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1125,1126,1127,
 igr2= 997, 998,
 &end
#
#   73 ILE  QD1          65 SER  HB+         3.50    (#    610:20  Unique         2.22, 4.15 A)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1125,1126,1127,
 igr2= 997, 998,
 &end
#
#   65 SER  HN           64 VAL  HA          2.80    (#    611:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 611, nxpk= 20, iat= 993, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 VAL  HN           64 VAL  HA          2.80    (#    612:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 VAL  HB           64 VAL  HA          3.50    (#    613:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 613, nxpk= 20, iat= 981, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  MGY          64 VAL  HA          2.80    (#    614:20  Unique         2.30, 3.11 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  MGX          64 VAL  HA          2.80    (#    615:20  Unique         2.30, 3.11 A)
 &rst
  ixpk= 615, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  HN           64 VAL  HB          2.80    (#    616:20  Unique         2.52, 2.60 A)
 &rst
  ixpk= 616, nxpk= 20, iat= 977, 981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 VAL  HA           64 VAL  HB          3.50    (#    617:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 979, 981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  MGY          64 VAL  HB          2.80    (#    618:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  MGX          64 VAL  HB          2.80    (#    619:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  HN           64 VAL  MGX         2.80    (#    620:20  Unique         2.27, 3.98 A)
 &rst
  ixpk= 620, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  HA           64 VAL  MGX         2.80    (#    621:20  Unique         2.30, 3.11 A)
 &rst
  ixpk= 621, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#    0 AMB  20-2:622     64 VAL  MGX         4.50    (#    622:20  Single Ambig)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1171,1008,1009,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   62 LYS  HE+          64 VAL  MGX         3.50    (#    623:20  Unique         2.00, 4.73 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 958, 959,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  HB           64 VAL  MGX         2.80    (#    624:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 624, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#    0 AMB  20-2:625     64 VAL  MGX         2.80    (#    625:20  Single Ambig)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 955, 956,1135,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  HN           64 VAL  MGY         3.50    (#    626:20  Unique         2.27, 3.98 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   64 VAL  HA           64 VAL  MGY         2.80    (#    627:20  Unique         2.30, 3.11 A)
 &rst
  ixpk= 627, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   31 TRP  HB-          22 VAL  MGY         3.50    (#    628:20  Preassigned    2.97, 4.98 A)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 491, 492,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   64 VAL  HB           64 VAL  MGY         2.80    (#    629:20  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 629, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   23 LEU  HN           22 VAL  MGY         3.50    (#    631:20  Preassigned    2.05, 4.53 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   64 VAL  HN           63 ALA  HA          2.80    (#    632:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 632, nxpk= 20, iat= 977, 969, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 HIS  HA           63 ALA  HA          4.50    (#    633:20  Unique         2.35, 2.79 A)
 &rst
  ixpk= 633, nxpk= 20, iat=1152, 969, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ALA  MB           63 ALA  HA          2.80    (#    635:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 971, 972, 973,
 &end
#
#   63 ALA  HN           63 ALA  MB          2.80    (#    636:20  Unique         2.19, 3.01 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 971, 972, 973,
 &end
#
#   64 VAL  HN           63 ALA  MB          3.50    (#    637:20  Unique         3.58, 4.17 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 971, 972, 973,
 &end
#
#   48 THR  HN           63 ALA  MB          2.80    (#    638:20  Unique         1.95, 2.92 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 971, 972, 973,
 &end
#
#   75 HIS  HE1          63 ALA  MB          5.50    (#    639:20  Unique         2.34, 5.59 A)
 &rst
  ixpk= 639, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 971, 972, 973,
 &end
#
#   75 HIS  HD2          63 ALA  MB          3.50    (#    640:20  Unique         2.57, 5.53 A)
 &rst
  ixpk= 640, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 971, 972, 973,
 &end
#
#   75 HIS  HA           63 ALA  MB          3.50    (#    641:20  Unique         3.56, 4.92 A)
 &rst
  ixpk= 641, nxpk= 20, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 971, 972, 973,
 &end
#
#   63 ALA  HA           63 ALA  MB          2.80    (#    642:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 642, nxpk= 20, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 971, 972, 973,
 &end
#
#   48 THR  HB           63 ALA  MB          4.50    (#    643:20  Unique         2.11, 3.95 A)
 &rst
  ixpk= 643, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 971, 972, 973,
 &end
#
#   73 ILE  QG2          63 ALA  MB          2.80    (#    644:20  Unique         2.01, 3.33 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1118,1119,1120,
 igr2= 971, 972, 973,
 &end
#
#   63 ALA  HN           62 LYS  HA          2.80    (#    645:20  Unique         2.16, 2.23 A)
 &rst
  ixpk= 645, nxpk= 20, iat= 967, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 GLU  HA           62 LYS  HA          3.50    (#    646:20  Unique         2.62, 3.64 A)
 &rst
  ixpk= 646, nxpk= 20, iat= 750, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HB+          62 LYS  HA          2.80    (#    647:20  Unique         2.37, 2.51 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 949, 950,
 &end
#
#   62 LYS  HB-          62 LYS  HA          2.80    (#    648:20  Unique         2.37, 2.51 A)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 949, 950,
 &end
#
#    0 AMB  20-2:649     62 LYS  HA          2.80    (#    649:20  Single Ambig)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 952, 953, 952, 953,
 &end
#
#   62 LYS  HN           62 LYS  HB+         3.50    (#    650:20  Unique         2.44, 3.23 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 949, 950,
 &end
#
#   62 LYS  HN           62 LYS  HB-         5.50    (#    651:20  Unique         2.44, 3.23 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 949, 950,
 &end
#
#   63 ALA  HN           62 LYS  HB+         5.50    (#    652:20  Unique         2.67, 3.63 A)
 &rst
  ixpk= 652, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 949, 950,
 &end
#
#   63 ALA  HN           62 LYS  HB-         5.50    (#    653:20  Unique         2.67, 3.63 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 949, 950,
 &end
#
#   60 TYR  HE           62 LYS  HB+         5.50    (#    654:20  Unique         2.05, 7.95 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 915, 920,
 igr2= 949, 950,
 &end
#
#   60 TYR  HE           62 LYS  HB-         3.50    (#    655:20  Unique         2.05, 7.95 A)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 915, 920,
 igr2= 949, 950,
 &end
#
#   60 TYR  HD           62 LYS  HB-         5.50    (#    656:20  Unique         3.10, 6.97 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 913, 922,
 igr2= 949, 950,
 &end
#
#   60 TYR  HD           62 LYS  HB+         5.50    (#    657:20  Unique         3.10, 6.97 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 913, 922,
 igr2= 949, 950,
 &end
#
#   62 LYS  HA           62 LYS  HB+         2.80    (#    658:20  Unique         2.37, 2.51 A)
 &rst
  ixpk= 658, nxpk= 20, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 949, 950,
 &end
#
#   62 LYS  HA           62 LYS  HB-         2.80    (#    659:20  Unique         2.37, 2.51 A)
 &rst
  ixpk= 659, nxpk= 20, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 949, 950,
 &end
#
#    0 AMB  20-2:660      0 AMB  20-1:660    2.80    (#    660:20  Double Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 952, 953, 952, 953,
 igr2= 949, 950, 949, 950,
 &end
#
#    0 AMB  20-2:661     62 LYS  HB-         2.80    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 952, 953, 952, 953,
 igr2= 949, 950,
 &end
#
#   78 ILE  QD1          62 LYS  HB-         5.50    (#    662:20  Unique         3.42, 5.55 A)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1213,1214,1215,
 igr2= 949, 950,
 &end
#
#   78 ILE  QD1          62 LYS  HB+         5.50    (#    663:20  Unique         3.42, 5.55 A)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1213,1214,1215,
 igr2= 949, 950,
 &end
#
#   62 LYS  HN            0 AMB  20-1:664    4.50    (#    664:20  Single Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 952, 953, 952, 953,
 &end
#
#   62 LYS  HA            0 AMB  20-1:665    2.80    (#    665:20  Single Ambig)
 &rst
  ixpk= 665, nxpk= 20, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 952, 953, 952, 953,
 &end
#
#   62 LYS  HE-           0 AMB  20-1:666    3.50    (#    666:20  Single Ambig)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 958, 959,
 igr2= 952, 953, 952, 953,
 &end
#
#    0 AMB  20-2:667      0 AMB  20-1:667    3.50    (#    667:20  Double Ambig)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 958, 959, 958, 959,
 igr2= 952, 953, 952, 953,
 &end
#
#    0 AMB  20-2:668      0 AMB  20-1:668    2.80    (#    668:20  Double Ambig)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 949, 950, 949, 950,
 igr2= 952, 953, 952, 953,
 &end
#
#   78 ILE  QD1           0 AMB  20-1:669    4.50    (#    669:20  Single Ambig)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1213,1214,1215,
 igr2= 952, 953, 952, 953,
 &end
#
#   25 LYS  HN            0 AMB  20-1:670    5.50    (#    670:20  Single Ambig)
 &rst
  ixpk= 670, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 408, 409, 408, 409,
 &end
#
#   60 TYR  HE           62 LYS  HD+         4.50    (#    671:20  Unique         3.17, 8.91 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 915, 920,
 igr2= 955, 956,
 &end
#
#   62 LYS  HA           62 LYS  HD+         4.50    (#    672:20  Unique         4.01, 4.85 A)
 &rst
  ixpk= 672, nxpk= 20, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 955, 956,
 &end
#
#    0 AMB  20-2:675      0 AMB  20-1:675    2.80    (#    675:20  Double Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 411, 412, 411, 412, 958, 959,
 igr2= 408, 409, 408, 409, 955, 956,
 &end
#
#    0 AMB  20-2:678      0 AMB  20-1:678    5.50    (#    678:20  Double Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1237,  92,
 igr2= 886, 887, 411, 412,
 &end
#
#    0 AMB  20-2:679      0 AMB  20-1:679    2.80    (#    679:20  Double Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 402, 403, 402, 403, 955, 956,
 igr2= 411, 412, 411, 412, 958, 959,
 &end
#
#    0 AMB  20-2:680      0 AMB  20-1:680    2.80    (#    680:20  Double Ambig)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 402, 403, 402, 403, 955, 956,
 igr2= 411, 412, 958, 959,
 &end
#
#    0 AMB  20-2:681      0 AMB  20-1:681    2.80    (#    681:20  Double Ambig)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 408, 409, 408, 409, 955, 956,
 igr2= 411, 412, 411, 412, 958, 959,
 &end
#
#    0 AMB  20-2:682      0 AMB  20-1:682    2.80    (#    682:20  Double Ambig)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 408, 409, 408, 409, 955, 956,
 igr2= 411, 412, 958, 959,
 &end
#
#   64 VAL  MGX          62 LYS  HE+         2.80    (#    683:20  Preassigned    2.00, 4.73 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 983, 984, 985, 987, 988, 989,
 igr2= 958, 959,
 &end
#
#    0 AMB  20-2:684     62 LYS  HE-         2.80    (#    684:20  Single Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 983, 984, 985, 987, 988, 989,1210,1211,
 igr2= 958, 959,
 &end
#
#   78 ILE  QD1          62 LYS  HE+         5.50    (#    685:20  Unique         2.16, 5.24 A)
 &rst
  ixpk= 685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1213,1214,1215,
 igr2= 958, 959,
 &end
#
#   78 ILE  QD1          62 LYS  HE-         5.50    (#    686:20  Unique         2.16, 5.24 A)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1213,1214,1215,
 igr2= 958, 959,
 &end
#
#    0 AMB  20-2:687      0 AMB  20-1:687    2.80    (#    687:20  Double Ambig)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 952, 953, 952, 953,
 igr2= 958, 959, 958, 959,
 &end
#
#    0 AMB  20-2:688     62 LYS  HE-         2.80    (#    688:20  Single Ambig)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 952, 953, 952, 953,
 igr2= 958, 959,
 &end
#
#   62 LYS  HN           61 ILE  HA          2.80    (#    689:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 945, 928, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ILE  HG1-         61 ILE  HA          5.50    (#    691:20  Unique         2.29, 2.79 A)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 937,
 &end
#
#   61 ILE  QG2          61 ILE  HA          4.50    (#    692:20  Unique         2.38, 3.11 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 932, 933, 934,
 &end
#
#    0 AMB  20-2:693     61 ILE  HA          4.50    (#    693:20  Single Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 936, 937, 939, 940, 941,
 &end
#
#   61 ILE  HB           61 ILE  HA          5.50    (#    694:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 930, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LEU  MDX          61 ILE  HA          5.50    (#    695:20  Unique         3.54, 6.13 A)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   50 THR  HN           61 ILE  HB          5.50    (#    696:20  Unique         1.94, 2.42 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 763, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ILE  HN           61 ILE  HB          2.80    (#    697:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 697, nxpk= 20, iat= 926, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ILE  HA           61 ILE  HB          3.50    (#    698:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 698, nxpk= 20, iat= 928, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 THR  HB           61 ILE  HB          2.80    (#    699:20  Unique         2.00, 2.51 A)
 &rst
  ixpk= 699, nxpk= 20, iat= 767, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 THR  MG2          61 ILE  HB          4.50    (#    700:20  Preassigned    3.95, 4.77 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 769, 770, 771,
 &end
#
#   61 ILE  QG2          61 ILE  HB          2.80    (#    701:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 932, 933, 934,
 &end
#
#    0 AMB  20-2:702     61 ILE  HB          2.80    (#    702:20  Single Ambig)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 939, 940, 941, 936, 937,
 &end
#
#   61 ILE  HN           61 ILE  HG1-        5.50    (#    703:20  Unique         2.31, 3.40 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 936, 937,
 &end
#
#   61 ILE  HN           61 ILE  HG1+        5.50    (#    704:20  Unique         2.31, 3.40 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 936, 937,
 &end
#
#   52 PHE  HE           61 ILE  HG1-        3.50    (#    705:20  Unique         2.00, 5.50 A)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 804, 808,
 igr2= 936, 937,
 &end
#
#   52 PHE  HE           61 ILE  HG1+        3.50    (#    706:20  Unique         2.00, 5.50 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 804, 808,
 igr2= 936, 937,
 &end
#
#   61 ILE  HA           61 ILE  HG1-        5.50    (#    707:20  Unique         2.29, 2.79 A)
 &rst
  ixpk= 707, nxpk= 20, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 936, 937,
 &end
#
#   61 ILE  HA           61 ILE  HG1+        4.50    (#    708:20  Unique         2.29, 2.79 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 936, 937,
 &end
#
#   77 LEU  MDX          61 ILE  HG1-        2.80    (#    709:20  Unique         2.06, 5.44 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 936, 937,
 &end
#
#   77 LEU  MDX          61 ILE  HG1+        3.50    (#    710:20  Unique         2.06, 5.44 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 936, 937,
 &end
#
#    0 AMB  20-2:711     61 ILE  QD1         5.50    (#    711:20  Single Ambig)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 777, 945,
 igr2= 939, 940, 941,
 &end
#
#   50 THR  HN           61 ILE  QD1         5.50    (#    712:20  Preassigned    3.58, 4.85 A)
 &rst
  ixpk= 712, nxpk= 20, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
#   61 ILE  HN           61 ILE  QD1         4.50    (#    713:20  Unique         2.06, 4.69 A)
 &rst
  ixpk= 713, nxpk= 20, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#   10 TRP  HZ2          61 ILE  QD1         5.50    (#    714:20  Unique         5.57,12.16 A)
 &rst
  ixpk= 714, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
#   10 TRP  HE3          61 ILE  QD1         4.50    (#    715:20  Unique         5.84,10.86 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#   52 PHE  HE           61 ILE  QD1         3.50    (#    716:20  Unique         2.01, 5.87 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 804, 808,
 igr2= 939, 940, 941,
 &end
#
#   23 LEU  HA           61 ILE  QD1         4.50    (#    717:20  Preassigned    4.67, 5.88 A)
 &rst
  ixpk= 717, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#   61 ILE  HA           61 ILE  QD1         4.50    (#    718:20  Unique         3.68, 4.60 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#   77 LEU  HA           61 ILE  QD1         4.50    (#    719:20  Unique         4.21, 5.54 A)
 &rst
  ixpk= 719, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#   50 THR  HB           61 ILE  QD1         4.50    (#    721:20  Unique         2.00, 2.98 A)
 &rst
  ixpk= 721, nxpk= 20, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#   23 LEU  HB+          61 ILE  QD1         3.50    (#    722:20  Preassigned    3.38, 5.30 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 368, 369,
 igr2= 939, 940, 941,
 &end
#
#   61 ILE  HB           61 ILE  QD1         3.50    (#    723:20  Preassigned    2.31, 3.08 A)
 &rst
  ixpk= 723, nxpk= 20, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 939, 940, 941,
 &end
#
#   61 ILE  HG1-         61 ILE  QD1         2.80    (#    724:20  Preassigned    2.20, 2.62 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 936, 937,
 igr2= 939, 940, 941,
 &end
#
#   28 MET  ME           61 ILE  QD1         4.50    (#    725:20  Unique         2.48, 4.90 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 453, 454, 455,
 igr2= 939, 940, 941,
 &end
#
#    0 AMB  20-2:727     61 ILE  QD1         3.50    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 371, 475,
 igr2= 939, 940, 941,
 &end
#
#   50 THR  MG2          61 ILE  QD1         2.80    (#    728:20  Unique         2.08, 4.07 A)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 769, 770, 771,
 igr2= 939, 940, 941,
 &end
#
#   61 ILE  QG2          61 ILE  QD1         3.50    (#    729:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933, 934,
 igr2= 939, 940, 941,
 &end
#
#   77 LEU  MDX          61 ILE  QD1         3.50    (#    730:20  Unique         3.09, 6.75 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 939, 940, 941,
 &end
#
#   77 LEU  MDX          61 ILE  QD1         3.50    (#    731:20  Unique         3.09, 6.75 A)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 939, 940, 941,
 &end
#
#   30 VAL  MGX          61 ILE  QD1         3.50    (#    732:20  Unique         2.72, 5.95 A)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 939, 940, 941,
 &end
#
#   77 LEU  HB-          61 ILE  QD1         4.50    (#    733:20  Unique         4.54, 6.93 A)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1185,1186,
 igr2= 939, 940, 941,
 &end
#
#   62 LYS  HN           61 ILE  QG2         3.50    (#    734:20  Unique         2.03, 3.40 A)
 &rst
  ixpk= 734, nxpk= 20, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 932, 933, 934,
 &end
#
#   76 THR  HN           61 ILE  QG2         3.50    (#    735:20  Unique         2.65, 4.02 A)
 &rst
  ixpk= 735, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 932, 933, 934,
 &end
#
#   61 ILE  HN           61 ILE  QG2         4.50    (#    736:20  Preassigned    4.36, 4.66 A)
 &rst
  ixpk= 736, nxpk= 20, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 932, 933, 934,
 &end
#
#   10 TRP  HZ2          61 ILE  QG2         4.50    (#    737:20  Unique         5.73,12.19 A)
 &rst
  ixpk= 737, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 932, 933, 934,
 &end
#
#    0 AMB  20-2:738     61 ILE  QG2         4.50    (#    738:20  Single Ambig)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 161, 804, 808,
 igr2= 932, 933, 934,
 &end
#
#   75 HIS  HD2          61 ILE  QG2         3.50    (#    739:20  Unique         2.10, 4.40 A)
 &rst
  ixpk= 739, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 932, 933, 934,
 &end
#
#   75 HIS  HA           61 ILE  QG2         3.50    (#    740:20  Unique         2.87, 3.60 A)
 &rst
  ixpk= 740, nxpk= 20, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 932, 933, 934,
 &end
#
#   61 ILE  HA           61 ILE  QG2         3.50    (#    741:20  Unique         2.38, 3.11 A)
 &rst
  ixpk= 741, nxpk= 20, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 932, 933, 934,
 &end
#
#   50 THR  HB           61 ILE  QG2         4.50    (#    743:20  Unique         3.91, 4.81 A)
 &rst
  ixpk= 743, nxpk= 20, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 932, 933, 934,
 &end
#
#   75 HIS  HB+          61 ILE  QG2         2.80    (#    744:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1154,1155,
 igr2= 932, 933, 934,
 &end
#
#   75 HIS  HB-          61 ILE  QG2         3.50    (#    745:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1154,1155,
 igr2= 932, 933, 934,
 &end
#
#   28 MET  ME           61 ILE  QG2         3.50    (#    746:20  Unique         3.30, 5.76 A)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 453, 454, 455,
 igr2= 932, 933, 934,
 &end
#
#   61 ILE  HB           61 ILE  QG2         2.80    (#    747:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 932, 933, 934,
 &end
#
#   61 ILE  HG1-         61 ILE  QG2         2.80    (#    748:20  Unique         2.00, 3.44 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 936, 937,
 igr2= 932, 933, 934,
 &end
#
#   77 LEU  HB-          61 ILE  QG2         5.50    (#    749:20  Unique         4.50, 6.72 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1185,1186,
 igr2= 932, 933, 934,
 &end
#
#   52 PHE  HN           60 TYR  HA          3.50    (#    750:20  Preassigned    3.25, 3.89 A)
 &rst
  ixpk= 750, nxpk= 20, iat= 794, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ILE  HN           60 TYR  HB+         4.50    (#    751:20  Unique         2.10, 3.36 A)
 &rst
  ixpk= 751, nxpk= 20, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 909, 910,
 &end
#
#   61 ILE  HN           60 TYR  HB-         3.50    (#    752:20  Unique         2.10, 3.36 A)
 &rst
  ixpk= 752, nxpk= 20, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:753      0 AMB  20-1:753    2.80    (#    753:20  Double Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 913, 922, 787,
 igr2= 909, 910, 909, 910,
 &end
#
#    0 AMB  20-2:754     60 TYR  HB-         2.80    (#    754:20  Single Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 913, 922, 787,
 igr2= 909, 910,
 &end
#
#   60 TYR  HA           60 TYR  HB+         2.80    (#    755:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 755, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:756      0 AMB  20-1:756    3.50    (#    756:20  Double Ambig)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 779, 928,
 igr2= 909, 910, 909, 910,
 &end
#
#   60 TYR  HA           60 TYR  HB-         2.80    (#    757:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 757, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:758     60 TYR  HB-         2.80    (#    758:20  Single Ambig)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 779, 928,
 igr2= 909, 910,
 &end
#
#   60 TYR  HN           59 CYS  HA          2.80    (#    760:20  Unique         2.25, 2.37 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 905, 896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   79 VAL  HA           59 CYS  HA          3.50    (#    761:20  Unique         2.04, 2.50 A)
 &rst
  ixpk= 761, nxpk= 20, iat=1221, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 CYS  HB+          59 CYS  HA          2.80    (#    762:20  Preassigned    2.39, 2.70 A)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 898, 899,
 &end
#
#   59 CYS  HB-          59 CYS  HA          2.80    (#    763:20  Unique         2.39, 2.70 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 898, 899,
 &end
#
#   79 VAL  MGX          59 CYS  HA          3.50    (#    764:20  Unique         2.00, 4.41 A)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   78 ILE  HB           59 CYS  HA          5.50    (#    765:20  Unique         4.45, 4.80 A)
 &rst
  ixpk= 765, nxpk= 20, iat=1204, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LEU  MDX          59 CYS  HA          5.50    (#    766:20  Unique         3.63, 5.93 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   60 TYR  HN           59 CYS  HB+         2.80    (#    767:20  Unique         2.24, 3.21 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 898, 899,
 &end
#
#   60 TYR  HN           59 CYS  HB-         4.50    (#    768:20  Unique         2.24, 3.21 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 898, 899,
 &end
#
#   59 CYS  HN           59 CYS  HB-         3.50    (#    769:20  Unique         2.66, 3.25 A)
 &rst
  ixpk= 769, nxpk= 20, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 898, 899,
 &end
#
#   59 CYS  HN           59 CYS  HB+         3.50    (#    770:20  Unique         2.66, 3.25 A)
 &rst
  ixpk= 770, nxpk= 20, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 898, 899,
 &end
#
#   52 PHE  HE           59 CYS  HB+         3.50    (#    771:20  Unique         2.64, 4.83 A)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 804, 808,
 igr2= 898, 899,
 &end
#
#   52 PHE  HE           59 CYS  HB-         3.50    (#    772:20  Unique         2.64, 4.83 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 804, 808,
 igr2= 898, 899,
 &end
#
#   59 CYS  HA           59 CYS  HB+         2.80    (#    773:20  Unique         2.39, 2.70 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 898, 899,
 &end
#
#   59 CYS  HA           59 CYS  HB-         2.80    (#    774:20  Unique         2.39, 2.70 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 898, 899,
 &end
#
#   79 VAL  MGX          59 CYS  HB+         2.80    (#    776:20  Unique         2.01, 5.06 A)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2= 898, 899,
 &end
#
#   79 VAL  MGX          59 CYS  HB-         3.50    (#    777:20  Unique         2.01, 5.06 A)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2= 898, 899,
 &end
#
#   77 LEU  MDX          59 CYS  HB+         2.80    (#    778:20  Unique         2.28, 5.17 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 898, 899,
 &end
#
#   77 LEU  MDX          59 CYS  HB-         3.50    (#    779:20  Unique         2.28, 5.17 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 898, 899,
 &end
#
#   80 ASP  HN           58 ASP  HB+         5.50    (#    780:20  Unique         2.40, 4.31 A)
 &rst
  ixpk= 780, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   80 ASP  HN           58 ASP  HB-         5.50    (#    781:20  Unique         2.40, 4.31 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   58 ASP  HN           58 ASP  HB+         2.80    (#    782:20  Unique         2.22, 3.05 A)
 &rst
  ixpk= 782, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 886, 887,
 &end
#
#   58 ASP  HN           58 ASP  HB-         2.80    (#    783:20  Unique         2.22, 3.05 A)
 &rst
  ixpk= 783, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 886, 887,
 &end
#
#   59 CYS  HN           58 ASP  HB+         3.50    (#    784:20  Unique         2.54, 3.77 A)
 &rst
  ixpk= 784, nxpk= 20, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 886, 887,
 &end
#
#   59 CYS  HN           58 ASP  HB-         3.50    (#    785:20  Unique         2.54, 3.77 A)
 &rst
  ixpk= 785, nxpk= 20, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 886, 887,
 &end
#
#   58 ASP  HN           57 HIS  HB+         5.50    (#    788:20  Unique         1.96, 3.15 A)
 &rst
  ixpk= 788, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#   58 ASP  HN           57 HIS  HB-         4.50    (#    789:20  Unique         1.96, 3.15 A)
 &rst
  ixpk= 789, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 869, 870,
 &end
#
#   57 HIS  HN           57 HIS  HB+         2.80    (#    790:20  Unique         2.19, 3.15 A)
 &rst
  ixpk= 790, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 869, 870,
 &end
#
#   57 HIS  HN           57 HIS  HB-         3.50    (#    791:20  Unique         2.19, 3.15 A)
 &rst
  ixpk= 791, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 869, 870,
 &end
#
#   57 HIS  HD2          57 HIS  HB+         5.50    (#    792:20  Unique         2.69, 3.37 A)
 &rst
  ixpk= 792, nxpk= 20, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#   57 HIS  HD2          57 HIS  HB-         5.50    (#    793:20  Unique         2.69, 3.37 A)
 &rst
  ixpk= 793, nxpk= 20, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#   54 ILE  HB           57 HIS  HB+         4.50    (#    796:20  Unique         2.61, 4.58 A)
 &rst
  ixpk= 796, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 869, 870,
 &end
#
#   54 ILE  HB           57 HIS  HB-         5.50    (#    797:20  Unique         2.61, 4.58 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#   14 MET  ME           57 HIS  HB+         5.50    (#    798:20  Unique         2.16, 5.14 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 232, 233,
 igr2= 869, 870,
 &end
#
#   14 MET  ME           57 HIS  HB-         5.50    (#    799:20  Unique         2.16, 5.14 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 232, 233,
 igr2= 869, 870,
 &end
#
#   79 VAL  MGY          57 HIS  HB+         2.80    (#    800:20  Unique         2.99, 5.62 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2= 869, 870,
 &end
#
#   79 VAL  MGY          57 HIS  HB-         2.80    (#    801:20  Unique         2.99, 5.62 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2= 869, 870,
 &end
#
#   56 ASN  HN           56 ASN  HB+         5.50    (#    802:20  Unique         2.38, 3.24 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 855, 856,
 &end
#
#   56 ASN  HN           56 ASN  HB-         4.50    (#    803:20  Unique         2.38, 3.24 A)
 &rst
  ixpk= 803, nxpk= 20, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 855, 856,
 &end
#
#   56 ASN  HD2+         56 ASN  HB-         5.50    (#    804:20  Unique         2.11, 3.24 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 860, 861,
 igr2= 855, 856,
 &end
#
#   55 GLY  HN           55 GLY  HA+         2.80    (#    807:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 807, nxpk= 20, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 846, 847,
 &end
#
#   55 GLY  HN           55 GLY  HA-         2.80    (#    808:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 808, nxpk= 20, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 846, 847,
 &end
#
#   57 HIS  HN           55 GLY  HA+         4.50    (#    809:20  Unique         3.70, 4.32 A)
 &rst
  ixpk= 809, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 846, 847,
 &end
#
#   57 HIS  HN           55 GLY  HA-         5.50    (#    810:20  Unique         3.70, 4.32 A)
 &rst
  ixpk= 810, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 846, 847,
 &end
#
#    0 AMB  20-2:811      0 AMB  20-1:811    5.50    (#    811:20  Double Ambig)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 878, 295, 299,
 igr2= 846, 847, 846, 847,
 &end
#
#   54 ILE  QG2          55 GLY  HA-         5.50    (#    814:20  Unique         3.21, 4.90 A)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 831, 832, 833,
 igr2= 846, 847,
 &end
#
#   55 GLY  HN           54 ILE  HA          2.80    (#    815:20  Unique         2.20, 3.30 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 844, 827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 ILE  HN           54 ILE  HA          4.50    (#    816:20  Unique         2.76, 2.90 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 825, 827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ILE  HG1-         54 ILE  HA          3.50    (#    817:20  Unique         2.27, 2.78 A)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
#   54 ILE  HB           54 ILE  HA          3.50    (#    818:20  Unique         2.43, 2.72 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 829, 827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ILE  HG1+         54 ILE  HA          3.50    (#    819:20  Unique         2.27, 2.78 A)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
#    0 AMB  20-2:820     54 ILE  HA          4.50    (#    820:20  Single Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 838, 839, 840,1225,1226,1227,1229,1230,1231,
 &end
#
#   54 ILE  QG2          54 ILE  HA          2.80    (#    821:20  Unique         2.32, 3.54 A)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 831, 832, 833,
 &end
#
#   74 ILE  HN           74 ILE  HB          3.50    (#    822:20  Unique         2.61, 2.74 A)
 &rst
  ixpk= 822, nxpk= 20, iat=1131,1135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:823     74 ILE  HB          3.50    (#    823:20  Single Ambig)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1133,1114,
 &end
#
#   64 VAL  HB           74 ILE  HB          3.50    (#    824:20  Unique         2.15, 2.58 A)
 &rst
  ixpk= 824, nxpk= 20, iat= 981,1135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 ILE  HG1-         74 ILE  HB          2.80    (#    825:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1141,1142,
 &end
#
#   74 ILE  HG1+         74 ILE  HB          2.80    (#    826:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1141,1142,
 &end
#
#    0 AMB  20-2:827     74 ILE  HB          2.80    (#    827:20  Single Ambig)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139, 983, 984, 985, 987, 988, 989,
 &end
#
#   74 ILE  QD1          74 ILE  HB          3.50    (#    828:20  Unique         3.57, 3.92 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1144,1145,1146,
 &end
#
#   54 ILE  HN           54 ILE  HG1-        5.50    (#    829:20  Unique         2.04, 3.85 A)
 &rst
  ixpk= 829, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 835, 836,
 &end
#
#   54 ILE  HN           54 ILE  HG1+        5.50    (#    830:20  Unique         2.04, 3.85 A)
 &rst
  ixpk= 830, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 835, 836,
 &end
#
#   52 PHE  HD           54 ILE  HG1-        5.50    (#    831:20  Preassigned    3.93, 7.76 A)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 802, 810,
 igr2= 835, 836,
 &end
#
#   52 PHE  HE           54 ILE  HG1+        5.50    (#    832:20  Preassigned    3.30, 7.71 A)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 804, 808,
 igr2= 835, 836,
 &end
#
#   54 ILE  HA           54 ILE  HG1-        3.50    (#    833:20  Unique         2.27, 2.78 A)
 &rst
  ixpk= 833, nxpk= 20, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836,
 &end
#
#   54 ILE  HA           54 ILE  HG1+        3.50    (#    834:20  Unique         2.27, 2.78 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836,
 &end
#
#   54 ILE  HB           54 ILE  HG1-        2.80    (#    835:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 835, 836,
 &end
#
#   54 ILE  QD1          54 ILE  HG1-        2.80    (#    837:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 838, 839, 840,
 igr2= 835, 836,
 &end
#
#   54 ILE  QD1          54 ILE  HG1+        2.80    (#    838:20  Preassigned    2.20, 2.62 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 838, 839, 840,
 igr2= 835, 836,
 &end
#
#   54 ILE  QG2          54 ILE  HG1-        3.50    (#    839:20  Unique         2.08, 3.45 A)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 831, 832, 833,
 igr2= 835, 836,
 &end
#
#   54 ILE  QG2          54 ILE  HG1+        3.50    (#    840:20  Unique         2.08, 3.45 A)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 831, 832, 833,
 igr2= 835, 836,
 &end
#
#   54 ILE  HN           54 ILE  QD1         5.50    (#    841:20  Unique         3.90, 5.11 A)
 &rst
  ixpk= 841, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 838, 839, 840,
 &end
#
#   19 PHE  HD           54 ILE  QD1         4.50    (#    842:20  Unique         2.57, 6.49 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 293, 301,
 igr2= 838, 839, 840,
 &end
#
#   52 PHE  HE           54 ILE  QD1         5.50    (#    843:20  Unique         3.61, 8.30 A)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 808,
 igr2= 838, 839, 840,
 &end
#
#   54 ILE  HA           54 ILE  QD1         4.50    (#    844:20  Unique         3.91, 4.51 A)
 &rst
  ixpk= 844, nxpk= 20, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 838, 839, 840,
 &end
#
#    0 AMB  20-2:845     54 ILE  QD1         4.50    (#    845:20  Single Ambig)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 289, 290, 515, 516,
 igr2= 838, 839, 840,
 &end
#
#   32 CYS  HB-          54 ILE  QD1         5.50    (#    846:20  Unique         3.56, 6.05 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 515, 516,
 igr2= 838, 839, 840,
 &end
#
#   54 ILE  HG1-         54 ILE  QD1         2.80    (#    847:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 835, 836,
 igr2= 838, 839, 840,
 &end
#
#   54 ILE  HB           54 ILE  QD1         2.80    (#    848:20  Unique         2.15, 3.06 A)
 &rst
  ixpk= 848, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 838, 839, 840,
 &end
#
#   54 ILE  HG1+         54 ILE  QD1         2.80    (#    849:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 835, 836,
 igr2= 838, 839, 840,
 &end
#
#    0 AMB  20-2:850     54 ILE  QD1         3.50    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 231, 232, 233, 898, 899,
 igr2= 838, 839, 840,
 &end
#
#   54 ILE  QG2          54 ILE  QD1         2.80    (#    851:20  Unique         2.01, 3.76 A)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 831, 832, 833,
 igr2= 838, 839, 840,
 &end
#
#   55 GLY  HN           54 ILE  QG2         4.50    (#    852:20  Unique         2.05, 3.56 A)
 &rst
  ixpk= 852, nxpk= 20, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 831, 832, 833,
 &end
#
#   54 ILE  HN           54 ILE  QG2         5.50    (#    853:20  Unique         1.96, 3.69 A)
 &rst
  ixpk= 853, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 831, 832, 833,
 &end
#
#    0 AMB  20-2:854     54 ILE  QG2         3.50    (#    854:20  Single Ambig)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 295, 299, 878,
 igr2= 831, 832, 833,
 &end
#
#   19 PHE  HD           54 ILE  QG2         3.50    (#    855:20  Unique         2.57, 7.15 A)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 293, 301,
 igr2= 831, 832, 833,
 &end
#
#   52 PHE  HE           54 ILE  QG2         5.50    (#    856:20  Preassigned    5.67, 8.74 A)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 808,
 igr2= 831, 832, 833,
 &end
#
#   54 ILE  HA           54 ILE  QG2         2.80    (#    857:20  Unique         2.32, 3.54 A)
 &rst
  ixpk= 857, nxpk= 20, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 831, 832, 833,
 &end
#
#   55 GLY  HA-          54 ILE  QG2         4.50    (#    858:20  Preassigned    3.21, 4.90 A)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 846, 847,
 igr2= 831, 832, 833,
 &end
#
#   57 HIS  HB+          54 ILE  QG2         4.50    (#    859:20  Unique         2.00, 4.65 A)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 869, 870,
 igr2= 831, 832, 833,
 &end
#
#    0 AMB  20-2:860     54 ILE  QG2         5.50    (#    860:20  Single Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 289, 290,1239,1240,
 igr2= 831, 832, 833,
 &end
#
#   14 MET  HG+          54 ILE  QG2         5.50    (#    861:20  Unique         2.60, 5.88 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228,
 igr2= 831, 832, 833,
 &end
#
#   54 ILE  HG1-         54 ILE  QG2         2.80    (#    862:20  Unique         2.08, 3.45 A)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 835, 836,
 igr2= 831, 832, 833,
 &end
#
#   14 MET  ME           54 ILE  QG2         4.50    (#    863:20  Unique         2.00, 4.00 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 231, 232, 233,
 igr2= 831, 832, 833,
 &end
#
#    0 AMB  20-2:864     54 ILE  QG2         2.80    (#    864:20  Single Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 829, 339, 340,
 igr2= 831, 832, 833,
 &end
#
#   54 ILE  HG1+         54 ILE  QG2         2.80    (#    865:20  Unique         2.08, 3.45 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 835, 836,
 igr2= 831, 832, 833,
 &end
#
#    0 AMB  20-2:866     54 ILE  QG2         4.50    (#    866:20  Single Ambig)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 342, 343, 344, 193, 194, 195, 197, 198, 199, 596,
       597, 598, 600, 601, 602,
 igr2= 831, 832, 833,
 &end
#
#    0 AMB  20-2:867     54 ILE  QG2         2.80    (#    867:20  Single Ambig)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 838, 839, 840,1225,1226,1227,1229,1230,1231,
 igr2= 831, 832, 833,
 &end
#
#    0 AMB  20-2:868     53 SER  HA          3.50    (#    868:20  Single Ambig)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 814, 844,
 &end
#
#   59 CYS  HN           53 SER  HA          3.50    (#    869:20  Unique         2.07, 2.93 A)
 &rst
  ixpk= 869, nxpk= 20, iat= 894, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ILE  HN           53 SER  HA          2.80    (#    870:20  Unique         2.17, 2.36 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 825, 816, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 SER  HB+          53 SER  HA          2.80    (#    872:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 818, 819,
 &end
#
#   53 SER  HB-          53 SER  HA          2.80    (#    873:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 818, 819,
 &end
#
#   59 CYS  HG           53 SER  HA          2.80    (#    874:20  Unique         2.10, 3.68 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 901, 816, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 ILE  HB           53 SER  HA          4.50    (#    875:20  Preassigned    4.35, 4.58 A)
 &rst
  ixpk= 875, nxpk= 20, iat= 829, 816, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 SER  HN           53 SER  HB+         3.50    (#    876:20  Preassigned    2.84, 3.64 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 818, 819,
 &end
#
#   53 SER  HN           53 SER  HB-         3.50    (#    877:20  Preassigned    2.84, 3.64 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 818, 819,
 &end
#
#   54 ILE  HN           53 SER  HB+         2.80    (#    878:20  Unique         2.13, 3.12 A)
 &rst
  ixpk= 878, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 818, 819,
 &end
#
#   54 ILE  HN           53 SER  HB-         2.80    (#    879:20  Unique         2.13, 3.12 A)
 &rst
  ixpk= 879, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 818, 819,
 &end
#
#   53 SER  HA           53 SER  HB+         2.80    (#    880:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 880, nxpk= 20, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 818, 819,
 &end
#
#   53 SER  HA           53 SER  HB-         2.80    (#    881:20  Unique         2.26, 2.52 A)
 &rst
  ixpk= 881, nxpk= 20, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 818, 819,
 &end
#
#   53 SER  HN           52 PHE  HB+         3.50    (#    884:20  Unique         2.07, 3.03 A)
 &rst
  ixpk= 884, nxpk= 20, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 798, 799,
 &end
#
#   53 SER  HN           52 PHE  HB-         3.50    (#    885:20  Unique         2.07, 3.03 A)
 &rst
  ixpk= 885, nxpk= 20, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 798, 799,
 &end
#
#   52 PHE  HD           52 PHE  HB+         2.80    (#    886:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 802, 810,
 igr2= 798, 799,
 &end
#
#   52 PHE  HD           52 PHE  HB-         2.80    (#    887:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 802, 810,
 igr2= 798, 799,
 &end
#
#   39 THR  HA           52 PHE  HB+         5.50    (#    888:20  Unique         2.21, 3.75 A)
 &rst
  ixpk= 888, nxpk= 20, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 798, 799,
 &end
#
#   39 THR  HA           52 PHE  HB-         5.50    (#    889:20  Unique         2.21, 3.75 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 798, 799,
 &end
#
#   52 PHE  HA           52 PHE  HB+         2.80    (#    890:20  Unique         2.38, 2.51 A)
 &rst
  ixpk= 890, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 798, 799,
 &end
#
#   52 PHE  HA           52 PHE  HB-         2.80    (#    891:20  Unique         2.38, 2.51 A)
 &rst
  ixpk= 891, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 798, 799,
 &end
#
#   39 THR  MG2          52 PHE  HB+         3.50    (#    892:20  Unique         2.12, 3.88 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 627, 628, 629,
 igr2= 798, 799,
 &end
#
#   39 THR  MG2          52 PHE  HB-         3.50    (#    893:20  Unique         2.12, 3.88 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 627, 628, 629,
 igr2= 798, 799,
 &end
#
#    0 AMB  20-2:894      0 AMB  20-1:894    5.50    (#    894:20  Double Ambig)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 591, 592, 591, 592, 769, 770, 771,
 igr2= 798, 799, 798, 799, 798, 799,
 &end
#
#    0 AMB  20-2:895     52 PHE  HB-         5.50    (#    895:20  Single Ambig)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 769, 770, 771, 475,
 igr2= 798, 799,
 &end
#
#   37 LEU  MDY          52 PHE  HB-         5.50    (#    896:20  Unique         2.23, 6.14 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 798, 799,
 &end
#
#   37 LEU  MDY          52 PHE  HB+         5.50    (#    897:20  Unique         2.23, 6.14 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 798, 799,
 &end
#
#   51 HIS  HN           51 HIS  HA          5.50    (#    898:20  Unique         2.91, 2.94 A)
 &rst
  ixpk= 898, nxpk= 20, iat= 777, 779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HN           51 HIS  HA          2.80    (#    899:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 899, nxpk= 20, iat= 794, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:900     51 HIS  HA          4.50    (#    900:20  Single Ambig)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 796, 647, 648,
 &end
#
#   51 HIS  HB-          51 HIS  HA          3.50    (#    901:20  Unique         2.40, 2.79 A)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 781, 782,
 &end
#
#   51 HIS  HB+          51 HIS  HA          3.50    (#    902:20  Unique         2.40, 2.79 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 781, 782,
 &end
#
#   51 HIS  HN           51 HIS  HB+         2.80    (#    903:20  Unique         2.18, 2.77 A)
 &rst
  ixpk= 903, nxpk= 20, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 781, 782,
 &end
#
#   51 HIS  HN           51 HIS  HB-         2.80    (#    904:20  Unique         2.18, 2.77 A)
 &rst
  ixpk= 904, nxpk= 20, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 781, 782,
 &end
#
#   40 ALA  HN           51 HIS  HB-         5.50    (#    905:20  Unique         2.06, 3.57 A)
 &rst
  ixpk= 905, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 781, 782,
 &end
#
#   52 PHE  HN           51 HIS  HB+         4.50    (#    906:20  Unique         3.81, 4.32 A)
 &rst
  ixpk= 906, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 781, 782,
 &end
#
#   52 PHE  HN           51 HIS  HB-         3.50    (#    907:20  Unique         3.81, 4.32 A)
 &rst
  ixpk= 907, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 781, 782,
 &end
#
#   51 HIS  HA           51 HIS  HB+         2.80    (#    908:20  Unique         2.40, 2.79 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 781, 782,
 &end
#
#   51 HIS  HA           51 HIS  HB-         3.50    (#    909:20  Unique         2.40, 2.79 A)
 &rst
  ixpk= 909, nxpk= 20, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 781, 782,
 &end
#
#   40 ALA  MB           51 HIS  HB+         3.50    (#    912:20  Unique         2.01, 3.49 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 639, 640, 641,
 igr2= 781, 782,
 &end
#
#   40 ALA  MB           51 HIS  HB-         3.50    (#    913:20  Unique         2.01, 3.49 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 639, 640, 641,
 igr2= 781, 782,
 &end
#
#   50 THR  HN           50 THR  HB          2.80    (#    914:20  Unique         2.49, 2.69 A)
 &rst
  ixpk= 914, nxpk= 20, iat= 763, 767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ILE  HN           50 THR  HB          3.50    (#    915:20  Unique         1.95, 3.07 A)
 &rst
  ixpk= 915, nxpk= 20, iat= 926, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ILE  HA           50 THR  HB          5.50    (#    916:20  Unique         4.22, 4.73 A)
 &rst
  ixpk= 916, nxpk= 20, iat= 928, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 MET  ME           50 THR  HB          5.50    (#    918:20  Unique         4.31, 5.46 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 453, 454, 455,
 &end
#
#   61 ILE  HB           50 THR  HB          3.50    (#    919:20  Unique         2.00, 2.51 A)
 &rst
  ixpk= 919, nxpk= 20, iat= 930, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 THR  MG2          50 THR  HB          2.80    (#    920:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 769, 770, 771,
 &end
#
#   61 ILE  QG2          50 THR  HB          4.50    (#    921:20  Unique         3.91, 4.81 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 932, 933, 934,
 &end
#
#    0 AMB  20-2:922     50 THR  HB          4.50    (#    922:20  Single Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 939, 940, 941, 936, 937,
 &end
#
#   51 HIS  HN           50 THR  MG2         3.50    (#    923:20  Unique         1.95, 3.22 A)
 &rst
  ixpk= 923, nxpk= 20, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 769, 770, 771,
 &end
#
#   50 THR  HN           50 THR  MG2         4.50    (#    924:20  Unique         4.40, 4.64 A)
 &rst
  ixpk= 924, nxpk= 20, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 769, 770, 771,
 &end
#
#    0 AMB  20-2:925     50 THR  MG2         3.50    (#    925:20  Single Ambig)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 635, 471,
 igr2= 769, 770, 771,
 &end
#
#    0 AMB  20-2:926     50 THR  MG2         3.50    (#    926:20  Single Ambig)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 794, 926,
 igr2= 769, 770, 771,
 &end
#
#   52 PHE  HD           50 THR  MG2         4.50    (#    927:20  Unique         2.04, 5.08 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 802, 810,
 igr2= 769, 770, 771,
 &end
#
#   39 THR  HA           50 THR  MG2         4.50    (#    928:20  Unique         2.97, 4.30 A)
 &rst
  ixpk= 928, nxpk= 20, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 769, 770, 771,
 &end
#
#    0 AMB  20-2:929     50 THR  MG2         4.50    (#    929:20  Single Ambig)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 779, 928,
 igr2= 769, 770, 771,
 &end
#
#   39 THR  HB           50 THR  MG2         3.50    (#    931:20  Unique         2.00, 3.05 A)
 &rst
  ixpk= 931, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 769, 770, 771,
 &end
#
#   50 THR  HB           50 THR  MG2         2.80    (#    932:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 769, 770, 771,
 &end
#
#    0 AMB  20-2:933     50 THR  MG2         4.50    (#    933:20  Single Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 798, 799, 781, 782,
 igr2= 769, 770, 771,
 &end
#
#   28 MET  ME           50 THR  MG2         4.50    (#    934:20  Unique         3.05, 5.12 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 453, 454, 455,
 igr2= 769, 770, 771,
 &end
#
#   30 VAL  MGY          50 THR  MG2         3.50    (#    935:20  Unique         2.70, 6.09 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 769, 770, 771,
 &end
#
#   50 THR  HN           49 GLU  HA          2.80    (#    936:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 936, nxpk= 20, iat= 763, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 GLU  HN           49 GLU  HA          2.80    (#    937:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 748, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 TYR  HD           49 GLU  HA          4.50    (#    938:20  Unique         3.71, 6.51 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 913, 922,
 &end
#
#   49 GLU  HG+          49 GLU  HA          2.80    (#    939:20  Unique         2.35, 3.04 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 755, 756,
 &end
#
#   49 GLU  HG-          49 GLU  HA          3.50    (#    940:20  Unique         2.35, 3.04 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 755, 756,
 &end
#
#   49 GLU  HB+          49 GLU  HA          2.80    (#    941:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 752, 753,
 &end
#
#   49 GLU  HB-          49 GLU  HA          3.50    (#    942:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 752, 753,
 &end
#
#   49 GLU  HN           49 GLU  HB+         2.80    (#    943:20  Preassigned    2.51, 3.27 A)
 &rst
  ixpk= 943, nxpk= 20, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 752, 753,
 &end
#
#   49 GLU  HN           49 GLU  HB-         3.50    (#    944:20  Preassigned    2.51, 3.27 A)
 &rst
  ixpk= 944, nxpk= 20, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 752, 753,
 &end
#
#   51 HIS  HD2          49 GLU  HB+         5.50    (#    945:20  Preassigned    5.68, 7.69 A)
 &rst
  ixpk= 945, nxpk= 20, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 752, 753,
 &end
#
#   51 HIS  HD2          49 GLU  HB-         4.50    (#    946:20  Preassigned    5.68, 7.69 A)
 &rst
  ixpk= 946, nxpk= 20, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 752, 753,
 &end
#
#   60 TYR  HD           49 GLU  HB+         5.50    (#    947:20  Unique         2.07, 6.40 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 913, 922,
 igr2= 752, 753,
 &end
#
#   60 TYR  HD           49 GLU  HB-         4.50    (#    948:20  Unique         2.07, 6.40 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 913, 922,
 igr2= 752, 753,
 &end
#
#   49 GLU  HA           49 GLU  HB+         2.80    (#    949:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 752, 753,
 &end
#
#   49 GLU  HA           49 GLU  HB-         2.80    (#    950:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 752, 753,
 &end
#
#   49 GLU  HG+          49 GLU  HB+         2.80    (#    953:20  Unique         2.27, 2.68 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 755, 756,
 igr2= 752, 753,
 &end
#
#   49 GLU  HG+          49 GLU  HB-         2.80    (#    954:20  Unique         2.27, 2.68 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 755, 756,
 igr2= 752, 753,
 &end
#
#   49 GLU  HN           49 GLU  HG+         3.50    (#    955:20  Unique         2.59, 3.48 A)
 &rst
  ixpk= 955, nxpk= 20, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 755, 756,
 &end
#
#   49 GLU  HN           49 GLU  HG-         3.50    (#    956:20  Unique         2.59, 3.48 A)
 &rst
  ixpk= 956, nxpk= 20, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 755, 756,
 &end
#
#    0 AMB  20-2:957     49 GLU  HG-         4.50    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 922, 787,
 igr2= 755, 756,
 &end
#
#   60 TYR  HE           49 GLU  HG+         5.50    (#    958:20  Unique         2.25, 7.88 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 915, 920,
 igr2= 755, 756,
 &end
#
#   60 TYR  HE           49 GLU  HG-         3.50    (#    959:20  Unique         2.25, 7.88 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 915, 920,
 igr2= 755, 756,
 &end
#
#   49 GLU  HA           49 GLU  HG+         2.80    (#    960:20  Unique         2.35, 3.04 A)
 &rst
  ixpk= 960, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 755, 756,
 &end
#
#   62 LYS  HA           49 GLU  HG+         3.50    (#    961:20  Unique         2.00, 4.31 A)
 &rst
  ixpk= 961, nxpk= 20, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 755, 756,
 &end
#
#   49 GLU  HA           49 GLU  HG-         2.80    (#    962:20  Unique         2.35, 3.04 A)
 &rst
  ixpk= 962, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 755, 756,
 &end
#
#    0 AMB  20-2:963      0 AMB  20-1:963    2.80    (#    963:20  Double Ambig)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1122,1123, 752, 753,
 igr2=1097,1098,1097,1098, 755, 756,
 &end
#
#   49 GLU  HB-          49 GLU  HG-         2.80    (#    964:20  Unique         2.27, 2.68 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 752, 753,
 igr2= 755, 756,
 &end
#
#   49 GLU  HN           48 THR  HA          2.80    (#    965:20  Preassigned    2.14, 2.15 A)
 &rst
  ixpk= 965, nxpk= 20, iat= 748, 736, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 THR  MG2          48 THR  HA          5.50    (#    967:20  Unique         2.05, 2.85 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 740, 741, 742,
 &end
#
#   49 GLU  HN           48 THR  HB          3.50    (#    968:20  Preassigned    3.51, 3.83 A)
 &rst
  ixpk= 968, nxpk= 20, iat= 748, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 THR  HN           48 THR  HB          3.50    (#    969:20  Unique         2.85, 3.05 A)
 &rst
  ixpk= 969, nxpk= 20, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 THR  HA           48 THR  HB          3.50    (#    970:20  Unique         2.76, 2.92 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ALA  MB           48 THR  HB          3.50    (#    972:20  Unique         2.11, 3.95 A)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 971, 972, 973,
 &end
#
#   48 THR  MG2          48 THR  HB          2.80    (#    973:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 740, 741, 742,
 &end
#
#    0 AMB  20-2:974     48 THR  MG2         3.50    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 667, 748,
 igr2= 740, 741, 742,
 &end
#
#   48 THR  HN           48 THR  MG2         4.50    (#    975:20  Preassigned    3.70, 4.44 A)
 &rst
  ixpk= 975, nxpk= 20, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 740, 741, 742,
 &end
#
#   43 PHE  HD           48 THR  MG2         2.80    (#    976:20  Unique         2.26, 6.19 A)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 675, 683,
 igr2= 740, 741, 742,
 &end
#
#   48 THR  HA           48 THR  MG2         2.80    (#    977:20  Unique         2.05, 2.85 A)
 &rst
  ixpk= 977, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 740, 741, 742,
 &end
#
#   48 THR  HB           48 THR  MG2         2.80    (#    979:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 979, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 740, 741, 742,
 &end
#
#   48 THR  HN           47 GLY  HA-         2.80    (#    981:20  Unique         2.15, 2.59 A)
 &rst
  ixpk= 981, nxpk= 20, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 729, 730,
 &end
#
#   47 GLY  HN           47 GLY  HA-         2.80    (#    982:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 982, nxpk= 20, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 729, 730,
 &end
#
#   46 ASP  HN           46 ASP  HA          3.50    (#    983:20  Unique         2.82, 2.88 A)
 &rst
  ixpk= 983, nxpk= 20, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ASP  HB+          46 ASP  HA          2.80    (#    984:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 719, 720,
 &end
#
#   46 ASP  HB-          46 ASP  HA          2.80    (#    985:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 719, 720,
 &end
#
#   46 ASP  HN           46 ASP  HB+         3.50    (#    986:20  Unique         2.27, 2.81 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 719, 720,
 &end
#
#   46 ASP  HN           46 ASP  HB-         2.80    (#    987:20  Preassigned    2.27, 2.81 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 719, 720,
 &end
#
#   45 ASP  HN            0 AMB  20-1:988    3.50    (#    988:20  Single Ambig)
 &rst
  ixpk= 988, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 707, 708, 707, 708,
 &end
#
#   46 ASP  HA           46 ASP  HB+         2.80    (#    989:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 989, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 719, 720,
 &end
#
#   46 ASP  HA           46 ASP  HB-         2.80    (#    990:20  Preassigned    2.37, 2.77 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 719, 720,
 &end
#
#   64 VAL  MGY          46 ASP  HB+         5.50    (#    991:20  Unique         6.37,10.92 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 983, 984, 985, 987, 988, 989,
 igr2= 719, 720,
 &end
#
#   64 VAL  MGY          46 ASP  HB-         5.50    (#    992:20  Preassigned    6.37,10.92 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 983, 984, 985, 987, 988, 989,
 igr2= 719, 720,
 &end
#
#   45 ASP  HN           45 ASP  HA          2.80    (#    993:20  Unique         2.76, 2.81 A)
 &rst
  ixpk= 993, nxpk= 20, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 ASP  HN           45 ASP  HA          2.80    (#    994:20  Unique         3.43, 3.47 A)
 &rst
  ixpk= 994, nxpk= 20, iat= 715, 705, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   73 ILE  HN           71 GLU  HA          5.50    (#    995:20  Unique         3.15, 4.07 A)
 &rst
  ixpk= 995, nxpk= 20, iat=1112,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:996     45 ASP  HA          2.80    (#    996:20  Single Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 707, 708, 707, 708,
 &end
#
#    0 AMB  20-2:997     45 ASP  HA          2.80    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 707, 708, 707, 708,
 &end
#
#   45 ASP  HN            0 AMB  20-1:998    3.50    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 707, 708, 707, 708,
 &end
#
#   46 ASP  HN            0 AMB  20-1:999    2.80    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 719, 720, 707, 708, 707, 708,
 &end
#
#   47 GLY  HN           46 ASP  HB-         5.50    (#   1000:20  Unique         1.97, 3.57 A)
 &rst
  ixpk= 1000, nxpk= 20, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 719, 720,
 &end
#
#   45 ASP  HA            0 AMB  20-1:1001   2.80    (#   1001:20  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 707, 708, 707, 708,
 &end
#
#   44 VAL  MGY          46 ASP  HB-         5.50    (#   1002:20  Unique         2.07, 5.05 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 693, 694, 695, 697, 698, 699,
 igr2= 719, 720,
 &end
#
#   45 ASP  HN           44 VAL  HA          3.50    (#   1003:20  Unique         2.38, 2.54 A)
 &rst
  ixpk= 1003, nxpk= 20, iat= 703, 689, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 PHE  HB-          44 VAL  HA          4.50    (#   1005:20  Unique         4.20, 5.10 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 671, 672,
 &end
#
#   44 VAL  HB           44 VAL  HA          2.80    (#   1006:20  Unique         2.44, 2.50 A)
 &rst
  ixpk= 1006, nxpk= 20, iat= 691, 689, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 VAL  MGY          44 VAL  HA          2.80    (#   1007:20  Unique         2.20, 3.45 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  MGX          44 VAL  HA          2.80    (#   1008:20  Unique         2.20, 3.45 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   45 ASP  HN           44 VAL  HB          2.80    (#   1009:20  Unique         1.95, 2.10 A)
 &rst
  ixpk= 1009, nxpk= 20, iat= 703, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 VAL  HN           44 VAL  HB          3.50    (#   1010:20  Unique         3.60, 3.77 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 687, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 VAL  HA           44 VAL  HB          2.80    (#   1012:20  Unique         2.44, 2.50 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 689, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 ASP  HA           44 VAL  HB          5.50    (#   1013:20  Unique         4.52, 4.61 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 705, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  MGX          44 VAL  HB          2.80    (#   1014:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  MGY          44 VAL  HB          2.80    (#   1015:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   49 GLU  HN           44 VAL  MGX         4.50    (#   1016:20  Unique         2.63, 5.10 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   45 ASP  HN           44 VAL  MGX         4.50    (#   1017:20  Unique         3.06, 4.19 A)
 &rst
  ixpk= 1017, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   46 ASP  HN           44 VAL  MGX         3.50    (#   1018:20  Unique         1.94, 4.07 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  HN           44 VAL  MGX         3.50    (#   1019:20  Unique         1.95, 3.37 A)
 &rst
  ixpk= 1019, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   47 GLY  HN           44 VAL  MGX         3.50    (#   1020:20  Unique         1.95, 4.51 A)
 &rst
  ixpk= 1020, nxpk= 20, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   48 THR  HA           44 VAL  MGX         4.50    (#   1021:20  Unique         3.15, 5.63 A)
 &rst
  ixpk= 1021, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#    0 AMB  20-2:1023    44 VAL  MGX         4.50    (#   1023:20  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 729, 730, 717,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  HA           44 VAL  MGX         2.80    (#   1024:20  Unique         2.20, 3.45 A)
 &rst
  ixpk= 1024, nxpk= 20, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   62 LYS  HE-          44 VAL  MGX         5.50    (#   1025:20  Unique         8.33,12.41 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 958, 959,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   46 ASP  HB-          44 VAL  MGX         5.50    (#   1026:20  Unique         2.07, 5.05 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 719, 720,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  HB           44 VAL  MGX         2.80    (#   1027:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1027, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   49 GLU  HG+          44 VAL  MGX         4.50    (#   1028:20  Unique         2.00, 4.57 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 755, 756,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#    0 AMB  20-2:1029    44 VAL  MGX         3.50    (#   1029:20  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 755, 756, 656, 657,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   42 GLU  HB-          44 VAL  MGX         5.50    (#   1030:20  Unique         3.00, 6.26 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 656, 657,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  HN           44 VAL  MGY         2.80    (#   1031:20  Unique         1.95, 3.37 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  HA           44 VAL  MGY         2.80    (#   1032:20  Unique         2.20, 3.45 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   46 ASP  HB-          44 VAL  MGY         5.50    (#   1033:20  Unique         2.07, 5.05 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 719, 720,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  HB           44 VAL  MGY         2.80    (#   1034:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1034, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#    0 AMB  20-2:1035    44 VAL  MGY         3.50    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 752, 753, 656, 657,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   43 PHE  HN           43 PHE  HB+         3.50    (#   1036:20  Unique         2.54, 3.37 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 671, 672,
 &end
#
#   43 PHE  HN           43 PHE  HB-         2.80    (#   1037:20  Unique         2.54, 3.37 A)
 &rst
  ixpk= 1037, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 671, 672,
 &end
#
#   44 VAL  HN           43 PHE  HB-         5.50    (#   1038:20  Unique         3.03, 4.15 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 672,
 &end
#
#   44 VAL  HN           43 PHE  HB+         5.50    (#   1039:20  Unique         3.03, 4.15 A)
 &rst
  ixpk= 1039, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 672,
 &end
#
#   43 PHE  HD           43 PHE  HB+         3.50    (#   1040:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 683,
 igr2= 671, 672,
 &end
#
#   43 PHE  HD           43 PHE  HB-         2.80    (#   1041:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 675, 683,
 igr2= 671, 672,
 &end
#
#   43 PHE  HA           43 PHE  HB+         2.80    (#   1042:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 1042, nxpk= 20, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 671, 672,
 &end
#
#   43 PHE  HA           43 PHE  HB-         2.80    (#   1043:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 1043, nxpk= 20, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 671, 672,
 &end
#
#    0 AMB  20-2:1044    42 GLU  HA          2.80    (#   1044:20  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 667, 748,
 &end
#
#   42 GLU  HN           42 GLU  HA          3.50    (#   1045:20  Unique         2.77, 2.91 A)
 &rst
  ixpk= 1045, nxpk= 20, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1046    42 GLU  HA          2.80    (#   1046:20  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 659, 660, 659, 660,
 &end
#
#   42 GLU  HB+          42 GLU  HA          2.80    (#   1047:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 656, 657,
 &end
#
#   42 GLU  HB-          42 GLU  HA          2.80    (#   1048:20  Preassigned    2.34, 2.67 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 656, 657,
 &end
#
#   42 GLU  HN           42 GLU  HB+         3.50    (#   1049:20  Unique         2.21, 3.16 A)
 &rst
  ixpk= 1049, nxpk= 20, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 656, 657,
 &end
#
#   42 GLU  HA           42 GLU  HB+         2.80    (#   1050:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 656, 657,
 &end
#
#   82 ARG  HA            0 AMB  20-1:1051   2.80    (#   1051:20  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1265,1266,1265,1266,
 &end
#
#   44 VAL  MGY          42 GLU  HB+         3.50    (#   1052:20  Unique         3.00, 6.26 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 693, 694, 695, 697, 698, 699,
 igr2= 656, 657,
 &end
#
#    0 AMB  20-2:1053     0 AMB  20-1:1053   3.50    (#   1053:20  Double Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 667, 748,
 igr2= 659, 660, 659, 660, 659, 660,
 &end
#
#   42 GLU  HN            0 AMB  20-1:1054   3.50    (#   1054:20  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 20, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 659, 660, 659, 660,
 &end
#
#   51 HIS  HD2          42 GLU  HG-         3.50    (#   1055:20  Preassigned    5.81, 9.12 A)
 &rst
  ixpk= 1055, nxpk= 20, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 659, 660,
 &end
#
#   42 GLU  HA            0 AMB  20-1:1056   2.80    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 659, 660, 659, 660,
 &end
#
#   42 GLU  HB-           0 AMB  20-1:1057   2.80    (#   1057:20  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 656, 657,
 igr2= 659, 660, 659, 660,
 &end
#
#   44 VAL  MGY          42 GLU  HG-         5.50    (#   1058:20  Preassigned    4.90, 7.61 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 693, 694, 695, 697, 698, 699,
 igr2= 659, 660,
 &end
#
#   51 HIS  HN           40 ALA  MB          3.50    (#   1059:20  Unique         2.22, 4.28 A)
 &rst
  ixpk= 1059, nxpk= 20, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 639, 640, 641,
 &end
#
#   40 ALA  HN           40 ALA  MB          2.80    (#   1060:20  Unique         2.21, 3.07 A)
 &rst
  ixpk= 1060, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 639, 640, 641,
 &end
#
#   40 ALA  HN           39 THR  HA          2.80    (#   1062:20  Unique         2.19, 2.35 A)
 &rst
  ixpk= 1062, nxpk= 20, iat= 635, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 THR  HN           39 THR  HA          3.50    (#   1063:20  Unique         2.88, 2.92 A)
 &rst
  ixpk= 1063, nxpk= 20, iat= 621, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1064    39 THR  HA          3.50    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799, 781, 782,
 &end
#
#   38 GLU  HB-          39 THR  HA          4.50    (#   1065:20  Unique         4.20, 4.67 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#   40 ALA  MB           39 THR  HA          4.50    (#   1066:20  Unique         4.00, 4.93 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 639, 640, 641,
 &end
#
#   50 THR  MG2          39 THR  HA          3.50    (#   1067:20  Unique         2.97, 4.30 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 769, 770, 771,
 &end
#
#   39 THR  MG2          39 THR  HA          2.80    (#   1068:20  Unique         2.04, 3.03 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 627, 628, 629,
 &end
#
#   40 ALA  HN           39 THR  HB          2.80    (#   1069:20  Unique         1.94, 2.59 A)
 &rst
  ixpk= 1069, nxpk= 20, iat= 635, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 THR  HA           39 THR  HB          2.80    (#   1070:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 1070, nxpk= 20, iat= 623, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 THR  MG2          39 THR  HB          3.50    (#   1072:20  Unique         2.00, 3.05 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 769, 770, 771,
 &end
#
#   39 THR  MG2          39 THR  HB          2.80    (#   1073:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 627, 628, 629,
 &end
#
#   39 THR  HN           39 THR  MG2         3.50    (#   1075:20  Unique         2.96, 4.02 A)
 &rst
  ixpk= 1075, nxpk= 20, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 627, 628, 629,
 &end
#
#   52 PHE  HD           39 THR  MG2         3.50    (#   1076:20  Preassigned    3.06, 5.16 A)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 802, 810,
 igr2= 627, 628, 629,
 &end
#
#   39 THR  HA           39 THR  MG2         2.80    (#   1077:20  Unique         2.04, 3.03 A)
 &rst
  ixpk= 1077, nxpk= 20, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 627, 628, 629,
 &end
#
#    0 AMB  20-2:1078     0 AMB  20-1:1078   2.80    (#   1078:20  Double Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 170, 350,
 igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
       359, 360,
 &end
#
#    0 AMB  20-2:1079     0 AMB  20-1:1079   3.50    (#   1079:20  Double Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 146, 796,1169, 647, 648,
 igr2= 174, 175, 176, 178, 179, 180, 627, 628, 629, 983,
       984, 985, 987, 988, 989,
 &end
#
#   39 THR  HB           39 THR  MG2         2.80    (#   1081:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 1081, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 627, 628, 629,
 &end
#
#   52 PHE  HB-          39 THR  MG2         2.80    (#   1082:20  Unique         2.12, 3.88 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 798, 799,
 igr2= 627, 628, 629,
 &end
#
#    0 AMB  20-2:1083    22 VAL  MGY         3.50    (#   1083:20  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 491, 492,  79,  80,  79,  80,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   38 GLU  HN           38 GLU  HA          2.80    (#   1084:20  Unique         2.76, 2.84 A)
 &rst
  ixpk= 1084, nxpk= 20, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 THR  HN           38 GLU  HA          2.80    (#   1085:20  Unique         2.15, 2.32 A)
 &rst
  ixpk= 1085, nxpk= 20, iat= 621, 608, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   38 GLU  HG+          38 GLU  HA          3.50    (#   1086:20  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 613, 614,
 &end
#
#   38 GLU  HG-          38 GLU  HA          3.50    (#   1087:20  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 613, 614,
 &end
#
#   38 GLU  HB+          38 GLU  HA          2.80    (#   1088:20  Unique         2.37, 2.67 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 610, 611,
 &end
#
#   38 GLU  HB-          38 GLU  HA          2.80    (#   1089:20  Unique         2.37, 2.67 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 610, 611,
 &end
#
#   38 GLU  HN           38 GLU  HB+         2.80    (#   1091:20  Unique         2.39, 3.07 A)
 &rst
  ixpk= 1091, nxpk= 20, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 610, 611,
 &end
#
#   38 GLU  HN           38 GLU  HB-         2.80    (#   1092:20  Unique         2.39, 3.07 A)
 &rst
  ixpk= 1092, nxpk= 20, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 610, 611,
 &end
#
#   39 THR  HN           38 GLU  HB+         3.50    (#   1093:20  Unique         2.24, 3.28 A)
 &rst
  ixpk= 1093, nxpk= 20, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#   39 THR  HN           38 GLU  HB-         2.80    (#   1094:20  Unique         2.24, 3.28 A)
 &rst
  ixpk= 1094, nxpk= 20, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 610, 611,
 &end
#
#   38 GLU  HA           38 GLU  HB+         2.80    (#   1095:20  Unique         2.37, 2.67 A)
 &rst
  ixpk= 1095, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 610, 611,
 &end
#
#    0 AMB  20-2:1096    38 GLU  HB-         2.80    (#   1096:20  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 608, 589,
 igr2= 610, 611,
 &end
#
#   38 GLU  HN           38 GLU  HG+         2.80    (#   1097:20  Unique         1.95, 2.84 A)
 &rst
  ixpk= 1097, nxpk= 20, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 613, 614,
 &end
#
#   38 GLU  HN           38 GLU  HG-         2.80    (#   1098:20  Unique         1.95, 2.84 A)
 &rst
  ixpk= 1098, nxpk= 20, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 613, 614,
 &end
#
#   39 THR  HN           38 GLU  HG+         4.50    (#   1099:20  Unique         3.00, 4.57 A)
 &rst
  ixpk= 1099, nxpk= 20, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 613, 614,
 &end
#
#   39 THR  HN           38 GLU  HG-         4.50    (#   1100:20  Unique         3.00, 4.57 A)
 &rst
  ixpk= 1100, nxpk= 20, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 613, 614,
 &end
#
#   38 GLU  HA           38 GLU  HG+         3.50    (#   1101:20  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 613, 614,
 &end
#
#    0 AMB  20-2:1102     0 AMB  20-1:1102   3.50    (#   1102:20  Double Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 608,  33,
 igr2= 613, 614,  11,  12,
 &end
#
#   37 LEU  HN           37 LEU  HA          3.50    (#   1103:20  Unique         2.82, 2.91 A)
 &rst
  ixpk= 1103, nxpk= 20, iat= 587, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  HN           37 LEU  HA          2.80    (#   1104:20  Unique         2.18, 2.36 A)
 &rst
  ixpk= 1104, nxpk= 20, iat= 606, 589, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 LEU  HG           37 LEU  HA          3.50    (#   1105:20  Unique         2.67, 3.15 A)
 &rst
  ixpk= 1105, nxpk= 20, iat= 594, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 LEU  HB-          37 LEU  HA          2.80    (#   1106:20  Preassigned    2.34, 2.72 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 591, 592,
 &end
#
#   37 LEU  MDX          37 LEU  HA          3.50    (#   1107:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  HN            0 AMB  20-1:1108   2.80    (#   1108:20  Single Ambig)
 &rst
  ixpk= 1108, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 591, 592, 591, 592,
 &end
#
#   37 LEU  HA            0 AMB  20-1:1109   3.50    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 591, 592, 591, 592,
 &end
#
#   37 LEU  HG            0 AMB  20-1:1110   2.80    (#   1110:20  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 591, 592, 591, 592,
 &end
#
#   37 LEU  MDX           0 AMB  20-1:1111   2.80    (#   1111:20  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 591, 592, 591, 592,
 &end
#
#   37 LEU  MDY           0 AMB  20-1:1112   2.80    (#   1112:20  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 591, 592, 591, 592,
 &end
#
#    0 AMB  20-2:1113    37 LEU  HG          2.80    (#   1113:20  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 591, 592, 591, 592,
 &end
#
#   37 LEU  MDX          37 LEU  HG          2.80    (#   1114:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  MDY          37 LEU  HG          2.80    (#   1115:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  HN           37 LEU  MDX         3.50    (#   1116:20  Unique         2.43, 4.50 A)
 &rst
  ixpk= 1116, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   38 GLU  HN           37 LEU  MDX         3.50    (#   1117:20  Unique         2.44, 5.03 A)
 &rst
  ixpk= 1117, nxpk= 20, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  HA           37 LEU  MDX         3.50    (#   1118:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  HG           37 LEU  MDX         2.80    (#   1119:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1119, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   32 CYS  HN           37 LEU  MDY         5.50    (#   1121:20  Unique         2.15, 5.43 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  HN           37 LEU  MDY         5.50    (#   1122:20  Unique         2.43, 4.50 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   52 PHE  HE           37 LEU  MDY         5.50    (#   1123:20  Unique         2.00, 7.44 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 804, 808,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  HA           37 LEU  MDY         5.50    (#   1124:20  Unique         2.00, 3.85 A)
 &rst
  ixpk= 1124, nxpk= 20, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   32 CYS  HB+          37 LEU  MDY         3.50    (#   1125:20  Unique         2.00, 4.10 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 515, 516,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   32 CYS  HB-          37 LEU  MDY         3.50    (#   1126:20  Unique         2.00, 4.10 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 515, 516,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  HG           37 LEU  MDY         2.80    (#   1127:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1127, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  20-2:1128    37 LEU  MDY         2.80    (#   1128:20  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 591, 592, 591, 592,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   54 ILE  HG1+         37 LEU  MDY         4.50    (#   1129:20  Unique         2.64, 6.03 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 835, 836,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   52 PHE  HB+          37 LEU  MDY         5.50    (#   1131:20  Preassigned    2.23, 6.14 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 798, 799,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   30 VAL  MGX          37 LEU  MDY         2.80    (#   1132:20  Unique         2.00, 6.00 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   32 CYS  HN           36 LYS  HA          5.50    (#   1133:20  Unique         2.61, 3.10 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 511, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 LYS  HN           36 LYS  HA          2.80    (#   1134:20  Unique         2.84, 2.93 A)
 &rst
  ixpk= 1134, nxpk= 20, iat= 565, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 LEU  HN           36 LYS  HA          2.80    (#   1135:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 1135, nxpk= 20, iat= 587, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 TRP  HA           36 LYS  HA          2.80    (#   1136:20  Unique         1.97, 2.11 A)
 &rst
  ixpk= 1136, nxpk= 20, iat= 489, 567, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1137    36 LYS  HA          4.50    (#   1137:20  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 575, 576, 591, 592, 591, 592,
 &end
#
#   36 LYS  HD+          36 LYS  HA          4.50    (#   1138:20  Unique         3.46, 4.12 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 575, 576,
 &end
#
#   36 LYS  HB+          36 LYS  HA          2.80    (#   1139:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 569, 570,
 &end
#
#   36 LYS  HG+          36 LYS  HA          3.50    (#   1140:20  Unique         2.30, 3.21 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 572, 573,
 &end
#
#   36 LYS  HB-          36 LYS  HA          2.80    (#   1141:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 569, 570,
 &end
#
#   36 LYS  HG-          36 LYS  HA          3.50    (#   1142:20  Unique         2.30, 3.21 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 572, 573,
 &end
#
#   36 LYS  HN           36 LYS  HB+         2.80    (#   1143:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 1143, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 569, 570,
 &end
#
#   36 LYS  HN           36 LYS  HB-         2.80    (#   1144:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 1144, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 569, 570,
 &end
#
#   36 LYS  HA           36 LYS  HB+         5.50    (#   1145:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 569, 570,
 &end
#
#   36 LYS  HA           36 LYS  HB-         4.50    (#   1146:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1146, nxpk= 20, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 569, 570,
 &end
#
#   36 LYS  HG+          36 LYS  HB+         2.80    (#   1147:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 572, 573,
 igr2= 569, 570,
 &end
#
#   36 LYS  HG+          36 LYS  HB-         3.50    (#   1148:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 572, 573,
 igr2= 569, 570,
 &end
#
#   36 LYS  HG-          36 LYS  HB+         3.50    (#   1149:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 572, 573,
 igr2= 569, 570,
 &end
#
#   36 LYS  HG-          36 LYS  HB-         3.50    (#   1150:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 572, 573,
 igr2= 569, 570,
 &end
#
#   37 LEU  HN           36 LYS  HG+         5.50    (#   1151:20  Unique         2.00, 3.93 A)
 &rst
  ixpk= 1151, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 572, 573,
 &end
#
#   37 LEU  HN           36 LYS  HG-         5.50    (#   1152:20  Unique         2.00, 3.93 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 572, 573,
 &end
#
#   36 LYS  HA           36 LYS  HG+         3.50    (#   1153:20  Unique         2.30, 3.21 A)
 &rst
  ixpk= 1153, nxpk= 20, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 572, 573,
 &end
#
#   36 LYS  HA           36 LYS  HG-         3.50    (#   1154:20  Unique         2.30, 3.21 A)
 &rst
  ixpk= 1154, nxpk= 20, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 572, 573,
 &end
#
#    0 AMB  20-2:1155     0 AMB  20-1:1155   5.50    (#   1155:20  Double Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 578, 579, 463, 464,
 igr2= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:1156    36 LYS  HG-         5.50    (#   1156:20  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 578, 579, 463, 464,
 igr2= 572, 573,
 &end
#
#   36 LYS  HD+          36 LYS  HG+         2.80    (#   1157:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 575, 576,
 igr2= 572, 573,
 &end
#
#   36 LYS  HB+          36 LYS  HG+         2.80    (#   1158:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570,
 igr2= 572, 573,
 &end
#
#   36 LYS  HD-          36 LYS  HG+         2.80    (#   1159:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 575, 576,
 igr2= 572, 573,
 &end
#
#   36 LYS  HB-          36 LYS  HG+         2.80    (#   1160:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570,
 igr2= 572, 573,
 &end
#
#   36 LYS  HB-          36 LYS  HG-         2.80    (#   1161:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570,
 igr2= 572, 573,
 &end
#
#   36 LYS  HB+          36 LYS  HG-         2.80    (#   1162:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570,
 igr2= 572, 573,
 &end
#
#   36 LYS  HD+          36 LYS  HG-         2.80    (#   1163:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 575, 576,
 igr2= 572, 573,
 &end
#
#   36 LYS  HD-          36 LYS  HG-         2.80    (#   1164:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 575, 576,
 igr2= 572, 573,
 &end
#
#   36 LYS  HE+          36 LYS  HD+         4.50    (#   1165:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 578, 579,
 igr2= 575, 576,
 &end
#
#   36 LYS  HE+          36 LYS  HD-         3.50    (#   1166:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 578, 579,
 igr2= 575, 576,
 &end
#
#    0 AMB  20-2:1167     0 AMB  20-1:1167   3.50    (#   1167:20  Double Ambig)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 578, 579, 463, 464,
 igr2= 575, 576, 575, 576,
 &end
#
#    0 AMB  20-2:1168    36 LYS  HD-         3.50    (#   1168:20  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 578, 579, 463, 464,
 igr2= 575, 576,
 &end
#
#   36 LYS  HG-          36 LYS  HD+         2.80    (#   1169:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 572, 573,
 igr2= 575, 576,
 &end
#
#   36 LYS  HG-          36 LYS  HD-         2.80    (#   1170:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 572, 573,
 igr2= 575, 576,
 &end
#
#   36 LYS  HB-          36 LYS  HD-         2.80    (#   1171:20  Unique         2.05, 3.17 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570,
 igr2= 575, 576,
 &end
#
#   36 LYS  HB-          36 LYS  HD+         2.80    (#   1172:20  Unique         2.05, 3.17 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570,
 igr2= 575, 576,
 &end
#
#   36 LYS  HG+          36 LYS  HD-         2.80    (#   1173:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 572, 573,
 igr2= 575, 576,
 &end
#
#   36 LYS  HG+          36 LYS  HD+         2.80    (#   1174:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 572, 573,
 igr2= 575, 576,
 &end
#
#   36 LYS  HG-          36 LYS  HE+         4.50    (#   1175:20  Unique         2.10, 3.08 A)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573,
 igr2= 578, 579,
 &end
#
#   36 LYS  HG-          36 LYS  HE-         4.50    (#   1176:20  Unique         2.10, 3.08 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573,
 igr2= 578, 579,
 &end
#
#   36 LYS  HB-          36 LYS  HE+         5.50    (#   1177:20  Unique         2.00, 4.45 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 569, 570,
 igr2= 578, 579,
 &end
#
#   36 LYS  HB-          36 LYS  HE-         5.50    (#   1178:20  Unique         2.00, 4.45 A)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 569, 570,
 igr2= 578, 579,
 &end
#
#   36 LYS  HG+          36 LYS  HE+         4.50    (#   1179:20  Unique         2.10, 3.08 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573,
 igr2= 578, 579,
 &end
#
#   36 LYS  HG+          36 LYS  HE-         3.50    (#   1180:20  Unique         2.10, 3.08 A)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 572, 573,
 igr2= 578, 579,
 &end
#
#   36 LYS  HB+          36 LYS  HE+         2.80    (#   1181:20  Unique         2.00, 4.45 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 569, 570,
 igr2= 578, 579,
 &end
#
#   36 LYS  HD+          36 LYS  HE+         2.80    (#   1182:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 575, 576,
 igr2= 578, 579,
 &end
#
#    0 AMB  20-2:1183     0 AMB  20-1:1183   2.80    (#   1183:20  Double Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 575, 576, 575, 576,
 igr2= 578, 579, 578, 579,
 &end
#
#    0 AMB  20-2:1184    36 LYS  HE-         2.80    (#   1184:20  Single Ambig)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 569, 570, 575, 576,
 igr2= 578, 579,
 &end
#
#   36 LYS  HD+          36 LYS  HE-         2.80    (#   1185:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 575, 576,
 igr2= 578, 579,
 &end
#
#   36 LYS  HD-          36 LYS  HE-         2.80    (#   1186:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 575, 576,
 igr2= 578, 579,
 &end
#
#   36 LYS  HN           35 LYS  HB-         4.50    (#   1189:20  Unique         1.94, 3.07 A)
 &rst
  ixpk= 1189, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 547, 548,
 &end
#
#   36 LYS  HN           35 LYS  HB+         4.50    (#   1190:20  Unique         1.94, 3.07 A)
 &rst
  ixpk= 1190, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 547, 548,
 &end
#
#   35 LYS  HN           35 LYS  HB-         2.80    (#   1191:20  Unique         2.37, 3.06 A)
 &rst
  ixpk= 1191, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 547, 548,
 &end
#
#   35 LYS  HN           35 LYS  HB+         2.80    (#   1192:20  Unique         2.37, 3.06 A)
 &rst
  ixpk= 1192, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 547, 548,
 &end
#
#   35 LYS  HA           35 LYS  HB-         2.80    (#   1193:20  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1193, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 547, 548,
 &end
#
#   35 LYS  HA           35 LYS  HB+         2.80    (#   1194:20  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1194, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 547, 548,
 &end
#
#   35 LYS  HG-          35 LYS  HB-         3.50    (#   1195:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 550, 551,
 igr2= 547, 548,
 &end
#
#   35 LYS  HG+          35 LYS  HB+         3.50    (#   1196:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 550, 551,
 igr2= 547, 548,
 &end
#
#   36 LYS  HN           35 LYS  HG+         5.50    (#   1197:20  Unique         2.91, 4.34 A)
 &rst
  ixpk= 1197, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 550, 551,
 &end
#
#   36 LYS  HN           35 LYS  HG-         5.50    (#   1198:20  Unique         2.91, 4.34 A)
 &rst
  ixpk= 1198, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 550, 551,
 &end
#
#   35 LYS  HN           35 LYS  HG+         5.50    (#   1199:20  Unique         2.03, 3.04 A)
 &rst
  ixpk= 1199, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 550, 551,
 &end
#
#   35 LYS  HN           35 LYS  HG-         5.50    (#   1200:20  Unique         2.03, 3.04 A)
 &rst
  ixpk= 1200, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 550, 551,
 &end
#
#   35 LYS  HA           35 LYS  HG-         3.50    (#   1201:20  Unique         2.31, 3.42 A)
 &rst
  ixpk= 1201, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 550, 551,
 &end
#
#   35 LYS  HA           35 LYS  HG+         3.50    (#   1202:20  Unique         2.31, 3.42 A)
 &rst
  ixpk= 1202, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 550, 551,
 &end
#
#    0 AMB  20-2:1203     0 AMB  20-1:1203   5.50    (#   1203:20  Double Ambig)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 556, 557, 556, 557,
 igr2= 550, 551, 550, 551,
 &end
#
#   35 LYS  HA            0 AMB  20-1:1206   4.50    (#   1206:20  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 553, 554, 553, 554,
 &end
#
#    0 AMB  20-2:1207     0 AMB  20-1:1207   2.80    (#   1207:20  Double Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 556, 557, 556, 557, 556, 557,
 igr2= 553, 554, 553, 554, 553, 554,
 &end
#
#   35 LYS  HA            0 AMB  20-1:1208   4.50    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 556, 557, 556, 557,
 &end
#
#    0 AMB  20-2:1209     0 AMB  20-1:1209   2.80    (#   1209:20  Double Ambig)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 553, 554, 553, 554, 553, 554,
 igr2= 556, 557, 556, 557, 556, 557,
 &end
#
#    0 AMB  20-2:1210     0 AMB  20-1:1210   4.50    (#   1210:20  Double Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 550, 551, 550, 551,
 igr2= 556, 557, 556, 557,
 &end
#
#   35 LYS  HG-           0 AMB  20-1:1211   3.50    (#   1211:20  Single Ambig)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 550, 551,
 igr2= 556, 557, 556, 557,
 &end
#
#   34 GLY  HN           34 GLY  HA+         2.80    (#   1212:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 538, 539,
 &end
#
#   34 GLY  HN           34 GLY  HA-         2.80    (#   1213:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1213, nxpk= 20, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 538, 539,
 &end
#
#   35 LYS  HN           34 GLY  HA-         3.50    (#   1214:20  Unique         2.26, 3.09 A)
 &rst
  ixpk= 1214, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 538, 539,
 &end
#
#   35 LYS  HN           34 GLY  HA+         3.50    (#   1215:20  Unique         2.26, 3.09 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 538, 539,
 &end
#
#    0 AMB  20-2:1216     0 AMB  20-1:1216   3.50    (#   1216:20  Double Ambig)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 531, 532, 543,
 igr2= 526, 527, 526, 527,
 &end
#
#    0 AMB  20-2:1217    33 ASN  HB-         3.50    (#   1217:20  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 531, 532, 543,
 igr2= 526, 527,
 &end
#
#   33 ASN  HD2-         33 ASN  HB+         4.50    (#   1218:20  Unique         2.20, 3.44 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 531, 532,
 igr2= 526, 527,
 &end
#
#   33 ASN  HD2-         33 ASN  HB-         4.50    (#   1219:20  Unique         2.20, 3.44 A)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 531, 532,
 igr2= 526, 527,
 &end
#
#   33 ASN  HA           33 ASN  HB+         2.80    (#   1220:20  Unique         2.35, 2.80 A)
 &rst
  ixpk= 1220, nxpk= 20, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 526, 527,
 &end
#
#   33 ASN  HA           33 ASN  HB-         2.80    (#   1221:20  Unique         2.35, 2.80 A)
 &rst
  ixpk= 1221, nxpk= 20, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 526, 527,
 &end
#
#   33 ASN  HN           32 CYS  HA          2.80    (#   1222:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 1222, nxpk= 20, iat= 522, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 CYS  HN           32 CYS  HA          3.50    (#   1223:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1223, nxpk= 20, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 VAL  HN           32 CYS  HA          4.50    (#   1224:20  Unique         3.28, 3.95 A)
 &rst
  ixpk= 1224, nxpk= 20, iat= 348, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ILE  HA           32 CYS  HA          2.80    (#   1225:20  Unique         2.16, 2.73 A)
 &rst
  ixpk= 1225, nxpk= 20, iat= 331, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 CYS  HB+          32 CYS  HA          2.80    (#   1227:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 515, 516,
 &end
#
#   32 CYS  HB-          32 CYS  HA          2.80    (#   1228:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 515, 516,
 &end
#
#   21 ILE  HG1+         32 CYS  HA          4.50    (#   1229:20  Unique         1.99, 4.12 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 339, 340,
 &end
#
#    0 AMB  20-2:1230    32 CYS  HA          2.80    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 342, 343, 344, 335, 336, 337,
 &end
#
#   37 LEU  MDY          32 CYS  HA          5.50    (#   1231:20  Unique         4.05, 6.16 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   32 CYS  HN           32 CYS  HB+         2.80    (#   1232:20  Unique         2.63, 3.22 A)
 &rst
  ixpk= 1232, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 515, 516,
 &end
#
#   32 CYS  HN           32 CYS  HB-         3.50    (#   1233:20  Unique         2.63, 3.22 A)
 &rst
  ixpk= 1233, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 515, 516,
 &end
#
#   32 CYS  HA           32 CYS  HB+         2.80    (#   1234:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1234, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 515, 516,
 &end
#
#   32 CYS  HA           32 CYS  HB-         2.80    (#   1235:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1235, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 515, 516,
 &end
#
#   37 LEU  HG           32 CYS  HB+         3.50    (#   1238:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1238, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 515, 516,
 &end
#
#   37 LEU  HG           32 CYS  HB-         3.50    (#   1239:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1239, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 515, 516,
 &end
#
#    0 AMB  20-2:1240    32 CYS  HB-         4.50    (#   1240:20  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 339, 340, 591, 592,
 igr2= 515, 516,
 &end
#
#    0 AMB  20-2:1241     0 AMB  20-1:1241   2.80    (#   1241:20  Double Ambig)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 596, 597, 598, 600, 601, 602, 342, 343, 344,
 igr2= 515, 516, 515, 516,
 &end
#
#    0 AMB  20-2:1242    32 CYS  HB-         2.80    (#   1242:20  Single Ambig)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 596, 597, 598, 600, 601, 602, 342, 343, 344,
 igr2= 515, 516,
 &end
#
#   54 ILE  QD1          32 CYS  HB-         5.50    (#   1244:20  Unique         3.56, 6.05 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 838, 839, 840,
 igr2= 515, 516,
 &end
#
#   37 LEU  MDY          32 CYS  HB-         2.80    (#   1245:20  Unique         2.00, 4.10 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 515, 516,
 &end
#
#   37 LEU  MDY          32 CYS  HB+         2.80    (#   1246:20  Unique         2.00, 4.10 A)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 596, 597, 598, 600, 601, 602,
 igr2= 515, 516,
 &end
#
#   32 CYS  HN           31 TRP  HA          2.80    (#   1247:20  Unique         2.15, 2.25 A)
 &rst
  ixpk= 1247, nxpk= 20, iat= 511, 489, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 TRP  HN           31 TRP  HA          3.50    (#   1248:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1248, nxpk= 20, iat= 487, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 LEU  HN           31 TRP  HA          4.50    (#   1249:20  Unique         2.58, 3.22 A)
 &rst
  ixpk= 1249, nxpk= 20, iat= 587, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LYS  HA           31 TRP  HA          2.80    (#   1251:20  Unique         1.97, 2.11 A)
 &rst
  ixpk= 1251, nxpk= 20, iat= 567, 489, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 TRP  HB+          31 TRP  HA          4.50    (#   1252:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 491, 492,
 &end
#
#   31 TRP  HB-          31 TRP  HA          2.80    (#   1253:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 491, 492,
 &end
#
#   32 CYS  HN           31 TRP  HB+         5.50    (#   1254:20  Unique         2.64, 3.51 A)
 &rst
  ixpk= 1254, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 491, 492,
 &end
#
#   32 CYS  HN           31 TRP  HB-         5.50    (#   1255:20  Unique         2.64, 3.51 A)
 &rst
  ixpk= 1255, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 491, 492,
 &end
#
#   31 TRP  HN           31 TRP  HB-         2.80    (#   1256:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 1256, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 491, 492,
 &end
#
#   31 TRP  HN           31 TRP  HB+         2.80    (#   1257:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 1257, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 491, 492,
 &end
#
#   31 TRP  HD1          31 TRP  HB+         3.50    (#   1258:20  Unique         2.76, 3.55 A)
 &rst
  ixpk= 1258, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 491, 492,
 &end
#
#   31 TRP  HD1          31 TRP  HB-         3.50    (#   1259:20  Unique         2.76, 3.55 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 491, 492,
 &end
#
#   31 TRP  HE3          31 TRP  HB-         3.50    (#   1260:20  Unique         2.43, 3.00 A)
 &rst
  ixpk= 1260, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 491, 492,
 &end
#
#   31 TRP  HE3          31 TRP  HB+         3.50    (#   1261:20  Unique         2.43, 3.00 A)
 &rst
  ixpk= 1261, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 491, 492,
 &end
#
#   31 TRP  HA           31 TRP  HB+         2.80    (#   1262:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1262, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 491, 492,
 &end
#
#   31 TRP  HA           31 TRP  HB-         2.80    (#   1263:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1263, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 491, 492,
 &end
#
#   22 VAL  HB           31 TRP  HB+         2.80    (#   1264:20  Unique         2.00, 2.89 A)
 &rst
  ixpk= 1264, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 491, 492,
 &end
#
#   22 VAL  HB           31 TRP  HB-         2.80    (#   1265:20  Unique         2.00, 2.89 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 491, 492,
 &end
#
#   22 VAL  MGX          31 TRP  HB+         4.50    (#   1266:20  Preassigned    2.97, 4.98 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 491, 492,
 &end
#
#   22 VAL  MGX          31 TRP  HB-         5.50    (#   1267:20  Preassigned    2.97, 4.98 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 491, 492,
 &end
#
#   30 VAL  HN           30 VAL  HB          2.80    (#   1268:20  Unique         2.77, 2.82 A)
 &rst
  ixpk= 1268, nxpk= 20, iat= 471, 475, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 VAL  HA           30 VAL  HB          3.50    (#   1269:20  Unique         2.41, 2.42 A)
 &rst
  ixpk= 1269, nxpk= 20, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  MG2          30 VAL  HB          2.80    (#   1271:20  Unique         3.58, 4.65 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 627, 628, 629,
 &end
#
#   30 VAL  MGY          30 VAL  HB          2.80    (#   1272:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#   30 VAL  MGX          30 VAL  HB          2.80    (#   1273:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#   31 TRP  HN           30 VAL  MGX         3.50    (#   1275:20  Unique         2.44, 4.31 A)
 &rst
  ixpk= 1275, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   30 VAL  HN           30 VAL  MGX         4.50    (#   1276:20  Unique         1.95, 3.67 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   37 LEU  HN           30 VAL  MGX         5.50    (#   1277:20  Unique         2.59, 4.72 A)
 &rst
  ixpk= 1277, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   52 PHE  HE           30 VAL  MGX         3.50    (#   1278:20  Unique         2.02, 5.42 A)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 804, 808,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   37 LEU  HG           30 VAL  MGX         3.50    (#   1279:20  Unique         2.60, 5.02 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   52 PHE  HZ           30 VAL  MGX         4.50    (#   1280:20  Unique         2.41, 5.58 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:1281    30 VAL  MGX         3.50    (#   1281:20  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 366, 623,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   31 TRP  HA           30 VAL  MGX         4.50    (#   1282:20  Preassigned    3.84, 5.12 A)
 &rst
  ixpk= 1282, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   30 VAL  HA           30 VAL  MGX         2.80    (#   1283:20  Unique         2.34, 3.51 A)
 &rst
  ixpk= 1283, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   32 CYS  HB+          30 VAL  MGX         3.50    (#   1284:20  Preassigned    3.44, 6.17 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 515, 516,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   21 ILE  HB           30 VAL  MGX         5.50    (#   1285:20  Preassigned    4.68, 7.40 A)
 &rst
  ixpk= 1285, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:1286    30 VAL  MGX         5.50    (#   1286:20  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 120, 121, 610, 611, 909, 910,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:1288    30 VAL  MGX         2.80    (#   1288:20  Single Ambig)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 335, 336, 337, 596, 597, 598, 600, 601, 602,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   61 ILE  QD1          30 VAL  MGX         3.50    (#   1289:20  Preassigned    2.72, 5.95 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 939, 940, 941,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   31 TRP  HN           30 VAL  MGY         3.50    (#   1291:20  Unique         2.44, 4.31 A)
 &rst
  ixpk= 1291, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:1292    30 VAL  MGY         5.50    (#   1292:20  Single Ambig)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 364, 383,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   30 VAL  HN           30 VAL  MGY         3.50    (#   1293:20  Unique         1.95, 3.67 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   52 PHE  HD           30 VAL  MGY         3.50    (#   1294:20  Unique         2.35, 5.20 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 802, 810,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:1295    30 VAL  MGY         3.50    (#   1295:20  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 366, 623,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   30 VAL  HA           30 VAL  MGY         2.80    (#   1296:20  Unique         2.34, 3.51 A)
 &rst
  ixpk= 1296, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   50 THR  HB           30 VAL  MGY         5.50    (#   1297:20  Preassigned    4.77, 6.87 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:1298    30 VAL  MGY         4.50    (#   1298:20  Single Ambig)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 333, 463, 464, 390, 391,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:1299    30 VAL  MGY         5.50    (#   1299:20  Single Ambig)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 453, 454, 455, 547, 548, 547, 548,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   30 VAL  HB           30 VAL  MGY         2.80    (#   1301:20  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 1301, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   37 LEU  HG           30 VAL  MGY         3.50    (#   1302:20  Unique         2.60, 5.02 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   39 THR  MG2          30 VAL  MGY         2.80    (#   1303:20  Unique         2.11, 4.91 A)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 627, 628, 629,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   31 TRP  HE1          29 ASP  HB+         4.50    (#   1304:20  Unique         2.04, 3.11 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#   31 TRP  HE1          29 ASP  HB-         4.50    (#   1305:20  Unique         2.04, 3.11 A)
 &rst
  ixpk= 1305, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#   30 VAL  HN           29 ASP  HB+         4.50    (#   1306:20  Unique         3.51, 3.92 A)
 &rst
  ixpk= 1306, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#   30 VAL  HN           29 ASP  HB-         3.50    (#   1307:20  Unique         3.51, 3.92 A)
 &rst
  ixpk= 1307, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 463, 464,
 &end
#
#   24 GLU  HN           29 ASP  HB+         5.50    (#   1308:20  Unique         3.93, 4.85 A)
 &rst
  ixpk= 1308, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 463, 464,
 &end
#
#   29 ASP  HN           29 ASP  HB+         2.80    (#   1309:20  Unique         2.77, 3.41 A)
 &rst
  ixpk= 1309, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 463, 464,
 &end
#
#   29 ASP  HN           29 ASP  HB-         2.80    (#   1310:20  Unique         2.77, 3.41 A)
 &rst
  ixpk= 1310, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 463, 464,
 &end
#
#    0 AMB  20-2:1313     0 AMB  20-1:1313   5.50    (#   1313:20  Double Ambig)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 569, 570, 575, 576,
 igr2= 463, 464, 463, 464,
 &end
#
#    0 AMB  20-2:1314    29 ASP  HB-         4.50    (#   1314:20  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 569, 570, 575, 576,
 igr2= 463, 464,
 &end
#
#   27 ALA  MB           29 ASP  HB+         3.50    (#   1315:20  Unique         2.88, 4.86 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 436, 437, 438,
 igr2= 463, 464,
 &end
#
#   36 LYS  HG+          29 ASP  HB+         4.50    (#   1316:20  Unique         2.19, 4.14 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573,
 igr2= 463, 464,
 &end
#
#   27 ALA  MB           29 ASP  HB-         5.50    (#   1317:20  Unique         2.88, 4.86 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 436, 437, 438,
 igr2= 463, 464,
 &end
#
#   36 LYS  HG-          29 ASP  HB-         5.50    (#   1318:20  Unique         2.19, 4.14 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573,
 igr2= 463, 464,
 &end
#
#   28 MET  HN           28 MET  HA          2.80    (#   1319:20  Unique         2.27, 2.27 A)
 &rst
  ixpk= 1319, nxpk= 20, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   29 ASP  HN           28 MET  HA          2.80    (#   1320:20  Unique         2.49, 2.63 A)
 &rst
  ixpk= 1320, nxpk= 20, iat= 459, 444, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 LYS  HA           28 MET  HA          5.50    (#   1321:20  Unique         2.97, 3.52 A)
 &rst
  ixpk= 1321, nxpk= 20, iat= 400, 444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 MET  HG-          28 MET  HA          2.80    (#   1322:20  Unique         2.17, 3.14 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 449, 450,
 &end
#
#   28 MET  HB+          28 MET  HA          2.80    (#   1323:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 446, 447,
 &end
#
#   28 MET  HB-          28 MET  HA          2.80    (#   1324:20  Preassigned    2.46, 2.79 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 446, 447,
 &end
#
#   28 MET  ME           28 MET  HA          5.50    (#   1325:20  Unique         2.01, 3.23 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 453, 454, 455,
 &end
#
#   27 ALA  MB           28 MET  HA          5.50    (#   1326:20  Unique         4.60, 5.50 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 436, 437, 438,
 &end
#
#   23 LEU  MDX          28 MET  HA          3.50    (#   1327:20  Unique         3.39, 4.93 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 MET  HN           28 MET  HB+         5.50    (#   1329:20  Unique         3.30, 3.73 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 446, 447,
 &end
#
#   28 MET  HN           28 MET  HB-         5.50    (#   1330:20  Unique         3.30, 3.73 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 446, 447,
 &end
#
#   28 MET  HA           28 MET  HB+         3.50    (#   1331:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 446, 447,
 &end
#
#   28 MET  HA           28 MET  HB-         2.80    (#   1332:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 446, 447,
 &end
#
#   28 MET  HG+          28 MET  HB+         2.80    (#   1333:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 449, 450,
 igr2= 446, 447,
 &end
#
#   28 MET  HG+          28 MET  HB-         2.80    (#   1334:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 449, 450,
 igr2= 446, 447,
 &end
#
#   28 MET  HG-          28 MET  HB+         2.80    (#   1335:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 449, 450,
 igr2= 446, 447,
 &end
#
#   28 MET  HG-          28 MET  HB-         2.80    (#   1336:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 449, 450,
 igr2= 446, 447,
 &end
#
#   28 MET  ME           28 MET  HB-         3.50    (#   1337:20  Unique         2.00, 3.80 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 453, 454, 455,
 igr2= 446, 447,
 &end
#
#   28 MET  ME           28 MET  HB+         3.50    (#   1338:20  Unique         2.00, 3.80 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 453, 454, 455,
 igr2= 446, 447,
 &end
#
#   28 MET  HN           28 MET  HG+         5.50    (#   1339:20  Unique         2.77, 3.56 A)
 &rst
  ixpk= 1339, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 449, 450,
 &end
#
#   28 MET  HN           28 MET  HG-         3.50    (#   1340:20  Unique         2.77, 3.56 A)
 &rst
  ixpk= 1340, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 449, 450,
 &end
#
#   28 MET  HA           28 MET  HG+         4.50    (#   1341:20  Unique         2.17, 3.14 A)
 &rst
  ixpk= 1341, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 449, 450,
 &end
#
#   28 MET  HA           28 MET  HG-         3.50    (#   1342:20  Unique         2.17, 3.14 A)
 &rst
  ixpk= 1342, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 449, 450,
 &end
#
#   28 MET  HB+          28 MET  HG+         2.80    (#   1343:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 446, 447,
 igr2= 449, 450,
 &end
#
#   28 MET  HB-          28 MET  HG+         2.80    (#   1344:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 446, 447,
 igr2= 449, 450,
 &end
#
#   28 MET  HB-          28 MET  HG-         2.80    (#   1345:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 446, 447,
 igr2= 449, 450,
 &end
#
#   28 MET  HB+          28 MET  HG-         2.80    (#   1346:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 446, 447,
 igr2= 449, 450,
 &end
#
#   28 MET  ME           28 MET  HG+         2.80    (#   1347:20  Unique         2.24, 3.70 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 453, 454, 455,
 igr2= 449, 450,
 &end
#
#   28 MET  ME           28 MET  HG-         2.80    (#   1348:20  Unique         2.24, 3.70 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 453, 454, 455,
 igr2= 449, 450,
 &end
#
#   28 MET  HN           28 MET  ME          5.50    (#   1349:20  Unique         3.66, 5.16 A)
 &rst
  ixpk= 1349, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 453, 454, 455,
 &end
#
#   75 HIS  HD2          28 MET  ME          3.50    (#   1350:20  Unique         2.70, 5.71 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 453, 454, 455,
 &end
#
#    0 AMB  20-2:1352    28 MET  ME          3.50    (#   1352:20  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 444, 738,
 igr2= 453, 454, 455,
 &end
#
#   50 THR  HB           28 MET  ME          4.50    (#   1353:20  Unique         4.31, 5.46 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 453, 454, 455,
 &end
#
#   28 MET  HG+          28 MET  ME          2.80    (#   1354:20  Unique         2.24, 3.70 A)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 449, 450,
 igr2= 453, 454, 455,
 &end
#
#   28 MET  HG-          28 MET  ME          2.80    (#   1355:20  Unique         2.24, 3.70 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 449, 450,
 igr2= 453, 454, 455,
 &end
#
#   48 THR  MG2          28 MET  ME          4.50    (#   1356:20  Unique         2.32, 5.18 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 740, 741, 742,
 igr2= 453, 454, 455,
 &end
#
#   50 THR  MG2          28 MET  ME          4.50    (#   1358:20  Unique         3.05, 5.12 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 769, 770, 771,
 igr2= 453, 454, 455,
 &end
#
#   61 ILE  QG2          28 MET  ME          3.50    (#   1359:20  Unique         3.30, 5.76 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933, 934,
 igr2= 453, 454, 455,
 &end
#
#   23 LEU  MDX          28 MET  ME          2.80    (#   1360:20  Unique         3.46, 5.63 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 453, 454, 455,
 &end
#
#   23 LEU  MDY          28 MET  ME          2.80    (#   1361:20  Unique         3.46, 5.63 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 453, 454, 455,
 &end
#
#    0 AMB  20-2:1362    28 MET  ME          4.50    (#   1362:20  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 477, 478, 479, 481, 482, 483,1118,1119,1120,
 igr2= 453, 454, 455,
 &end
#
#   26 ASP  HN           26 ASP  HA          2.80    (#   1363:20  Unique         2.80, 2.84 A)
 &rst
  ixpk= 1363, nxpk= 20, iat= 420, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   28 MET  HN           26 ASP  HA          4.50    (#   1364:20  Unique         4.20, 4.44 A)
 &rst
  ixpk= 1364, nxpk= 20, iat= 442, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1365    26 ASP  HA          3.50    (#   1365:20  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 402, 403, 402, 403,
 &end
#
#   26 ASP  HB+          26 ASP  HA          2.80    (#   1366:20  Unique         2.41, 2.79 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 424, 425,
 &end
#
#   26 ASP  HB-          26 ASP  HA          2.80    (#   1367:20  Unique         2.41, 2.79 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 424, 425,
 &end
#
#   26 ASP  HN           26 ASP  HB+         2.80    (#   1369:20  Unique         2.24, 2.55 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 424, 425,
 &end
#
#   26 ASP  HN           26 ASP  HB-         2.80    (#   1370:20  Unique         2.24, 2.55 A)
 &rst
  ixpk= 1370, nxpk= 20, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 424, 425,
 &end
#
#   27 ALA  HN           26 ASP  HB+         2.80    (#   1371:20  Unique         3.02, 3.64 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 424, 425,
 &end
#
#   27 ALA  HN           26 ASP  HB-         2.80    (#   1372:20  Unique         3.02, 3.64 A)
 &rst
  ixpk= 1372, nxpk= 20, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 424, 425,
 &end
#
#   26 ASP  HA           26 ASP  HB+         2.80    (#   1373:20  Preassigned    2.41, 2.79 A)
 &rst
  ixpk= 1373, nxpk= 20, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 424, 425,
 &end
#
#   26 ASP  HA           26 ASP  HB-         2.80    (#   1374:20  Preassigned    2.41, 2.79 A)
 &rst
  ixpk= 1374, nxpk= 20, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 424, 425,
 &end
#
#   27 ALA  MB           26 ASP  HB-         4.50    (#   1375:20  Preassigned    3.65, 5.55 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 436, 437, 438,
 igr2= 424, 425,
 &end
#
#   26 ASP  HN           25 LYS  HA          5.50    (#   1376:20  Unique         3.47, 3.56 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 420, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LYS  HN           25 LYS  HA          3.50    (#   1377:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 1377, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 MET  HN           25 LYS  HA          4.50    (#   1378:20  Unique         2.88, 3.31 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 442, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 MET  ME           25 LYS  HA          5.50    (#   1379:20  Unique         2.68, 4.82 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 453, 454, 455,
 &end
#
#    0 AMB  20-2:1380    25 LYS  HA          3.50    (#   1380:20  Single Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 408, 409, 408, 409,
 &end
#
#    0 AMB  20-2:1381    25 LYS  HA          2.80    (#   1381:20  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 402, 403, 402, 403,
 &end
#
#   25 LYS  HG+          25 LYS  HA          2.80    (#   1382:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 405, 406,
 &end
#
#   25 LYS  HG-          25 LYS  HA          2.80    (#   1383:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 405, 406,
 &end
#
#   23 LEU  MDY          25 LYS  HA          4.50    (#   1384:20  Unique         3.13, 5.01 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  MDX          25 LYS  HA          2.80    (#   1385:20  Unique         3.13, 5.01 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   25 LYS  HN            0 AMB  20-1:1386   2.80    (#   1386:20  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 402, 403, 402, 403,
 &end
#
#   26 ASP  HN            0 AMB  20-1:1387   5.50    (#   1387:20  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 20, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 402, 403, 402, 403,
 &end
#
#    0 AMB  20-2:1389     0 AMB  20-1:1389   3.50    (#   1389:20  Double Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 422,  92,  90,1133,
 igr2= 402, 403, 402, 403, 402, 403, 402, 403, 402, 403,
      
 &end
#
#   25 LYS  HA            0 AMB  20-1:1390   2.80    (#   1390:20  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 402, 403, 402, 403,
 &end
#
#    0 AMB  20-2:1391     0 AMB  20-1:1391   5.50    (#   1391:20  Double Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 411, 412, 411, 412,
 igr2= 402, 403, 402, 403,
 &end
#
#   25 LYS  HE-           0 AMB  20-1:1392   5.50    (#   1392:20  Single Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 411, 412,
 igr2= 402, 403, 402, 403,
 &end
#
#   25 LYS  HG-           0 AMB  20-1:1393   2.80    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 405, 406,
 igr2= 402, 403, 402, 403,
 &end
#
#    0 AMB  20-2:1394     0 AMB  20-1:1394   2.80    (#   1394:20  Double Ambig)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 405, 406, 405, 406,
 igr2= 402, 403, 402, 403,
 &end
#
#   23 LEU  MDY           0 AMB  20-1:1395   3.50    (#   1395:20  Single Ambig)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 402, 403, 402, 403,
 &end
#
#   25 LYS  HN           25 LYS  HG-         3.50    (#   1396:20  Unique         2.34, 3.43 A)
 &rst
  ixpk= 1396, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 405, 406,
 &end
#
#   25 LYS  HN           25 LYS  HG+         3.50    (#   1397:20  Unique         2.34, 3.43 A)
 &rst
  ixpk= 1397, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 405, 406,
 &end
#
#   25 LYS  HA           25 LYS  HG+         3.50    (#   1398:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 1398, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 405, 406,
 &end
#
#   25 LYS  HA           25 LYS  HG-         5.50    (#   1399:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 1399, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 405, 406,
 &end
#
#   25 LYS  HE-          25 LYS  HG+         4.50    (#   1400:20  Unique         2.07, 3.31 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 411, 412,
 igr2= 405, 406,
 &end
#
#   25 LYS  HE+          25 LYS  HG+         4.50    (#   1401:20  Unique         2.07, 3.31 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 411, 412,
 igr2= 405, 406,
 &end
#
#   25 LYS  HE-          25 LYS  HG-         5.50    (#   1402:20  Unique         2.07, 3.31 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 411, 412,
 igr2= 405, 406,
 &end
#
#   25 LYS  HE+          25 LYS  HG-         5.50    (#   1403:20  Unique         2.07, 3.31 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 411, 412,
 igr2= 405, 406,
 &end
#
#    0 AMB  20-2:1404     0 AMB  20-1:1404   2.80    (#   1404:20  Double Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 408, 409, 408, 409,
 igr2= 405, 406, 405, 406,
 &end
#
#    0 AMB  20-2:1405     0 AMB  20-1:1405   2.80    (#   1405:20  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 402, 403, 402, 403,
 igr2= 405, 406, 405, 406,
 &end
#
#    0 AMB  20-2:1406    25 LYS  HG-         2.80    (#   1406:20  Single Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 408, 409, 408, 409,
 igr2= 405, 406,
 &end
#
#    0 AMB  20-2:1407    25 LYS  HG-         2.80    (#   1407:20  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 402, 403, 402, 403,
 igr2= 405, 406,
 &end
#
#   23 LEU  MDY          25 LYS  HG+         3.50    (#   1408:20  Unique         2.94, 5.37 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 405, 406,
 &end
#
#   23 LEU  MDY          25 LYS  HG-         3.50    (#   1409:20  Unique         2.94, 5.37 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 405, 406,
 &end
#
#   25 LYS  HN            0 AMB  20-1:1410   5.50    (#   1410:20  Single Ambig)
 &rst
  ixpk= 1410, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 408, 409, 408, 409,
 &end
#
#   75 HIS  HE1           0 AMB  20-1:1411   5.50    (#   1411:20  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 408, 409, 408, 409,
 &end
#
#    0 AMB  20-2:1412     0 AMB  20-1:1412   2.80    (#   1412:20  Double Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 411, 412, 411, 412,1154,1155,
 igr2= 408, 409, 408, 409, 408, 409,
 &end
#
#   25 LYS  HA           25 LYS  HE+         5.50    (#   1414:20  Unique         3.97, 4.83 A)
 &rst
  ixpk= 1414, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 411, 412,
 &end
#
#   25 LYS  HA           25 LYS  HE-         5.50    (#   1415:20  Preassigned    3.97, 4.83 A)
 &rst
  ixpk= 1415, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 411, 412,
 &end
#
#   25 LYS  HG-          25 LYS  HE+         3.50    (#   1416:20  Preassigned    2.07, 3.31 A)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 405, 406,
 igr2= 411, 412,
 &end
#
#   25 LYS  HG-          25 LYS  HE-         2.80    (#   1417:20  Preassigned    2.07, 3.31 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 405, 406,
 igr2= 411, 412,
 &end
#
#   25 LYS  HG+          25 LYS  HE+         3.50    (#   1418:20  Unique         2.07, 3.31 A)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 405, 406,
 igr2= 411, 412,
 &end
#
#   25 LYS  HG+          25 LYS  HE-         2.80    (#   1419:20  Unique         2.07, 3.31 A)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 405, 406,
 igr2= 411, 412,
 &end
#
#   24 GLU  HN           24 GLU  HB+         2.80    (#   1420:20  Unique         2.22, 3.09 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 387, 388,
 &end
#
#   24 GLU  HN           24 GLU  HB-         2.80    (#   1421:20  Unique         2.22, 3.09 A)
 &rst
  ixpk= 1421, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 387, 388,
 &end
#
#   29 ASP  HN           24 GLU  HB+         3.50    (#   1422:20  Unique         1.95, 2.84 A)
 &rst
  ixpk= 1422, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#   29 ASP  HN           24 GLU  HB-         3.50    (#   1423:20  Unique         1.95, 2.84 A)
 &rst
  ixpk= 1423, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:1424    24 GLU  HB-         5.50    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 504, 506,
 igr2= 387, 388,
 &end
#
#   31 TRP  HD1          24 GLU  HB-         5.50    (#   1425:20  Preassigned    4.46, 6.29 A)
 &rst
  ixpk= 1425, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 387, 388,
 &end
#
#   29 ASP  HB+          24 GLU  HB+         3.50    (#   1428:20  Unique         2.78, 4.71 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 463, 464,
 igr2= 387, 388,
 &end
#
#   29 ASP  HB+          24 GLU  HB-         2.80    (#   1429:20  Unique         2.78, 4.71 A)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 463, 464,
 igr2= 387, 388,
 &end
#
#    7 THR  MG2          24 GLU  HB-         5.50    (#   1430:20  Unique         3.18, 4.68 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 108, 109, 110,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:1431     0 AMB  20-1:1431   5.50    (#   1431:20  Double Ambig)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 373, 374, 375, 377, 378, 379, 354, 355, 356, 358,
       359, 360,
 igr2= 387, 388, 387, 388,
 &end
#
#    0 AMB  20-2:1432    24 GLU  HB-         4.50    (#   1432:20  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 373, 374, 375, 377, 378, 379, 354, 355, 356, 358,
       359, 360,
 igr2= 387, 388,
 &end
#
#   31 TRP  HE1          24 GLU  HG+         3.50    (#   1433:20  Unique         3.36, 5.33 A)
 &rst
  ixpk= 1433, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 390, 391,
 &end
#
#   31 TRP  HE1          24 GLU  HG-         5.50    (#   1434:20  Unique         3.36, 5.33 A)
 &rst
  ixpk= 1434, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 390, 391,
 &end
#
#   24 GLU  HN           24 GLU  HG+         3.50    (#   1435:20  Unique         2.40, 3.10 A)
 &rst
  ixpk= 1435, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 390, 391,
 &end
#
#   24 GLU  HN           24 GLU  HG-         3.50    (#   1436:20  Unique         2.40, 3.10 A)
 &rst
  ixpk= 1436, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 390, 391,
 &end
#
#   31 TRP  HD1          24 GLU  HG+         3.50    (#   1437:20  Preassigned    3.07, 5.16 A)
 &rst
  ixpk= 1437, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 390, 391,
 &end
#
#   31 TRP  HD1          24 GLU  HG-         3.50    (#   1438:20  Preassigned    3.07, 5.16 A)
 &rst
  ixpk= 1438, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 390, 391,
 &end
#
#   29 ASP  HN           24 GLU  HG+         5.50    (#   1439:20  Unique         2.83, 4.23 A)
 &rst
  ixpk= 1439, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 390, 391,
 &end
#
#   29 ASP  HN           24 GLU  HG-         5.50    (#   1440:20  Unique         2.83, 4.23 A)
 &rst
  ixpk= 1440, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 390, 391,
 &end
#
#   23 LEU  HA           24 GLU  HG+         5.50    (#   1441:20  Unique         3.53, 4.44 A)
 &rst
  ixpk= 1441, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 390, 391,
 &end
#
#   23 LEU  HA           24 GLU  HG-         5.50    (#   1442:20  Unique         3.53, 4.44 A)
 &rst
  ixpk= 1442, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 390, 391,
 &end
#
#    7 THR  MG2          24 GLU  HG+         3.50    (#   1445:20  Unique         2.00, 3.28 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 108, 109, 110,
 igr2= 390, 391,
 &end
#
#    7 THR  MG2          24 GLU  HG-         2.80    (#   1446:20  Unique         2.00, 3.28 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 108, 109, 110,
 igr2= 390, 391,
 &end
#
#   22 VAL  MGX          24 GLU  HG+         3.50    (#   1447:20  Preassigned    2.78, 5.70 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 390, 391,
 &end
#
#   22 VAL  MGX          24 GLU  HG-         3.50    (#   1448:20  Preassigned    2.78, 5.70 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:1450    23 LEU  HA          2.80    (#   1450:20  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 383, 364,
 &end
#
#   23 LEU  HB+          23 LEU  HA          3.50    (#   1451:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#   23 LEU  HB-          23 LEU  HA          3.50    (#   1452:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#   30 VAL  HB           23 LEU  HA          4.50    (#   1453:20  Preassigned    3.20, 3.61 A)
 &rst
  ixpk= 1453, nxpk= 20, iat= 475, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 LEU  MDX          23 LEU  HA          2.80    (#   1454:20  Unique         2.00, 3.56 A)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  HN           23 LEU  HB+         3.50    (#   1455:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1455, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   23 LEU  HN           23 LEU  HB-         3.50    (#   1456:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   10 TRP  HZ3          23 LEU  HB+         5.50    (#   1457:20  Unique         2.00, 8.88 A)
 &rst
  ixpk= 1457, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#   10 TRP  HZ3          23 LEU  HB-         3.50    (#   1458:20  Unique         2.00, 8.88 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   23 LEU  HA           23 LEU  HB+         5.50    (#   1459:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1459, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#   23 LEU  HA           23 LEU  HB-         3.50    (#   1460:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1460, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    0 AMB  20-2:1461     0 AMB  20-1:1461   4.50    (#   1461:20  Double Ambig)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 371, 475,
 igr2= 368, 369, 368, 369,
 &end
#
#    0 AMB  20-2:1462    23 LEU  HB-         5.50    (#   1462:20  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 371, 475,
 igr2= 368, 369,
 &end
#
#   23 LEU  MDX          23 LEU  HB+         5.50    (#   1463:20  Unique         2.13, 3.41 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 368, 369,
 &end
#
#   23 LEU  MDX          23 LEU  HB-         3.50    (#   1464:20  Unique         2.13, 3.41 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 368, 369,
 &end
#
#   23 LEU  MDY          23 LEU  HB-         2.80    (#   1465:20  Unique         2.13, 3.41 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 368, 369,
 &end
#
#   23 LEU  MDY          23 LEU  HB+         3.50    (#   1466:20  Unique         2.13, 3.41 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 368, 369,
 &end
#
#   24 GLU  HN           23 LEU  MDX         2.80    (#   1467:20  Unique         2.02, 3.76 A)
 &rst
  ixpk= 1467, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 MET  HN           23 LEU  MDX         3.50    (#   1468:20  Preassigned    4.51, 6.10 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  HA           23 LEU  MDX         2.80    (#   1469:20  Unique         2.00, 3.56 A)
 &rst
  ixpk= 1469, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 MET  HA           23 LEU  MDX         2.80    (#   1470:20  Unique         3.39, 4.93 A)
 &rst
  ixpk= 1470, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   25 LYS  HA           23 LEU  MDX         3.50    (#   1471:20  Unique         3.13, 5.01 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 MET  ME           23 LEU  MDX         2.80    (#   1472:20  Unique         3.46, 5.63 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 453, 454, 455,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    8 ASN  HB+          23 LEU  MDX         3.50    (#   1473:20  Unique         2.66, 5.76 A)
 &rst
  ixpk= 1473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 120, 121,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  HB+          23 LEU  MDX         3.50    (#   1474:20  Unique         2.13, 3.41 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 368, 369,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  20-2:1476    23 LEU  MDX         2.80    (#   1476:20  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 936, 937, 368, 369,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   30 VAL  MGX          23 LEU  MDX         3.50    (#   1477:20  Unique         2.69, 6.20 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   29 ASP  HA           23 LEU  MDX         4.50    (#   1478:20  Unique         4.33, 6.27 A)
 &rst
  ixpk= 1478, nxpk= 20, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   24 GLU  HN           23 LEU  MDY         5.50    (#   1479:20  Unique         2.02, 3.76 A)
 &rst
  ixpk= 1479, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   10 TRP  HZ2          23 LEU  MDY         5.50    (#   1480:20  Unique         4.13,11.84 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  20-2:1481    23 LEU  MDY         2.80    (#   1481:20  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1163, 159,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   52 PHE  HE           23 LEU  MDY         5.50    (#   1482:20  Unique         3.78, 7.98 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 804, 808,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  HA           23 LEU  MDY         5.50    (#   1483:20  Unique         2.00, 3.56 A)
 &rst
  ixpk= 1483, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   75 HIS  HB+          23 LEU  MDY         5.50    (#   1486:20  Unique         2.37, 5.21 A)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1154,1155,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  20-2:1487    23 LEU  MDY         3.50    (#   1487:20  Single Ambig)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1154,1155, 411, 412, 411, 412,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  HB+          23 LEU  MDY         2.80    (#   1488:20  Unique         2.13, 3.41 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 368, 369,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    8 ASN  HB-          23 LEU  MDY         4.50    (#   1489:20  Unique         2.66, 5.76 A)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 120, 121,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  HB-          23 LEU  MDY         2.80    (#   1490:20  Unique         2.13, 3.41 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 368, 369,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   61 ILE  QG2          23 LEU  MDY         2.80    (#   1492:20  Unique         2.31, 5.52 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 932, 933, 934,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   77 LEU  MDX          23 LEU  MDY         5.50    (#   1493:20  Unique         2.26, 7.55 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   10 TRP  HN           22 VAL  HA          4.50    (#   1495:20  Unique         3.56, 3.86 A)
 &rst
  ixpk= 1495, nxpk= 20, iat= 144, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 VAL  HN           22 VAL  HA          2.80    (#   1496:20  Unique         2.91, 2.94 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 348, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 LEU  HN           22 VAL  HA          2.80    (#   1497:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 1497, nxpk= 20, iat= 364, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 THR  HA           22 VAL  HA          2.80    (#   1498:20  Unique         2.43, 2.60 A)
 &rst
  ixpk= 1498, nxpk= 20, iat= 132, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 VAL  HB           22 VAL  HA          3.50    (#   1499:20  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1499, nxpk= 20, iat= 352, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 VAL  MGY          22 VAL  HA          2.80    (#   1500:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   22 VAL  MGX          22 VAL  HA          2.80    (#   1501:20  Preassigned    2.27, 3.11 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   22 VAL  HN           22 VAL  HB          2.80    (#   1502:20  Preassigned    2.64, 2.74 A)
 &rst
  ixpk= 1502, nxpk= 20, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 VAL  HA           22 VAL  HB          3.50    (#   1503:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1503, nxpk= 20, iat= 350, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 TRP  HB+          22 VAL  HB          2.80    (#   1504:20  Unique         2.00, 2.89 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 491, 492,
 &end
#
#   31 TRP  HB-          22 VAL  HB          2.80    (#   1505:20  Unique         2.00, 2.89 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 491, 492,
 &end
#
#   22 VAL  MGY          22 VAL  HB          2.80    (#   1506:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   22 VAL  MGX          22 VAL  HB          2.80    (#   1507:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   31 TRP  HN           22 VAL  MGX         4.50    (#   1508:20  Unique         4.01, 5.48 A)
 &rst
  ixpk= 1508, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  20-2:1509     0 AMB  20-1:1509   2.80    (#   1509:20  Double Ambig)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 364, 184,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#    0 AMB  20-2:1510     0 AMB  20-1:1510   2.80    (#   1510:20  Double Ambig)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 170, 350,
 igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
       359, 360,
 &end
#
#   22 VAL  HN           22 VAL  MGY         2.80    (#   1511:20  Preassigned    2.68, 4.17 A)
 &rst
  ixpk= 1511, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  20-2:1512     0 AMB  20-1:1512   2.80    (#   1512:20  Double Ambig)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 170, 350,
 igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
       359, 360,
 &end
#
#   21 ILE  HN           20 ARG  HA          2.80    (#   1514:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 1514, nxpk= 20, iat= 329, 307, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ARG  HN           20 ARG  HA          2.80    (#   1515:20  Unique         2.85, 2.90 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 305, 307, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1516    20 ARG  HA          4.50    (#   1516:20  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 315, 316, 315, 316,
 &end
#
#   20 ARG  HB+          20 ARG  HA          2.80    (#   1517:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 309, 310,
 &end
#
#   20 ARG  HB-          20 ARG  HA          2.80    (#   1518:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 309, 310,
 &end
#
#   20 ARG  HG-          20 ARG  HA          3.50    (#   1519:20  Unique         2.28, 2.87 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 312, 313,
 &end
#
#   20 ARG  HG+          20 ARG  HA          3.50    (#   1520:20  Unique         2.28, 2.87 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 312, 313,
 &end
#
#    0 AMB  20-2:1521    20 ARG  HA          3.50    (#   1521:20  Single Ambig)
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 342, 343, 344, 174, 175, 176, 178, 179, 180,
 &end
#
#   21 ILE  HN           20 ARG  HB+         5.50    (#   1522:20  Unique         3.29, 4.12 A)
 &rst
  ixpk= 1522, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 309, 310,
 &end
#
#   21 ILE  HN           20 ARG  HB-         5.50    (#   1523:20  Unique         3.29, 4.12 A)
 &rst
  ixpk= 1523, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 309, 310,
 &end
#
#   20 ARG  HN           20 ARG  HB+         2.80    (#   1524:20  Unique         2.19, 2.66 A)
 &rst
  ixpk= 1524, nxpk= 20, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 309, 310,
 &end
#
#   20 ARG  HN           20 ARG  HB-         2.80    (#   1525:20  Unique         2.19, 2.66 A)
 &rst
  ixpk= 1525, nxpk= 20, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 309, 310,
 &end
#
#   20 ARG  HA           20 ARG  HB+         2.80    (#   1526:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1526, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 309, 310,
 &end
#
#   20 ARG  HA           20 ARG  HB-         2.80    (#   1527:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1527, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 309, 310,
 &end
#
#    0 AMB  20-2:1530     0 AMB  20-1:1530   2.80    (#   1530:20  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 315, 316, 315, 316,
 igr2= 309, 310, 309, 310,
 &end
#
#    0 AMB  20-2:1531    20 ARG  HB-         2.80    (#   1531:20  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 315, 316, 315, 316,
 igr2= 309, 310,
 &end
#
#   20 ARG  HG-          20 ARG  HB+         2.80    (#   1532:20  Unique         2.28, 2.70 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 312, 313,
 igr2= 309, 310,
 &end
#
#   20 ARG  HG-          20 ARG  HB-         2.80    (#   1533:20  Unique         2.28, 2.70 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 312, 313,
 igr2= 309, 310,
 &end
#
#   21 ILE  HN           20 ARG  HG+         5.50    (#   1534:20  Unique         2.17, 3.28 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 312, 313,
 &end
#
#   21 ILE  HN           20 ARG  HG-         5.50    (#   1535:20  Unique         2.17, 3.28 A)
 &rst
  ixpk= 1535, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 312, 313,
 &end
#
#   20 ARG  HA           20 ARG  HG+         2.80    (#   1536:20  Unique         2.28, 2.87 A)
 &rst
  ixpk= 1536, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 312, 313,
 &end
#
#   20 ARG  HA           20 ARG  HG-         2.80    (#   1537:20  Unique         2.28, 2.87 A)
 &rst
  ixpk= 1537, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 312, 313,
 &end
#
#    0 AMB  20-2:1538     0 AMB  20-1:1538   2.80    (#   1538:20  Double Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 315, 316, 315, 316,
 igr2= 312, 313, 312, 313,
 &end
#
#    0 AMB  20-2:1539    20 ARG  HG-         2.80    (#   1539:20  Single Ambig)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 315, 316, 315, 316,
 igr2= 312, 313,
 &end
#
#   20 ARG  HB+          20 ARG  HG+         2.80    (#   1540:20  Unique         2.28, 2.70 A)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 309, 310,
 igr2= 312, 313,
 &end
#
#   20 ARG  HB+          20 ARG  HG-         2.80    (#   1541:20  Unique         2.28, 2.70 A)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 309, 310,
 igr2= 312, 313,
 &end
#
#   20 ARG  HA            0 AMB  20-1:1542   2.80    (#   1542:20  Single Ambig)
 &rst
  ixpk= 1542, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 315, 316, 315, 316,
 &end
#
#   69 ARG  HA            0 AMB  20-1:1545   2.80    (#   1545:20  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 20, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1054,1055,1054,1055,
 &end
#
#    0 AMB  20-2:1546     0 AMB  20-1:1546   2.80    (#   1546:20  Double Ambig)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 309, 310, 309, 310,   8,   9,
 igr2= 315, 316, 315, 316,  41,  42,
 &end
#
#    0 AMB  20-2:1547     0 AMB  20-1:1547   2.80    (#   1547:20  Double Ambig)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  35,  36,1048,1049,1048,1049,   8,   9,
 igr2=  41,  42,1054,1055,1054,1055,
 &end
#
#    0 AMB  20-2:1548     0 AMB  20-1:1548   2.80    (#   1548:20  Double Ambig)
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=  35,  36,1048,1049, 309, 310,
 igr2=  41,  42,1054,1055,1054,1055, 315, 316, 315, 316,
      
 &end
#
#    0 AMB  20-2:1549     0 AMB  20-1:1549   2.80    (#   1549:20  Double Ambig)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  38,  39,1051,1052,1051,1052,1051,1052,
 igr2=  41,  42,1054,1055,1054,1055,1054,1055,
 &end
#
#    0 AMB  20-2:1550     0 AMB  20-1:1550   2.80    (#   1550:20  Double Ambig)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 312, 313, 312, 313,1075,1076,1075,1076,1075,1076,
      
 igr2= 315, 316, 315, 316,1054,1055,1054,1055,1054,1055,
      
 &end
#
#   20 ARG  HG-           0 AMB  20-1:1551   2.80    (#   1551:20  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 312, 313,
 igr2= 315, 316, 315, 316,
 &end
#
#    0 AMB  20-2:1552     0 AMB  20-1:1552   2.80    (#   1552:20  Double Ambig)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 igr2= 315, 316, 315, 316, 315, 316,
 &end
#
#   19 PHE  HN           19 PHE  HB+         3.50    (#   1553:20  Unique         2.22, 3.17 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 289, 290,
 &end
#
#   19 PHE  HN           19 PHE  HB-         3.50    (#   1554:20  Unique         2.22, 3.17 A)
 &rst
  ixpk= 1554, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 289, 290,
 &end
#
#   19 PHE  HD           19 PHE  HB+         2.80    (#   1555:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 293, 301,
 igr2= 289, 290,
 &end
#
#   19 PHE  HD           19 PHE  HB-         2.80    (#   1556:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 293, 301,
 igr2= 289, 290,
 &end
#
#   19 PHE  HA           19 PHE  HB+         3.50    (#   1557:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 1557, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 289, 290,
 &end
#
#   19 PHE  HA           19 PHE  HB-         4.50    (#   1558:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 1558, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1559     0 AMB  20-1:1559   3.50    (#   1559:20  Double Ambig)
 &rst
  ixpk= 1559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 342, 343, 344, 193, 194, 195, 197, 198, 199,
 igr2= 289, 290, 289, 290,
 &end
#
#    0 AMB  20-2:1560    19 PHE  HB-         3.50    (#   1560:20  Single Ambig)
 &rst
  ixpk= 1560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 342, 343, 344, 193, 194, 195, 197, 198, 199,
 igr2= 289, 290,
 &end
#
#   54 ILE  QD1          19 PHE  HB+         5.50    (#   1561:20  Unique         2.41, 5.24 A)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 838, 839, 840,
 igr2= 289, 290,
 &end
#
#   19 PHE  HN           18 ASN  HA          2.80    (#   1562:20  Unique         2.14, 2.23 A)
 &rst
  ixpk= 1562, nxpk= 20, iat= 285, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 MET  HN           18 ASN  HA          3.50    (#   1563:20  Unique         2.29, 3.87 A)
 &rst
  ixpk= 1563, nxpk= 20, iat= 220, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ASN  HN           18 ASN  HA          2.80    (#   1564:20  Unique         2.81, 2.92 A)
 &rst
  ixpk= 1564, nxpk= 20, iat= 271, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 PHE  HD           18 ASN  HA          4.50    (#   1565:20  Unique         2.77, 4.95 A)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 293, 301,
 &end
#
#   13 HIS  HA           18 ASN  HA          2.80    (#   1566:20  Unique         2.05, 2.68 A)
 &rst
  ixpk= 1566, nxpk= 20, iat= 205, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 PHE  HB+          18 ASN  HA          5.50    (#   1567:20  Unique         4.32, 5.12 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 289, 290,
 &end
#
#   18 ASN  HB+          18 ASN  HA          2.80    (#   1568:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 275, 276,
 &end
#
#   18 ASN  HB-          18 ASN  HA          2.80    (#   1569:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 275, 276,
 &end
#
#   19 PHE  HN           18 ASN  HB+         3.50    (#   1570:20  Unique         2.40, 3.64 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 275, 276,
 &end
#
#   19 PHE  HN           18 ASN  HB-         3.50    (#   1571:20  Unique         2.40, 3.64 A)
 &rst
  ixpk= 1571, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 275, 276,
 &end
#
#   18 ASN  HN           18 ASN  HB+         2.80    (#   1572:20  Unique         2.19, 3.04 A)
 &rst
  ixpk= 1572, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 275, 276,
 &end
#
#   18 ASN  HN           18 ASN  HB-         2.80    (#   1573:20  Unique         2.19, 3.04 A)
 &rst
  ixpk= 1573, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 275, 276,
 &end
#
#   18 ASN  HD2+         18 ASN  HB-         5.50    (#   1574:20  Unique         2.12, 3.27 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 280, 281,
 igr2= 275, 276,
 &end
#
#   18 ASN  HD2+         18 ASN  HB+         5.50    (#   1575:20  Unique         2.12, 3.27 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 280, 281,
 igr2= 275, 276,
 &end
#
#   18 ASN  HA           18 ASN  HB+         2.80    (#   1576:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1576, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 275, 276,
 &end
#
#   18 ASN  HA           18 ASN  HB-         2.80    (#   1577:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1577, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 275, 276,
 &end
#
#   17 GLU  HA           18 ASN  HB+         5.50    (#   1580:20  Unique         4.28, 5.06 A)
 &rst
  ixpk= 1580, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 275, 276,
 &end
#
#   17 GLU  HA           18 ASN  HB-         5.50    (#   1581:20  Unique         4.28, 5.06 A)
 &rst
  ixpk= 1581, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 275, 276,
 &end
#
#   11 VAL  MGX          18 ASN  HB+         3.50    (#   1582:20  Unique         2.08, 5.50 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 174, 175, 176, 178, 179, 180,
 igr2= 275, 276,
 &end
#
#   11 VAL  MGX          18 ASN  HB-         3.50    (#   1583:20  Unique         2.08, 5.50 A)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 174, 175, 176, 178, 179, 180,
 igr2= 275, 276,
 &end
#
#   18 ASN  HN           17 GLU  HA          2.80    (#   1584:20  Unique         2.17, 2.39 A)
 &rst
  ixpk= 1584, nxpk= 20, iat= 271, 258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 GLU  HN           17 GLU  HA          2.80    (#   1585:20  Unique         2.76, 2.87 A)
 &rst
  ixpk= 1585, nxpk= 20, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ASN  HB+          17 GLU  HA          4.50    (#   1586:20  Unique         4.28, 5.06 A)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 275, 276,
 &end
#
#   17 GLU  HG+          17 GLU  HA          2.80    (#   1587:20  Unique         2.37, 3.25 A)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 263, 264,
 &end
#
#   17 GLU  HG-          17 GLU  HA          2.80    (#   1588:20  Unique         2.37, 3.25 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 263, 264,
 &end
#
#   17 GLU  HB+          17 GLU  HA          3.50    (#   1589:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 260, 261,
 &end
#
#   17 GLU  HB-          17 GLU  HA          2.80    (#   1590:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 260, 261,
 &end
#
#   18 ASN  HN           17 GLU  HB+         2.80    (#   1592:20  Unique         2.01, 3.17 A)
 &rst
  ixpk= 1592, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 260, 261,
 &end
#
#   18 ASN  HN           17 GLU  HB-         2.80    (#   1593:20  Unique         2.01, 3.17 A)
 &rst
  ixpk= 1593, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 260, 261,
 &end
#
#   17 GLU  HN           17 GLU  HB+         3.50    (#   1594:20  Unique         2.19, 3.12 A)
 &rst
  ixpk= 1594, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 260, 261,
 &end
#
#   17 GLU  HN           17 GLU  HB-         2.80    (#   1595:20  Unique         2.19, 3.12 A)
 &rst
  ixpk= 1595, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 260, 261,
 &end
#
#   19 PHE  HE           17 GLU  HB+         3.50    (#   1596:20  Unique         2.71, 5.36 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 299,
 igr2= 260, 261,
 &end
#
#   19 PHE  HE           17 GLU  HB-         3.50    (#   1597:20  Unique         2.71, 5.36 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 299,
 igr2= 260, 261,
 &end
#
#   19 PHE  HZ           17 GLU  HB+         2.80    (#   1598:20  Unique         3.15, 4.99 A)
 &rst
  ixpk= 1598, nxpk= 20, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 260, 261,
 &end
#
#   19 PHE  HZ           17 GLU  HB-         2.80    (#   1599:20  Unique         3.15, 4.99 A)
 &rst
  ixpk= 1599, nxpk= 20, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 260, 261,
 &end
#
#   17 GLU  HA           17 GLU  HB+         2.80    (#   1600:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1600, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 260, 261,
 &end
#
#   17 GLU  HA           17 GLU  HB-         2.80    (#   1601:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1601, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 260, 261,
 &end
#
#   18 ASN  HN           17 GLU  HG+         4.50    (#   1602:20  Unique         3.34, 4.31 A)
 &rst
  ixpk= 1602, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 263, 264,
 &end
#
#   18 ASN  HN           17 GLU  HG-         3.50    (#   1603:20  Unique         3.34, 4.31 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 263, 264,
 &end
#
#   17 GLU  HN           17 GLU  HG+         3.50    (#   1604:20  Unique         2.10, 3.23 A)
 &rst
  ixpk= 1604, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 263, 264,
 &end
#
#   17 GLU  HN           17 GLU  HG-         3.50    (#   1605:20  Unique         2.10, 3.23 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 263, 264,
 &end
#
#   17 GLU  HA           17 GLU  HG+         3.50    (#   1606:20  Unique         2.37, 3.25 A)
 &rst
  ixpk= 1606, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 263, 264,
 &end
#
#   17 GLU  HA           17 GLU  HG-         3.50    (#   1607:20  Unique         2.37, 3.25 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 263, 264,
 &end
#
#   17 GLU  HB-          17 GLU  HG+         2.80    (#   1608:20  Preassigned    2.26, 2.69 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 260, 261,
 igr2= 263, 264,
 &end
#
#   17 GLU  HB-          17 GLU  HG-         2.80    (#   1609:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 260, 261,
 igr2= 263, 264,
 &end
#
#   17 GLU  HB+          17 GLU  HG+         2.80    (#   1610:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 260, 261,
 igr2= 263, 264,
 &end
#
#   17 GLU  HB+          17 GLU  HG-         2.80    (#   1611:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 260, 261,
 igr2= 263, 264,
 &end
#
#   16 GLY  HN           16 GLY  HA+         2.80    (#   1612:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1612, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 251, 252,
 &end
#
#   16 GLY  HN           16 GLY  HA-         2.80    (#   1613:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1613, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 251, 252,
 &end
#
#   17 GLU  HN           16 GLY  HA+         5.50    (#   1614:20  Unique         2.38, 3.10 A)
 &rst
  ixpk= 1614, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 251, 252,
 &end
#
#   17 GLU  HN           16 GLY  HA-         3.50    (#   1615:20  Unique         2.38, 3.10 A)
 &rst
  ixpk= 1615, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 251, 252,
 &end
#
#   18 ASN  HD2+         16 GLY  HA-         5.50    (#   1616:20  Unique         4.73, 8.57 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 280, 281,
 igr2= 251, 252,
 &end
#
#   15 ASP  HN           15 ASP  HA          2.80    (#   1617:20  Unique         2.27, 2.84 A)
 &rst
  ixpk= 1617, nxpk= 20, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 GLY  HN           15 ASP  HA          4.50    (#   1618:20  Unique         2.15, 2.90 A)
 &rst
  ixpk= 1618, nxpk= 20, iat= 249, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1620    15 ASP  HA          2.80    (#   1620:20  Single Ambig)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 241, 242, 241, 242,
 &end
#
#    0 AMB  20-2:1621     0 AMB  20-1:1621   4.50    (#   1621:20  Double Ambig)
 &rst
  ixpk= 1621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 213, 878,
 igr2= 241, 242, 241, 242, 241, 242,
 &end
#
#   15 ASP  HA            0 AMB  20-1:1623   2.80    (#   1623:20  Single Ambig)
 &rst
  ixpk= 1623, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 241, 242, 241, 242,
 &end
#
#   14 MET  HN           14 MET  HB+         3.50    (#   1624:20  Unique         2.21, 3.13 A)
 &rst
  ixpk= 1624, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 224, 225,
 &end
#
#   14 MET  HN           14 MET  HB-         5.50    (#   1625:20  Unique         2.21, 3.13 A)
 &rst
  ixpk= 1625, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 224, 225,
 &end
#
#   19 PHE  HE           14 MET  HB+         4.50    (#   1626:20  Unique         2.01, 5.47 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 295, 299,
 igr2= 224, 225,
 &end
#
#   19 PHE  HE           14 MET  HB-         4.50    (#   1627:20  Unique         2.01, 5.47 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 295, 299,
 igr2= 224, 225,
 &end
#
#   14 MET  HA           14 MET  HB+         2.80    (#   1628:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 224, 225,
 &end
#
#   14 MET  HA           14 MET  HB-         2.80    (#   1629:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1629, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 224, 225,
 &end
#
#    0 AMB  20-2:1630     0 AMB  20-1:1630   5.50    (#   1630:20  Double Ambig)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 241, 242, 241, 242,
 igr2= 224, 225, 224, 225,
 &end
#
#    0 AMB  20-2:1631    14 MET  HB-         5.50    (#   1631:20  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 241, 242, 241, 242,
 igr2= 224, 225,
 &end
#
#   14 MET  ME           14 MET  HB+         3.50    (#   1632:20  Unique         2.26, 4.08 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 231, 232, 233,
 igr2= 224, 225,
 &end
#
#   14 MET  ME           14 MET  HB-         3.50    (#   1633:20  Unique         2.26, 4.08 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 231, 232, 233,
 igr2= 224, 225,
 &end
#
#    0 AMB  20-2:1634     0 AMB  20-1:1634   4.50    (#   1634:20  Double Ambig)
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 igr2= 224, 225, 224, 225,
 &end
#
#    0 AMB  20-2:1635    14 MET  HB-         4.50    (#   1635:20  Single Ambig)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 igr2= 224, 225,
 &end
#
#   14 MET  HN           14 MET  HG+         5.50    (#   1636:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 1636, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 227, 228,
 &end
#
#   14 MET  HN           14 MET  HG-         4.50    (#   1637:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 1637, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#    0 AMB  20-2:1638     0 AMB  20-1:1638   5.50    (#   1638:20  Double Ambig)
 &rst
  ixpk= 1638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 295, 299, 878,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  20-2:1639    14 MET  HG-         5.50    (#   1639:20  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 295, 299, 878,
 igr2= 227, 228,
 &end
#
#   14 MET  HA           14 MET  HG+         5.50    (#   1640:20  Unique         2.18, 2.96 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 227, 228,
 &end
#
#   14 MET  HA           14 MET  HG-         4.50    (#   1641:20  Unique         2.18, 2.96 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#   14 MET  ME           14 MET  HG+         2.80    (#   1642:20  Unique         2.03, 3.50 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 231, 232, 233,
 igr2= 227, 228,
 &end
#
#   14 MET  ME           14 MET  HG-         2.80    (#   1643:20  Unique         2.03, 3.50 A)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 231, 232, 233,
 igr2= 227, 228,
 &end
#
#   14 MET  HB+          14 MET  HG+         2.80    (#   1644:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 224, 225,
 igr2= 227, 228,
 &end
#
#   14 MET  HB+          14 MET  HG-         2.80    (#   1645:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 224, 225,
 igr2= 227, 228,
 &end
#
#   14 MET  HN           14 MET  ME          5.50    (#   1646:20  Unique         3.61, 5.66 A)
 &rst
  ixpk= 1646, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:1647    14 MET  ME          3.50    (#   1647:20  Single Ambig)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 878, 295, 299,
 igr2= 231, 232, 233,
 &end
#
#   19 PHE  HD           14 MET  ME          3.50    (#   1648:20  Unique         2.48, 6.41 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 293, 301,
 igr2= 231, 232, 233,
 &end
#
#   14 MET  HA           14 MET  ME          5.50    (#   1650:20  Unique         2.02, 5.22 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 231, 232, 233,
 &end
#
#   57 HIS  HB+          14 MET  ME          4.50    (#   1651:20  Unique         2.16, 5.14 A)
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 869, 870,
 igr2= 231, 232, 233,
 &end
#
#   14 MET  HG+          14 MET  ME          2.80    (#   1652:20  Unique         2.03, 3.50 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 227, 228,
 igr2= 231, 232, 233,
 &end
#
#   14 MET  HG-          14 MET  ME          2.80    (#   1653:20  Unique         2.03, 3.50 A)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 227, 228,
 igr2= 231, 232, 233,
 &end
#
#   14 MET  HB+          14 MET  ME          3.50    (#   1654:20  Unique         2.26, 4.08 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 224, 225,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:1655    14 MET  ME          3.50    (#   1655:20  Single Ambig)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 224, 225, 188, 189,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:1656    14 MET  ME          2.80    (#   1656:20  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 igr2= 231, 232, 233,
 &end
#
#   54 ILE  QD1          14 MET  ME          5.50    (#   1657:20  Unique         2.11, 4.93 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 838, 839, 840,
 igr2= 231, 232, 233,
 &end
#
#   54 ILE  QG2          14 MET  ME          4.50    (#   1658:20  Unique         2.00, 4.00 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 831, 832, 833,
 igr2= 231, 232, 233,
 &end
#
#   19 PHE  HN           13 HIS  HA          3.50    (#   1659:20  Unique         2.87, 3.57 A)
 &rst
  ixpk= 1659, nxpk= 20, iat= 285, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 HIS  HN           13 HIS  HA          2.80    (#   1660:20  Unique         2.89, 2.93 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 203, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 MET  HN           13 HIS  HA          2.80    (#   1661:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 1661, nxpk= 20, iat= 220, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ASN  HA           13 HIS  HA          2.80    (#   1662:20  Unique         2.05, 2.68 A)
 &rst
  ixpk= 1662, nxpk= 20, iat= 273, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 HIS  HB+          13 HIS  HA          2.80    (#   1663:20  Unique         2.36, 2.54 A)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 207, 208,
 &end
#
#   13 HIS  HB-          13 HIS  HA          2.80    (#   1665:20  Unique         2.36, 2.54 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 207, 208,
 &end
#
#   14 MET  HN           13 HIS  HB+         4.50    (#   1666:20  Unique         3.13, 4.00 A)
 &rst
  ixpk= 1666, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 207, 208,
 &end
#
#   14 MET  HN           13 HIS  HB-         4.50    (#   1667:20  Unique         3.13, 4.00 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:1668    13 HIS  HB-         3.50    (#   1668:20  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 280, 281, 216,
 igr2= 207, 208,
 &end
#
#   13 HIS  HA           13 HIS  HB+         2.80    (#   1669:20  Unique         2.36, 2.54 A)
 &rst
  ixpk= 1669, nxpk= 20, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 207, 208,
 &end
#
#   13 HIS  HA           13 HIS  HB-         2.80    (#   1670:20  Unique         2.36, 2.54 A)
 &rst
  ixpk= 1670, nxpk= 20, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 207, 208,
 &end
#
#   12 LEU  HN           12 LEU  HB+         5.50    (#   1671:20  Unique         2.57, 2.99 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 188, 189,
 &end
#
#   12 LEU  HN           12 LEU  HB-         3.50    (#   1672:20  Unique         2.57, 2.99 A)
 &rst
  ixpk= 1672, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 188, 189,
 &end
#
#   19 PHE  HB-          12 LEU  HB+         4.50    (#   1675:20  Unique         2.45, 4.99 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 289, 290,
 igr2= 188, 189,
 &end
#
#   19 PHE  HB-          12 LEU  HB-         3.50    (#   1676:20  Unique         2.45, 4.99 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 289, 290,
 igr2= 188, 189,
 &end
#
#    0 AMB  20-2:1677     0 AMB  20-1:1677   2.80    (#   1677:20  Double Ambig)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 193, 194, 195, 197, 198, 199, 191, 342, 343, 344,
      
 igr2= 188, 189, 188, 189, 188, 189,
 &end
#
#    0 AMB  20-2:1678    12 LEU  HB-         2.80    (#   1678:20  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 193, 194, 195, 197, 198, 199, 191, 342, 343, 344,
      
 igr2= 188, 189,
 &end
#
#   12 LEU  HN           12 LEU  MDX         5.50    (#   1679:20  Unique         4.34, 5.49 A)
 &rst
  ixpk= 1679, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#    3 ARG  HA            3 ARG  HG-         2.80    (#   1681:20  Unique         2.30, 3.27 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  38,  39,
 &end
#
#   12 LEU  HN           12 LEU  MDY         3.50    (#   1683:20  Unique         4.34, 5.49 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#    0 AMB  20-2:1685    12 LEU  MDY         4.50    (#   1685:20  Single Ambig)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 289, 290,1239,1240,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#   12 LEU  HB+          12 LEU  MDY         2.80    (#   1686:20  Unique         2.01, 3.27 A)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 188, 189,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#    0 AMB  20-2:1687    12 LEU  MDY         2.80    (#   1687:20  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 188, 189,1223,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#   14 MET  ME           12 LEU  MDY         2.80    (#   1689:20  Unique         2.00, 5.59 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 231, 232, 233,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#   77 LEU  MDY          12 LEU  MDY         2.80    (#   1690:20  Unique         3.57, 7.80 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#   21 ILE  HN           11 VAL  HA          4.50    (#   1692:20  Unique         3.26, 3.72 A)
 &rst
  ixpk= 1692, nxpk= 20, iat= 329, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LEU  HN           11 VAL  HA          2.80    (#   1694:20  Unique         2.17, 2.19 A)
 &rst
  ixpk= 1694, nxpk= 20, iat= 184, 170, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 VAL  HN           11 VAL  HA          2.80    (#   1695:20  Unique         2.90, 2.94 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 168, 170, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 VAL  HB           11 VAL  HA          2.80    (#   1696:20  Unique         2.43, 2.48 A)
 &rst
  ixpk= 1696, nxpk= 20, iat= 172, 170, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 VAL  MGY          11 VAL  HA          2.80    (#   1697:20  Unique         2.25, 3.46 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 174, 175, 176, 178, 179, 180,
 &end
#
#    0 AMB  20-2:1698    11 VAL  HA          2.80    (#   1698:20  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 174, 175, 176, 178, 179, 180, 342, 343, 344,1361,
      1362,1363,
 &end
#
#   11 VAL  HN           11 VAL  HB          3.50    (#   1699:20  Unique         2.64, 2.92 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 VAL  HA           11 VAL  HB          2.80    (#   1700:20  Unique         2.43, 2.48 A)
 &rst
  ixpk= 1700, nxpk= 20, iat= 170, 172, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 TRP  HA           11 VAL  HB          4.50    (#   1701:20  Unique         4.33, 4.41 A)
 &rst
  ixpk= 1701, nxpk= 20, iat= 146, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 VAL  MGY          11 VAL  HB          2.80    (#   1702:20  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 174, 175, 176, 178, 179, 180,
 &end
#
#   11 VAL  MGX          11 VAL  HB          2.80    (#   1703:20  Preassigned    2.22, 2.63 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 174, 175, 176, 178, 179, 180,
 &end
#
#   11 VAL  HN           11 VAL  MGX         2.80    (#   1704:20  Unique         1.96, 3.82 A)
 &rst
  ixpk= 1704, nxpk= 20, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 174, 175, 176, 178, 179, 180,
 &end
#
#    7 THR  HB           22 VAL  MGX         2.80    (#   1705:20  Unique         2.01, 3.85 A)
 &rst
  ixpk= 1705, nxpk= 20, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  20-2:1706     0 AMB  20-1:1706   2.80    (#   1706:20  Double Ambig)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 352, 172,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#   11 VAL  HN           11 VAL  MGY         2.80    (#   1707:20  Unique         1.96, 3.82 A)
 &rst
  ixpk= 1707, nxpk= 20, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 174, 175, 176, 178, 179, 180,
 &end
#
#    0 AMB  20-2:1708     0 AMB  20-1:1708   2.80    (#   1708:20  Double Ambig)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 170, 350,
 igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
       359, 360,
 &end
#
#   18 ASN  HA           11 VAL  MGY         3.50    (#   1709:20  Preassigned    3.67, 6.28 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 174, 175, 176, 178, 179, 180,
 &end
#
#    0 AMB  20-2:1710     0 AMB  20-1:1710   2.80    (#   1710:20  Double Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 352, 172,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#   11 VAL  HN            0 AMB  20-1:1711   2.80    (#   1711:20  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 20, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   11 VAL  HN            0 AMB  20-1:1712   2.80    (#   1712:20  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 20, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HN            0 AMB  20-1:1713   3.50    (#   1713:20  Single Ambig)
 &rst
  ixpk= 1713, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HN            0 AMB  20-1:1714   3.50    (#   1714:20  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HE3           0 AMB  20-1:1715   2.80    (#   1715:20  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HE3           0 AMB  20-1:1716   2.80    (#   1716:20  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HD1           0 AMB  20-1:1717   2.80    (#   1717:20  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HD1           0 AMB  20-1:1718   2.80    (#   1718:20  Single Ambig)
 &rst
  ixpk= 1718, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HA            0 AMB  20-1:1720   2.80    (#   1720:20  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   21 ILE  HB            0 AMB  20-1:1722   2.80    (#   1722:20  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 148, 149, 148, 149,
 &end
#
#   84 ILE  QG2           0 AMB  20-1:1724   2.80    (#   1724:20  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1306,1307,1308,
 igr2= 148, 149, 148, 149,
 &end
#
#   12 LEU  MDY          10 TRP  HB-         3.50    (#   1726:20  Preassigned    4.63, 7.79 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 193, 194, 195, 197, 198, 199,
 igr2= 148, 149,
 &end
#
#   77 LEU  MDY           0 AMB  20-1:1727   2.80    (#   1727:20  Single Ambig)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 148, 149, 148, 149,
 &end
#
#   77 LEU  MDY           0 AMB  20-1:1728   2.80    (#   1728:20  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 148, 149, 148, 149,
 &end
#
#   10 TRP  HN            9 THR  HA          2.80    (#   1729:20  Unique         2.14, 2.21 A)
 &rst
  ixpk= 1729, nxpk= 20, iat= 144, 132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 LEU  HN            9 THR  HA          3.50    (#   1730:20  Unique         3.62, 3.84 A)
 &rst
  ixpk= 1730, nxpk= 20, iat= 364, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  HN            9 THR  HA          3.50    (#   1731:20  Unique         2.92, 2.92 A)
 &rst
  ixpk= 1731, nxpk= 20, iat= 130, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 TRP  HE3           9 THR  HA          3.50    (#   1732:20  Unique         4.39, 6.17 A)
 &rst
  ixpk= 1732, nxpk= 20, iat= 163, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 VAL  HA            9 THR  HA          2.80    (#   1733:20  Unique         2.43, 2.60 A)
 &rst
  ixpk= 1733, nxpk= 20, iat= 350, 132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 THR  HB            9 THR  HA          3.50    (#   1734:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1734, nxpk= 20, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  MG2           9 THR  HA          2.80    (#   1735:20  Unique         2.05, 2.88 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 136, 137, 138,
 &end
#
#    0 AMB  20-2:1736     9 THR  HA          2.80    (#   1736:20  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 354, 355, 356, 358, 359, 360,1361,1362,1363,
 &end
#
#   10 TRP  HN            9 THR  HB          5.50    (#   1737:20  Unique         3.30, 3.70 A)
 &rst
  ixpk= 1737, nxpk= 20, iat= 144, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 THR  HN            9 THR  HB          2.80    (#   1738:20  Unique         2.81, 2.90 A)
 &rst
  ixpk= 1738, nxpk= 20, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 THR  HA            9 THR  HB          3.50    (#   1739:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1739, nxpk= 20, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1740     9 THR  HB          5.50    (#   1740:20  Single Ambig)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 170,
 &end
#
#   87 ILE  HB            9 THR  HB          4.50    (#   1742:20  Unique         4.45, 4.59 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=1352, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 ILE  HG1-          9 THR  HB          3.50    (#   1743:20  Preassigned    2.68, 4.40 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1358,1359,
 &end
#
#   87 ILE  HG1+          9 THR  HB          3.50    (#   1744:20  Unique         2.68, 4.40 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1358,1359,
 &end
#
#    9 THR  MG2           9 THR  HB          2.80    (#   1745:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 136, 137, 138,
 &end
#
#   87 ILE  QD1           9 THR  HB          3.50    (#   1746:20  Unique         2.00, 3.98 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1361,1362,1363,
 &end
#
#   10 TRP  HN            9 THR  MG2         3.50    (#   1747:20  Unique         2.05, 3.40 A)
 &rst
  ixpk= 1747, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 136, 137, 138,
 &end
#
#   11 VAL  HN            9 THR  MG2         4.50    (#   1748:20  Unique         4.69, 6.38 A)
 &rst
  ixpk= 1748, nxpk= 20, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 136, 137, 138,
 &end
#
#    9 THR  HN            9 THR  MG2         4.50    (#   1749:20  Unique         4.31, 4.58 A)
 &rst
  ixpk= 1749, nxpk= 20, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 136, 137, 138,
 &end
#
#    9 THR  HA            9 THR  MG2         2.80    (#   1750:20  Unique         2.05, 2.88 A)
 &rst
  ixpk= 1750, nxpk= 20, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 136, 137, 138,
 &end
#
#    0 AMB  20-2:1751     9 THR  MG2         3.50    (#   1751:20  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 350, 307,
 igr2= 136, 137, 138,
 &end
#
#   10 TRP  HA            9 THR  MG2         4.50    (#   1752:20  Unique         4.05, 5.20 A)
 &rst
  ixpk= 1752, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 136, 137, 138,
 &end
#
#    9 THR  HB            9 THR  MG2         2.80    (#   1754:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1754, nxpk= 20, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 136, 137, 138,
 &end
#
#    0 AMB  20-2:1755     9 THR  MG2         2.80    (#   1755:20  Single Ambig)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 315, 316, 315, 316,
 igr2= 136, 137, 138,
 &end
#
#    9 THR  HN            8 ASN  HA          2.80    (#   1756:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 1756, nxpk= 20, iat= 130, 118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   86 GLU  HA            8 ASN  HA          5.50    (#   1757:20  Unique         4.93, 5.52 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=1335, 118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 LEU  HN            8 ASN  HB+         5.50    (#   1758:20  Unique         2.65, 3.80 A)
 &rst
  ixpk= 1758, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 120, 121,
 &end
#
#    8 ASN  HN            8 ASN  HB+         3.50    (#   1759:20  Unique         2.19, 2.89 A)
 &rst
  ixpk= 1759, nxpk= 20, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 120, 121,
 &end
#
#    8 ASN  HN            8 ASN  HB-         4.50    (#   1760:20  Unique         2.19, 2.89 A)
 &rst
  ixpk= 1760, nxpk= 20, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 120, 121,
 &end
#
#    9 THR  HN            8 ASN  HB+         5.50    (#   1761:20  Unique         2.86, 4.11 A)
 &rst
  ixpk= 1761, nxpk= 20, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 120, 121,
 &end
#
#    9 THR  HN            8 ASN  HB-         3.50    (#   1762:20  Unique         2.86, 4.11 A)
 &rst
  ixpk= 1762, nxpk= 20, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 120, 121,
 &end
#
#    8 ASN  HD2+          8 ASN  HB-         5.50    (#   1763:20  Unique         2.11, 3.23 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 125, 126,
 igr2= 120, 121,
 &end
#
#    8 ASN  HD2-          8 ASN  HB-         5.50    (#   1764:20  Unique         2.11, 3.23 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 125, 126,
 igr2= 120, 121,
 &end
#
#   10 TRP  HZ3           8 ASN  HB-         3.50    (#   1765:20  Unique         2.86, 8.64 A)
 &rst
  ixpk= 1765, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 120, 121,
 &end
#
#   10 TRP  HZ3           8 ASN  HB+         4.50    (#   1766:20  Unique         2.86, 8.64 A)
 &rst
  ixpk= 1766, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 120, 121,
 &end
#
#    8 ASN  HA            8 ASN  HB+         3.50    (#   1767:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 120, 121,
 &end
#
#    8 ASN  HA            8 ASN  HB-         2.80    (#   1768:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 1768, nxpk= 20, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 120, 121,
 &end
#
#    0 AMB  20-2:1769     0 AMB  20-1:1769   5.50    (#   1769:20  Double Ambig)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 371, 405, 406,
 igr2= 120, 121, 120, 121,
 &end
#
#   23 LEU  MDY           8 ASN  HB+         4.50    (#   1770:20  Unique         2.66, 5.76 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 120, 121,
 &end
#
#   23 LEU  MDY           8 ASN  HB-         5.50    (#   1771:20  Unique         2.66, 5.76 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 373, 374, 375, 377, 378, 379,
 igr2= 120, 121,
 &end
#
#   23 LEU  HN            7 THR  HA          5.50    (#   1772:20  Unique         4.15, 5.14 A)
 &rst
  ixpk= 1772, nxpk= 20, iat= 364, 104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASN  HN            7 THR  HA          2.80    (#   1773:20  Unique         2.15, 2.24 A)
 &rst
  ixpk= 1773, nxpk= 20, iat= 116, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1774     7 THR  HA          3.50    (#   1774:20  Single Ambig)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 398,  88,
 &end
#
#    7 THR  HN            7 THR  HA          3.50    (#   1775:20  Unique         2.76, 2.86 A)
 &rst
  ixpk= 1775, nxpk= 20, iat= 102, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HB            7 THR  HA          2.80    (#   1777:20  Unique         2.66, 2.71 A)
 &rst
  ixpk= 1777, nxpk= 20, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 THR  MG2           7 THR  HA          4.50    (#   1778:20  Unique         3.48, 5.32 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  94,  95,  96,
 &end
#
#    7 THR  MG2           7 THR  HA          2.80    (#   1779:20  Unique         2.00, 2.84 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 108, 109, 110,
 &end
#
#    8 ASN  HN            7 THR  HB          3.50    (#   1780:20  Unique         2.18, 3.04 A)
 &rst
  ixpk= 1780, nxpk= 20, iat= 116, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HN            7 THR  HB          5.50    (#   1781:20  Unique         3.10, 3.60 A)
 &rst
  ixpk= 1781, nxpk= 20, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 THR  HA            7 THR  HB          2.80    (#   1782:20  Unique         2.66, 2.71 A)
 &rst
  ixpk= 1782, nxpk= 20, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 THR  MG2           7 THR  HB          2.80    (#   1784:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 108, 109, 110,
 &end
#
#   22 VAL  MGX           7 THR  HB          2.80    (#   1785:20  Unique         2.01, 3.85 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#    8 ASN  HN            7 THR  MG2         3.50    (#   1786:20  Unique         2.51, 4.15 A)
 &rst
  ixpk= 1786, nxpk= 20, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  20-2:1787     7 THR  MG2         2.80    (#   1787:20  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 398,  88,
 igr2= 108, 109, 110,
 &end
#
#    7 THR  HN            7 THR  MG2         3.50    (#   1788:20  Unique         2.81, 4.17 A)
 &rst
  ixpk= 1788, nxpk= 20, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 108, 109, 110,
 &end
#
#    7 THR  HA            7 THR  MG2         2.80    (#   1789:20  Unique         2.00, 2.84 A)
 &rst
  ixpk= 1789, nxpk= 20, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#    7 THR  HB            7 THR  MG2         2.80    (#   1791:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1791, nxpk= 20, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  20-2:1792     7 THR  MG2         4.50    (#   1792:20  Single Ambig)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  79,  80,  79,  80,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  20-2:1793     7 THR  MG2         2.80    (#   1793:20  Single Ambig)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 390, 391, 387, 388,
 igr2= 108, 109, 110,
 &end
#
#   24 GLU  HG+           7 THR  MG2         3.50    (#   1794:20  Unique         2.00, 3.28 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391,
 igr2= 108, 109, 110,
 &end
#
#    7 THR  HN            6 THR  HA          3.50    (#   1795:20  Unique         2.16, 3.06 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 102,  90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1797     6 THR  HA          3.50    (#   1797:20  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 408, 409, 408, 409,  38,  39,
 &end
#
#    6 THR  MG2           6 THR  HA          2.80    (#   1798:20  Unique         2.00, 2.92 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  94,  95,  96,
 &end
#
#    7 THR  HN            6 THR  HB          4.50    (#   1799:20  Unique         2.00, 3.42 A)
 &rst
  ixpk= 1799, nxpk= 20, iat= 102,  92, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1801     6 THR  HB          5.50    (#   1801:20  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  59,  60,  59,  60,
 &end
#
#    6 THR  MG2           6 THR  HB          2.80    (#   1802:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  94,  95,  96,
 &end
#
#    0 AMB  20-2:1803     6 THR  MG2         5.50    (#   1803:20  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  66,
 igr2=  94,  95,  96,
 &end
#
#    0 AMB  20-2:1805     6 THR  MG2         2.80    (#   1805:20  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  90,  92,
 igr2=  94,  95,  96,
 &end
#
#    5 LYS  HB+           5 LYS  HA          2.80    (#   1806:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1,  68, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  70,  71,
 &end
#
#    5 LYS  HG+           5 LYS  HA          3.50    (#   1807:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1,  68, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  73,  74,
 &end
#
#    5 LYS  HG-           5 LYS  HA          4.50    (#   1808:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1,  68, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  73,  74,
 &end
#
#   43 PHE  HN           42 GLU  HB-         3.50    (#   1809:20  Unique         1.94, 3.43 A)
 &rst
  ixpk= 1809, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 656, 657,
 &end
#
#    5 LYS  HA            5 LYS  HB+         2.80    (#   1810:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  70,  71,
 &end
#
#    5 LYS  HA            5 LYS  HB-         2.80    (#   1811:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  70,  71,
 &end
#
#    5 LYS  HG-           5 LYS  HB+         2.80    (#   1812:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  73,  74,
 igr2=  70,  71,
 &end
#
#    5 LYS  HG+           5 LYS  HB+         2.80    (#   1813:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  73,  74,
 igr2=  70,  71,
 &end
#
#    5 LYS  HG-           5 LYS  HB-         2.80    (#   1814:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  73,  74,
 igr2=  70,  71,
 &end
#
#    0 AMB  20-2:1815     0 AMB  20-1:1815   2.80    (#   1815:20  Double Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 752, 753,  73,  74,
 igr2= 656, 657,  70,  71,
 &end
#
#    5 LYS  HA            0 AMB  20-1:1816   4.50    (#   1816:20  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 20, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  76,  77,  76,  77,
 &end
#
#    0 AMB  20-2:1817     0 AMB  20-1:1817   2.80    (#   1817:20  Double Ambig)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1075,1076,1075,1076,1075,1076,
 igr2=1081,1082,1081,1082,1081,1082,
 &end
#
#    0 AMB  20-2:1818     0 AMB  20-1:1818   2.80    (#   1818:20  Double Ambig)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=  76,  77,  76,  77,  76,  77,1078,1079,1078,1079,
      1078,1079,
 igr2=  79,  80,  79,  80,  79,  80,1081,1082,1081,1082,
      1081,1082,
 &end
#
#    0 AMB  20-2:1819     4 SER  HA          2.80    (#   1819:20  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  59,  60,  59,  60,
 &end
#
#    0 AMB  20-2:1821     0 AMB  20-1:1821   2.80    (#   1821:20  Double Ambig)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  57,  33,
 igr2=  59,  60,  59,  60,
 &end
#
#    3 ARG  HD+           3 ARG  HA          2.80    (#   1823:20  Unique         2.15, 2.99 A)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  41,  42,
 &end
#
#    3 ARG  HD-           3 ARG  HA          2.80    (#   1824:20  Unique         2.15, 2.99 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  41,  42,
 &end
#
#    2 ASP  HB-           3 ARG  HA          4.50    (#   1825:20  Unique         4.32, 5.16 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  23,  24,
 &end
#
#    3 ARG  HB+           3 ARG  HA          2.80    (#   1826:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  35,  36,
 &end
#
#    3 ARG  HB-           3 ARG  HA          2.80    (#   1827:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  35,  36,
 &end
#
#    0 AMB  20-2:1828     3 ARG  HA          2.80    (#   1828:20  Single Ambig)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  38,  39,  76,  77,
 &end
#
#    3 ARG  HG-           3 ARG  HA          2.80    (#   1829:20  Unique         2.30, 3.27 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  38,  39,
 &end
#
#    0 AMB  20-2:1830     0 AMB  20-1:1830   2.80    (#   1830:20  Double Ambig)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  33,1046,
 igr2=  35,  36,1048,1049,
 &end
#
#    0 AMB  20-2:1831     0 AMB  20-1:1831   2.80    (#   1831:20  Double Ambig)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  33,1046,
 igr2=  35,  36,1048,1049,
 &end
#
#    0 AMB  20-2:1832     0 AMB  20-1:1832   2.80    (#   1832:20  Double Ambig)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  41,  42,1054,1055,1054,1055,
 igr2=  35,  36,1048,1049,1048,1049,   8,   9,
 &end
#
#    0 AMB  20-2:1833     0 AMB  20-1:1833   2.80    (#   1833:20  Double Ambig)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  41,  42,1054,1055,1054,1055,
 igr2=  35,  36,1048,1049,
 &end
#
#    3 ARG  HD+           3 ARG  HB-         2.80    (#   1834:20  Unique         2.06, 3.25 A)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  41,  42,
 igr2=  35,  36,
 &end
#
#    0 AMB  20-2:1835     0 AMB  20-1:1835   3.50    (#   1835:20  Double Ambig)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  41,  42,  41,  42,
 igr2=  35,  36,   8,   9,
 &end
#
#    0 AMB  20-2:1836     0 AMB  20-1:1836   2.80    (#   1836:20  Double Ambig)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  38,  39,1051,1052,1051,1052,
 igr2=  35,  36,1048,1049,1048,1049,   8,   9,
 &end
#
#    0 AMB  20-2:1837     0 AMB  20-1:1837   2.80    (#   1837:20  Double Ambig)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  38,  39,1051,1052,1051,1052,
 igr2=  35,  36,1048,1049,
 &end
#
#    0 AMB  20-2:1838     0 AMB  20-1:1838   2.80    (#   1838:20  Double Ambig)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1271,1272,1271,1272,  41,  42,
 igr2=1268,1269,1268,1269,  38,  39,
 &end
#
#    0 AMB  20-2:1839     0 AMB  20-1:1839   2.80    (#   1839:20  Double Ambig)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1271,1272,1271,1272,  41,  42,
 igr2=1268,1269,  38,  39,
 &end
#
#    2 ASP  HB+           2 ASP  HA          2.80    (#   1840:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  23,  24,
 &end
#
#    2 ASP  HB-           2 ASP  HA          2.80    (#   1841:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  23,  24,
 &end
#
#    2 ASP  HN            2 ASP  HB+         5.50    (#   1842:20  Unique         2.25, 3.17 A)
 &rst
  ixpk= 1842, nxpk= 20, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  23,  24,
 &end
#
#    2 ASP  HN            2 ASP  HB-         5.50    (#   1843:20  Unique         2.25, 3.17 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  23,  24,
 &end
#
#    2 ASP  HA            2 ASP  HB+         2.80    (#   1844:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  23,  24,
 &end
#
#    2 ASP  HA            2 ASP  HB-         2.80    (#   1845:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1845, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  23,  24,
 &end
#
#    1 GLU  HA            0 AMB  20-1:1846   2.80    (#   1846:20  Single Ambig)
 &rst
  ixpk= 1846, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=  11,  12,  11,  12,
 &end
#
#   63 ALA  HA           64 VAL  MGX         3.50    (#   1867:20  Unique         3.75, 5.74 A)
 &rst
  ixpk= 1867, nxpk= 20, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   17 GLU  HN           13 HIS  HA          5.50    (#   1870:20  Unique         4.25, 5.75 A)
 &rst
  ixpk= 1870, nxpk= 20, iat= 256, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ILE  HN           21 ILE  HA          2.80    (#   1876:20  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1876, nxpk= 20, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 VAL  HN           21 ILE  HA          2.80    (#   1877:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 1877, nxpk= 20, iat= 348, 331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 ILE  HB           21 ILE  HA          3.50    (#   1878:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 1878, nxpk= 20, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ILE  HG1-         21 ILE  HA          2.80    (#   1879:20  Unique         2.26, 3.24 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 339, 340,
 &end
#
#   21 ILE  HG1+         21 ILE  HA          3.50    (#   1880:20  Unique         2.26, 3.24 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#   21 ILE  QD1          21 ILE  HA          2.80    (#   1881:20  Unique         2.00, 3.19 A)
 &rst
  ixpk= 1881, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 342, 343, 344,
 &end
#
#    0 AMB  20-2:1882    21 ILE  HA          2.80    (#   1882:20  Single Ambig)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 335, 336, 337, 354, 355, 356, 358, 359, 360,
 &end
#
#   52 PHE  HB-          39 THR  HA          3.50    (#   1883:20  Unique         2.21, 3.75 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 798, 799,
 &end
#
#   21 ILE  HN           21 ILE  HB          2.80    (#   1884:20  Unique         2.45, 2.64 A)
 &rst
  ixpk= 1884, nxpk= 20, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 TRP  HE3          21 ILE  HB          2.80    (#   1885:20  Unique         2.00, 4.86 A)
 &rst
  ixpk= 1885, nxpk= 20, iat= 163, 333, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   52 PHE  HE           21 ILE  HB          5.50    (#   1886:20  Unique         5.33, 8.96 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 804, 808,
 &end
#
#   21 ILE  HA           21 ILE  HB          3.50    (#   1887:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 1887, nxpk= 20, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1888    21 ILE  HB          2.80    (#   1888:20  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 148, 149, 148, 149,
 &end
#
#   21 ILE  HG1-         21 ILE  HB          2.80    (#   1889:20  Unique         2.43, 2.57 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 339, 340,
 &end
#
#   21 ILE  HG1+         21 ILE  HB          3.50    (#   1890:20  Unique         2.43, 2.57 A)
 &rst
  ixpk= 1890, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#   21 ILE  QD1          21 ILE  HB          3.50    (#   1891:20  Unique         2.27, 3.61 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 342, 343, 344,
 &end
#
#   21 ILE  QG2          21 ILE  HB          2.80    (#   1892:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 335, 336, 337,
 &end
#
#   77 LEU  MDY          21 ILE  HB          4.50    (#   1893:20  Unique         3.85, 5.85 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   21 ILE  HN           21 ILE  HG1-        4.50    (#   1894:20  Unique         2.49, 3.75 A)
 &rst
  ixpk= 1894, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 339, 340,
 &end
#
#   21 ILE  HN           21 ILE  HG1+        3.50    (#   1895:20  Unique         2.49, 3.75 A)
 &rst
  ixpk= 1895, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#   21 ILE  HA           21 ILE  HG1-        3.50    (#   1896:20  Unique         2.26, 3.24 A)
 &rst
  ixpk= 1896, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#   21 ILE  HA           21 ILE  HG1+        3.50    (#   1897:20  Unique         2.26, 3.24 A)
 &rst
  ixpk= 1897, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#    0 AMB  20-2:1898    21 ILE  HG1-        5.50    (#   1898:20  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 515, 516, 148, 149, 148, 149,
 igr2= 339, 340,
 &end
#
#    0 AMB  20-2:1899     0 AMB  20-1:1899   4.50    (#   1899:20  Double Ambig)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 515, 516, 148, 149, 148, 149,
 igr2= 339, 340, 339, 340, 339, 340,
 &end
#
#   21 ILE  HB           21 ILE  HG1-        2.80    (#   1900:20  Unique         2.43, 2.57 A)
 &rst
  ixpk= 1900, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 339, 340,
 &end
#
#   21 ILE  HB           21 ILE  HG1+        3.50    (#   1901:20  Unique         2.43, 2.57 A)
 &rst
  ixpk= 1901, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#    0 AMB  20-2:1902    21 ILE  HG1-        2.80    (#   1902:20  Single Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 335, 336, 337, 342, 343, 344,
 igr2= 339, 340,
 &end
#
#   21 ILE  QD1          21 ILE  HG1+        2.80    (#   1903:20  Preassigned    2.20, 2.62 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 342, 343, 344,
 igr2= 339, 340,
 &end
#
#   21 ILE  HN           21 ILE  QD1         4.50    (#   1904:20  Unique         2.31, 4.19 A)
 &rst
  ixpk= 1904, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 342, 343, 344,
 &end
#
#   22 VAL  HN           21 ILE  QD1         4.50    (#   1905:20  Preassigned    3.51, 5.06 A)
 &rst
  ixpk= 1905, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 342, 343, 344,
 &end
#
#   19 PHE  HD           21 ILE  QD1         4.50    (#   1906:20  Unique         3.41, 6.21 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 293, 301,
 igr2= 342, 343, 344,
 &end
#
#   52 PHE  HE           21 ILE  QD1         5.50    (#   1907:20  Unique         3.81, 8.73 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 808,
 igr2= 342, 343, 344,
 &end
#
#   52 PHE  HZ           21 ILE  QD1         5.50    (#   1908:20  Unique         6.02, 8.59 A)
 &rst
  ixpk= 1908, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 342, 343, 344,
 &end
#
#   21 ILE  HA           21 ILE  QD1         2.80    (#   1909:20  Unique         2.00, 3.19 A)
 &rst
  ixpk= 1909, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 342, 343, 344,
 &end
#
#   32 CYS  HA           21 ILE  QD1         3.50    (#   1910:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1910, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 342, 343, 344,
 &end
#
#   32 CYS  HB-          21 ILE  QD1         3.50    (#   1911:20  Unique         2.57, 4.33 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 515, 516,
 igr2= 342, 343, 344,
 &end
#
#    0 AMB  20-2:1912    21 ILE  QD1         2.80    (#   1912:20  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 515, 516, 148, 149, 148, 149,
 igr2= 342, 343, 344,
 &end
#
#   33 ASN  HB-          21 ILE  QD1         5.50    (#   1913:20  Unique         4.09, 6.34 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 526, 527,
 igr2= 342, 343, 344,
 &end
#
#   21 ILE  HB           21 ILE  QD1         3.50    (#   1914:20  Unique         2.27, 3.61 A)
 &rst
  ixpk= 1914, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 342, 343, 344,
 &end
#
#   21 ILE  HG1-         21 ILE  QD1         2.80    (#   1915:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 339, 340,
 igr2= 342, 343, 344,
 &end
#
#   21 ILE  HG1+         21 ILE  QD1         2.80    (#   1916:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 339, 340,
 igr2= 342, 343, 344,
 &end
#
#   54 ILE  QG2          21 ILE  QD1         4.50    (#   1917:20  Unique         2.32, 6.21 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 831, 832, 833,
 igr2= 342, 343, 344,
 &end
#
#   21 ILE  HN           21 ILE  QG2         4.50    (#   1918:20  Unique         4.14, 4.63 A)
 &rst
  ixpk= 1918, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 335, 336, 337,
 &end
#
#   22 VAL  HN           21 ILE  QG2         2.80    (#   1919:20  Unique         1.99, 3.42 A)
 &rst
  ixpk= 1919, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 335, 336, 337,
 &end
#
#   10 TRP  HE3          21 ILE  QG2         2.80    (#   1920:20  Unique         2.21, 6.10 A)
 &rst
  ixpk= 1920, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 335, 336, 337,
 &end
#
#   52 PHE  HZ           21 ILE  QG2         5.50    (#   1921:20  Unique         4.27, 6.67 A)
 &rst
  ixpk= 1921, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 335, 336, 337,
 &end
#
#    0 AMB  20-2:1922    21 ILE  QG2         2.80    (#   1922:20  Single Ambig)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 804, 808, 161,
 igr2= 335, 336, 337,
 &end
#
#   21 ILE  HA           21 ILE  QG2         2.80    (#   1923:20  Unique         2.25, 3.15 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 335, 336, 337,
 &end
#
#    0 AMB  20-2:1925    21 ILE  QG2         2.80    (#   1925:20  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 148, 149, 148, 149, 515, 516,
 igr2= 335, 336, 337,
 &end
#
#   21 ILE  HB           21 ILE  QG2         2.80    (#   1926:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1926, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 335, 336, 337,
 &end
#
#    0 AMB  20-2:1927    21 ILE  QG2         2.80    (#   1927:20  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 339, 340, 368, 369,
 igr2= 335, 336, 337,
 &end
#
#   77 LEU  MDY          21 ILE  QG2         2.80    (#   1928:20  Unique         2.56, 5.25 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1190,1191,1192,1194,1195,1196,
 igr2= 335, 336, 337,
 &end
#
#    0 AMB  20-2:1929     8 ASN  HB-         3.50    (#   1929:20  Single Ambig)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1154,1155,  79,  80,  79,  80,
 igr2= 120, 121,
 &end
#
#    0 AMB  20-2:1930     0 AMB  20-1:1930   4.50    (#   1930:20  Double Ambig)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1247, 203,
 igr2=1239,1240,1239,1240,
 &end
#
#    0 AMB  20-2:1931    80 ASP  HB-         5.50    (#   1931:20  Single Ambig)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1247, 203,
 igr2=1239,1240,
 &end
#
#   79 VAL  MGY          80 ASP  HB+         3.50    (#   1932:20  Unique         2.21, 5.31 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1239,1240,
 &end
#
#   79 VAL  MGY          80 ASP  HB-         5.50    (#   1933:20  Unique         2.21, 5.31 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1239,1240,
 &end
#
#    0 AMB  20-2:1935     0 AMB  20-1:1935   2.80    (#   1935:20  Double Ambig)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 652, 645,
 igr2= 647, 648, 647, 648,
 &end
#
#   42 GLU  HA           41 GLY  HA+         4.50    (#   1938:20  Unique         4.36, 4.52 A)
 &rst
  ixpk= 1938, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 647, 648,
 &end
#
#   78 ILE  HN           78 ILE  HB          2.80    (#   1940:20  Unique         2.56, 2.61 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=1200,1204, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   83 GLU  HN           83 GLU  HG+         4.50    (#   1941:20  Unique         4.04, 4.36 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1292,1293,
 &end
#
#   83 GLU  HN           83 GLU  HG-         4.50    (#   1942:20  Unique         4.04, 4.36 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1292,1293,
 &end
#
#   84 ILE  HN           83 GLU  HG+         2.80    (#   1943:20  Unique         2.08, 3.13 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1292,1293,
 &end
#
#   84 ILE  HN           83 GLU  HG-         2.80    (#   1944:20  Unique         2.08, 3.13 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1292,1293,
 &end
#
#   83 GLU  HA           83 GLU  HG+         2.80    (#   1945:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1292,1293,
 &end
#
#   83 GLU  HA           83 GLU  HG-         2.80    (#   1946:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1292,1293,
 &end
#
#   85 PRO  HD-          83 GLU  HG+         3.50    (#   1947:20  Unique         2.49, 4.36 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1320,1321,
 igr2=1292,1293,
 &end
#
#   85 PRO  HD-          83 GLU  HG-         5.50    (#   1948:20  Unique         2.49, 4.36 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1320,1321,
 igr2=1292,1293,
 &end
#
#   76 THR  MG2          83 GLU  HG+         2.80    (#   1949:20  Unique         2.07, 3.14 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1173,1174,1175,
 igr2=1292,1293,
 &end
#
#   76 THR  MG2          83 GLU  HG-         2.80    (#   1950:20  Unique         2.07, 3.14 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1173,1174,1175,
 igr2=1292,1293,
 &end
#
#   78 ILE  QD1          83 GLU  HG+         2.80    (#   1951:20  Unique         2.87, 4.04 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1213,1214,1215,
 igr2=1292,1293,
 &end
#
#   78 ILE  QD1          83 GLU  HG-         3.50    (#   1952:20  Unique         2.87, 4.04 A)
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1213,1214,1215,
 igr2=1292,1293,
 &end
#
#   89 SER  HN            0 AMB  20-1:1954   2.80    (#   1954:20  Single Ambig)
 &rst
  ixpk= 1954, nxpk= 20, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1381,1382,1381,1382,
 &end
#
#    9 THR  HB           87 ILE  HB          5.50    (#   1957:20  Unique         4.45, 4.59 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 134,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HA           84 ILE  QD1         4.50    (#   1958:20  Unique         4.66, 5.46 A)
 &rst
  ixpk= 1958, nxpk= 20, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1313,1314,1315,
 &end
#
#   79 VAL  HA           84 ILE  QD1         5.50    (#   1959:20  Unique         4.54, 6.21 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1313,1314,1315,
 &end
#
#    0 AMB  20-2:1960    80 ASP  HB-         5.50    (#   1960:20  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1268,1269,1223,
 igr2=1239,1240,
 &end
#
#    0 AMB  20-2:1961     0 AMB  20-1:1961   5.50    (#   1961:20  Double Ambig)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1268,1269,1223,
 igr2=1239,1240,1239,1240,
 &end
#
#   78 ILE  QG2          79 VAL  HB          5.50    (#   1962:20  Unique         5.32, 6.43 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1206,1207,1208,
 &end
#
#   76 THR  MG2          78 ILE  QD1         2.80    (#   1963:20  Unique         2.01, 3.91 A)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1173,1174,1175,
 igr2=1213,1214,1215,
 &end
#
#   84 ILE  HB           77 LEU  MDX         5.50    (#   1964:20  Unique         2.55, 4.35 A)
 &rst
  ixpk= 1964, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   78 ILE  QD1          76 THR  MG2         2.80    (#   1965:20  Unique         2.01, 3.91 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1213,1214,1215,
 igr2=1173,1174,1175,
 &end
#
#   87 ILE  HN           87 ILE  QD1         5.50    (#   1966:20  Unique         2.23, 4.04 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1361,1362,1363,
 &end
#
#   71 GLU  HB+          73 ILE  HB          5.50    (#   1967:20  Unique         4.01, 7.20 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   65 SER  HB+          73 ILE  QD1         4.50    (#   1968:20  Unique         2.22, 4.15 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 997, 998,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:1969    73 ILE  QD1         3.50    (#   1969:20  Single Ambig)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 729, 730,1070,1107,1108,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:1970    72 GLY  HA-         5.50    (#   1970:20  Single Ambig)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1078,1079,1078,1079,
 igr2=1107,1108,
 &end
#
#    0 AMB  20-2:1971     0 AMB  20-1:1971   5.50    (#   1971:20  Double Ambig)
 &rst
  ixpk= 1971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1078,1079,1078,1079,
 igr2=1107,1108,1107,1108,
 &end
#
#   71 GLU  HN           71 GLU  HA          2.80    (#   1972:20  Unique         2.28, 2.81 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=1090,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1973    71 GLU  HA          3.50    (#   1973:20  Single Ambig)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1078,1079,1078,1079,
 &end
#
#    0 AMB  20-2:1974    71 GLU  HA          3.50    (#   1974:20  Single Ambig)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1122,1123,1075,1076,1075,1076,
 &end
#
#   66 SER  HB-          66 SER  HA          2.80    (#   1977:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1008,1009,
 &end
#
#   76 THR  HN           64 VAL  MGX         5.50    (#   1979:20  Unique         3.14, 6.09 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   75 HIS  HA           64 VAL  MGX         5.50    (#   1980:20  Unique         4.25, 6.92 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#   28 MET  ME           63 ALA  MB          4.50    (#   1982:20  Unique         5.64, 8.70 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 453, 454, 455,
 igr2= 971, 972, 973,
 &end
#
#    0 AMB  20-2:1984     0 AMB  20-1:1984   3.50    (#   1984:20  Double Ambig)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  90, 422,
 igr2= 408, 409, 408, 409, 408, 409,
 &end
#
#    7 THR  HA           25 LYS  HE-         5.50    (#   1985:20  Unique         2.10, 3.57 A)
 &rst
  ixpk= 1985, nxpk= 20, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 411, 412,
 &end
#
#   50 THR  HN           61 ILE  QG2         5.50    (#   1986:20  Unique         3.80, 4.72 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 932, 933, 934,
 &end
#
#   60 TYR  HB-          60 TYR  HA          2.80    (#   1987:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 909, 910,
 &end
#
#   12 LEU  HB+          54 ILE  QD1         5.50    (#   1989:20  Unique         2.85, 4.27 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 188, 189,
 igr2= 838, 839, 840,
 &end
#
#    0 AMB  20-2:1990    54 ILE  QD1         3.50    (#   1990:20  Single Ambig)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 193, 194, 195, 197, 198, 199, 898, 899,
 igr2= 838, 839, 840,
 &end
#
#   50 THR  HN           49 GLU  HB+         5.50    (#   1991:20  Unique         2.71, 3.70 A)
 &rst
  ixpk= 1991, nxpk= 20, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 752, 753,
 &end
#
#   50 THR  HN           49 GLU  HB-         5.50    (#   1992:20  Unique         2.71, 3.70 A)
 &rst
  ixpk= 1992, nxpk= 20, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 752, 753,
 &end
#
#   48 THR  HB           48 THR  HA          3.50    (#   1993:20  Unique         2.76, 2.92 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 738, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1994    40 ALA  MB          2.80    (#   1994:20  Single Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 781, 782, 781, 782,
 igr2= 639, 640, 641,
 &end
#
#   39 THR  HB           39 THR  HA          2.80    (#   1995:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 625, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1996     0 AMB  20-1:1996   2.80    (#   1996:20  Double Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 364, 184,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#    0 AMB  20-2:1997     0 AMB  20-1:1997   4.50    (#   1997:20  Double Ambig)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 329, 522,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#   10 TRP  HN            0 AMB  20-1:1998   4.50    (#   1998:20  Single Ambig)
 &rst
  ixpk= 1998, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#   52 PHE  HB+          39 THR  MG2         2.80    (#   1999:20  Unique         2.12, 3.88 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 798, 799,
 igr2= 627, 628, 629,
 &end
#
#    0 AMB  20-2:2000     0 AMB  20-1:2000   2.80    (#   2000:20  Double Ambig)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 315, 316, 315, 316, 207, 208, 315, 316,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#   37 LEU  HN           37 LEU  HG          5.50    (#   2002:20  Unique         2.01, 2.65 A)
 &rst
  ixpk= 2002, nxpk= 20, iat= 587, 594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 CYS  HB+          37 LEU  MDX         2.80    (#   2003:20  Unique         2.00, 4.10 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 515, 516,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   38 GLU  HG+          37 LEU  MDX         3.50    (#   2004:20  Unique         4.05, 7.28 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 613, 614,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   32 CYS  HB-          37 LEU  MDX         3.50    (#   2005:20  Unique         2.00, 4.10 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 515, 516,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   30 VAL  MGX          37 LEU  MDX         3.50    (#   2007:20  Unique         2.00, 6.00 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   31 TRP  HB+          30 VAL  MGY         5.50    (#   2008:20  Unique         4.56, 6.71 A)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 491, 492,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   24 GLU  HN           29 ASP  HB-         5.50    (#   2009:20  Unique         3.93, 4.85 A)
 &rst
  ixpk= 2009, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 463, 464,
 &end
#
#   36 LYS  HG-          29 ASP  HB+         5.50    (#   2010:20  Unique         2.19, 4.14 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573,
 igr2= 463, 464,
 &end
#
#   25 LYS  HE+          28 MET  ME          5.50    (#   2011:20  Unique         6.36, 9.38 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 411, 412,
 igr2= 453, 454, 455,
 &end
#
#   27 ALA  HN           27 ALA  HA          2.80    (#   2012:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2012, nxpk= 20, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HB-          27 ALA  HA          4.50    (#   2013:20  Unique         4.27, 5.08 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 424, 425,
 &end
#
#   27 ALA  MB           27 ALA  HA          2.80    (#   2014:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 436, 437, 438,
 &end
#
#   26 ASP  HN           27 ALA  MB          5.50    (#   2015:20  Unique         4.26, 5.31 A)
 &rst
  ixpk= 2015, nxpk= 20, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 436, 437, 438,
 &end
#
#   27 ALA  HN           27 ALA  MB          2.80    (#   2016:20  Unique         2.32, 3.09 A)
 &rst
  ixpk= 2016, nxpk= 20, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 436, 437, 438,
 &end
#
#   29 ASP  HN           27 ALA  MB          3.50    (#   2017:20  Unique         2.97, 4.21 A)
 &rst
  ixpk= 2017, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 436, 437, 438,
 &end
#
#   27 ALA  HA           27 ALA  MB          2.80    (#   2019:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2019, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 436, 437, 438,
 &end
#
#   28 MET  HA           27 ALA  MB          5.50    (#   2020:20  Unique         4.60, 5.50 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 436, 437, 438,
 &end
#
#   26 ASP  HB-          27 ALA  MB          3.50    (#   2021:20  Unique         3.65, 5.55 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 424, 425,
 igr2= 436, 437, 438,
 &end
#
#   29 ASP  HB+          27 ALA  MB          3.50    (#   2022:20  Unique         2.88, 4.86 A)
 &rst
  ixpk= 2022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 463, 464,
 igr2= 436, 437, 438,
 &end
#
#    0 AMB  20-2:2023    27 ALA  MB          3.50    (#   2023:20  Single Ambig)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 387, 388, 390, 391,
 igr2= 436, 437, 438,
 &end
#
#    0 AMB  20-2:2024    27 ALA  MB          3.50    (#   2024:20  Single Ambig)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 387, 388, 463, 464, 390, 391,
 igr2= 436, 437, 438,
 &end
#
#   25 LYS  HA           26 ASP  HA          5.50    (#   2025:20  Unique         4.69, 4.72 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 400, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LYS  HN           24 GLU  HB-         5.50    (#   2026:20  Unique         2.69, 3.54 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 387, 388,
 &end
#
#   25 LYS  HN           24 GLU  HB+         4.50    (#   2027:20  Unique         2.69, 3.54 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#   18 ASN  HA           11 VAL  MGX         3.50    (#   2028:20  Preassigned    3.67, 6.28 A)
 &rst
  ixpk= 2028, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 174, 175, 176, 178, 179, 180,
 &end
#
#   18 ASN  HB-          11 VAL  MGX         3.50    (#   2029:20  Unique         2.08, 5.50 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 275, 276,
 igr2= 174, 175, 176, 178, 179, 180,
 &end
#
#   18 ASN  HB+          11 VAL  MGX         3.50    (#   2030:20  Unique         2.08, 5.50 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 275, 276,
 igr2= 174, 175, 176, 178, 179, 180,
 &end
#
#   74 ILE  HN           64 VAL  MGY         3.50    (#   2031:20  Preassigned    4.26, 5.36 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
#    0 AMB  20-2:2032     0 AMB  20-1:2032   2.80    (#   2032:20  Double Ambig)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 170, 350,
 igr2= 174, 175, 176, 178, 179, 180, 354, 355, 356, 358,
       359, 360,
 &end
#
#   30 VAL  MGX          21 ILE  QD1         4.50    (#   2033:20  Unique         3.66, 7.15 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 342, 343, 344,
 &end
#
#   32 CYS  HB-          21 ILE  QG2         5.50    (#   2035:20  Unique         3.80, 5.99 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 515, 516,
 igr2= 335, 336, 337,
 &end
#
#   30 VAL  MGX          21 ILE  QG2         2.80    (#   2036:20  Unique         2.00, 5.17 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 335, 336, 337,
 &end
#
#    0 AMB  20-2:2037     0 AMB  20-1:2037   5.50    (#   2037:20  Double Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  20-2:2038    14 MET  HG-         5.50    (#   2038:20  Single Ambig)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 igr2= 227, 228,
 &end
#
#    0 AMB  20-2:2039    14 MET  ME          5.50    (#   2039:20  Single Ambig)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 241, 242, 207, 208,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:2040     0 AMB  20-1:2040   5.50    (#   2040:20  Double Ambig)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 280, 281, 216,
 igr2= 207, 208, 207, 208,
 &end
#
#   23 LEU  HN            9 THR  MG2         5.50    (#   2041:20  Preassigned    5.16, 6.34 A)
 &rst
  ixpk= 2041, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 136, 137, 138,
 &end
#
#   10 TRP  HE3           9 THR  MG2         5.50    (#   2042:20  Unique         5.99, 7.55 A)
 &rst
  ixpk= 2042, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 136, 137, 138,
 &end
#
#   20 ARG  HB+           9 THR  MG2         3.50    (#   2043:20  Preassigned    4.50, 5.77 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 309, 310,
 igr2= 136, 137, 138,
 &end
#
#    0 AMB  20-2:2044     9 THR  MG2         4.50    (#   2044:20  Single Ambig)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 172,1337,1338,1337,1338,
 igr2= 136, 137, 138,
 &end
#
#    0 AMB  20-2:2045     9 THR  MG2         4.50    (#   2045:20  Single Ambig)
 &rst
  ixpk= 2045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1352,  70,  71,
 igr2= 136, 137, 138,
 &end
#
#    0 AMB  20-2:2046     0 AMB  20-1:2046   4.50    (#   2046:20  Double Ambig)
 &rst
  ixpk= 2046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1154,1155,  79,  80,  79,  80,
 igr2= 120, 121, 120, 121, 120, 121,
 &end
#
#   23 LEU  HN            7 THR  HB          5.50    (#   2047:20  Preassigned    3.52, 4.39 A)
 &rst
  ixpk= 2047, nxpk= 20, iat= 364, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2048     7 THR  MG2         4.50    (#   2048:20  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 364, 383,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  20-2:2049     7 THR  MG2         4.50    (#   2049:20  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  92,  90,  57,
 igr2= 108, 109, 110,
 &end
#
#   24 GLU  HB+           7 THR  MG2         3.50    (#   2050:20  Unique         3.18, 4.68 A)
 &rst
  ixpk= 2050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 387, 388,
 igr2= 108, 109, 110,
 &end
#
#   42 GLU  HB+          48 THR  MG2         4.50    (#   2051:20  Unique         2.00, 5.27 A)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 656, 657,
 igr2= 740, 741, 742,
 &end
#
#    5 LYS  HA            5 LYS  HG+         5.50    (#   2053:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  73,  74,
 &end
#
#    5 LYS  HA            5 LYS  HG-         4.50    (#   2054:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  73,  74,
 &end
#
#    0 AMB  20-2:2055     0 AMB  20-1:2055   2.80    (#   2055:20  Double Ambig)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  73,  74,1075,1076,1075,1076,1075,1076,
 igr2=  79,  80,  79,  80,1081,1082,1081,1082,1081,1082,
      
 &end
#
#    3 ARG  HA            3 ARG  HG+         2.80    (#   2056:20  Unique         2.30, 3.27 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  38,  39,
 &end
#
#   84 ILE  HG1-          0 AMB  20-1:2057   5.50    (#   2057:20  Single Ambig)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1310,1311,
 igr2= 148, 149, 148, 149,
 &end
#
#    0 AMB  20-2:2058     0 AMB  20-1:2058   5.50    (#   2058:20  Double Ambig)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
 igr1=1304,1337,1338,1337,1338,1337,1338, 172,
 igr2= 148, 149, 148, 149, 148, 149, 148, 149,
 &end
#
#   11 VAL  HB           87 ILE  QD1         5.50    (#   2059:20  Preassigned    2.14, 3.49 A)
 &rst
  ixpk= 2059, nxpk= 20, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1361,1362,1363,
 &end
#
#   10 TRP  HN           87 ILE  QG2         5.50    (#   2060:20  Unique         7.28, 8.26 A)
 &rst
  ixpk= 2060, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1354,1355,1356,
 &end
#
#   89 SER  HN           87 ILE  QG2         5.50    (#   2061:20  Unique         2.38, 4.36 A)
 &rst
  ixpk= 2061, nxpk= 20, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1354,1355,1356,
 &end
#
#   11 VAL  HA           87 ILE  QG2         5.50    (#   2062:20  Unique         5.63, 7.66 A)
 &rst
  ixpk= 2062, nxpk= 20, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1354,1355,1356,
 &end
#
#   10 TRP  HA           87 ILE  QG2         5.50    (#   2063:20  Unique         5.40, 6.28 A)
 &rst
  ixpk= 2063, nxpk= 20, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1354,1355,1356,
 &end
#
#    9 THR  HN           86 GLU  HB+         5.50    (#   2064:20  Unique         4.29, 5.12 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#    9 THR  HN           86 GLU  HB-         5.50    (#   2065:20  Unique         4.29, 5.12 A)
 &rst
  ixpk= 2065, nxpk= 20, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#   10 TRP  HD1          86 GLU  HB+         5.50    (#   2066:20  Unique         4.29, 7.69 A)
 &rst
  ixpk= 2066, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#   10 TRP  HD1          86 GLU  HB-         5.50    (#   2067:20  Unique         4.29, 7.69 A)
 &rst
  ixpk= 2067, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#    9 THR  HN           86 GLU  HG-         5.50    (#   2068:20  Unique         2.29, 3.24 A)
 &rst
  ixpk= 2068, nxpk= 20, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1340,1341,
 &end
#
#   82 ARG  HN           81 ASN  HB+         5.50    (#   2071:20  Unique         4.13, 4.37 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1251,1252,
 &end
#
#   82 ARG  HN           81 ASN  HB-         5.50    (#   2072:20  Unique         4.13, 4.37 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:2073     0 AMB  20-1:2073   3.50    (#   2073:20  Double Ambig)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1271,1272,1271,1272,
 igr2=1251,1252,1251,1252,
 &end
#
#    0 AMB  20-2:2074    81 ASN  HB-         3.50    (#   2074:20  Single Ambig)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1271,1272,1271,1272,
 igr2=1251,1252,
 &end
#
#   80 ASP  HN           79 VAL  HB          5.50    (#   2075:20  Unique         2.91, 3.92 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=1235,1223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HA           79 VAL  MGX         4.50    (#   2077:20  Unique         3.90, 5.68 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:2078    79 VAL  MGX         5.50    (#   2078:20  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 869, 870, 886, 887,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   80 ASP  HB-          79 VAL  MGX         5.50    (#   2079:20  Unique         2.21, 5.31 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1239,1240,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:2080    79 VAL  MGX         5.50    (#   2080:20  Single Ambig)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1271,1272,1271,1272, 869, 870,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   80 ASP  HB+          79 VAL  MGX         5.50    (#   2081:20  Unique         2.21, 5.31 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1239,1240,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:2083    79 VAL  MGX         5.50    (#   2083:20  Single Ambig)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 227, 228, 120, 121,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  20-2:2084    78 ILE  HG1-        5.50    (#   2084:20  Single Ambig)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 905,1300,1247, 967,
 igr2=1210,1211,
 &end
#
#    0 AMB  20-2:2085     0 AMB  20-1:2085   5.50    (#   2085:20  Double Ambig)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 905,1300,1247, 967,
 igr2=1210,1211,1210,1211,1210,1211,1210,1211,
 &end
#
#    0 AMB  20-2:2086     0 AMB  20-1:2086   5.50    (#   2086:20  Double Ambig)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 955, 956, 949, 950,
 igr2=1210,1211,1210,1211,
 &end
#
#   62 LYS  HN           78 ILE  QD1         5.50    (#   2087:20  Unique         4.72, 5.53 A)
 &rst
  ixpk= 2087, nxpk= 20, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1213,1214,1215,
 &end
#
#    0 AMB  20-2:2089    78 ILE  QD1         4.50    (#   2089:20  Single Ambig)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 928, 969,
 igr2=1213,1214,1215,
 &end
#
#   81 ASN  HA           78 ILE  QD1         5.50    (#   2090:20  Unique         4.75, 6.03 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1213,1214,1215,
 &end
#
#   59 CYS  HB-          78 ILE  QG2         5.50    (#   2091:20  Unique         5.92, 7.95 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 898, 899,
 igr2=1206,1207,1208,
 &end
#
#   76 THR  MG2          78 ILE  QG2         5.50    (#   2092:20  Unique         5.16, 7.14 A)
 &rst
  ixpk= 2092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1173,1174,1175,
 igr2=1206,1207,1208,
 &end
#
#   73 ILE  HN           74 ILE  QD1         5.50    (#   2093:20  Preassigned    4.32, 5.54 A)
 &rst
  ixpk= 2093, nxpk= 20, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1144,1145,1146,
 &end
#
#   72 GLY  HA+          74 ILE  QD1         5.50    (#   2094:20  Unique         3.61, 5.47 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1107,1108,
 igr2=1144,1145,1146,
 &end
#
#   74 ILE  QD1          72 GLY  HA-         5.50    (#   2097:20  Unique         3.61, 5.47 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1144,1145,1146,
 igr2=1107,1108,
 &end
#
#   70 LYS  HA            0 AMB  20-1:2099   5.50    (#   2099:20  Single Ambig)
 &rst
  ixpk= 2099, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1097,1098,1097,1098,
 &end
#
#   72 GLY  HA-           0 AMB  20-1:2100   5.50    (#   2100:20  Single Ambig)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1107,1108,
 igr2=1097,1098,1097,1098,
 &end
#
#   73 ILE  HG1+         65 SER  HB+         3.50    (#   2101:20  Unique         4.41, 5.96 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1122,1123,
 igr2= 997, 998,
 &end
#
#   73 ILE  HG1+         65 SER  HB-         4.50    (#   2102:20  Preassigned    4.41, 5.96 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1122,1123,
 igr2= 997, 998,
 &end
#
#   63 ALA  HN            0 AMB  20-1:2103   4.50    (#   2103:20  Single Ambig)
 &rst
  ixpk= 2103, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 952, 953, 952, 953,
 &end
#
#    0 AMB  20-2:2104     0 AMB  20-1:2104   5.50    (#   2104:20  Double Ambig)
 &rst
  ixpk= 2104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 926, 734,
 igr2= 952, 953, 952, 953, 952, 953,
 &end
#
#   60 TYR  HE            0 AMB  20-1:2105   5.50    (#   2105:20  Single Ambig)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 915, 920,
 igr2= 952, 953, 952, 953,
 &end
#
#   79 VAL  HA           59 CYS  HB+         5.50    (#   2106:20  Unique         3.32, 4.52 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   77 LEU  HG           59 CYS  HB+         4.50    (#   2107:20  Unique         3.53, 5.11 A)
 &rst
  ixpk= 2107, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 898, 899,
 &end
#
#   53 SER  HN           58 ASP  HB+         5.50    (#   2108:20  Preassigned    6.42, 8.54 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   53 SER  HN           58 ASP  HB-         5.50    (#   2109:20  Preassigned    6.42, 8.54 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   53 SER  HA           58 ASP  HB-         5.50    (#   2110:20  Unique         4.80, 6.20 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   57 HIS  HB+          54 ILE  HG1-        5.50    (#   2113:20  Unique         4.16, 6.07 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 869, 870,
 igr2= 835, 836,
 &end
#
#    0 AMB  20-2:2114    54 ILE  QD1         5.50    (#   2114:20  Single Ambig)
 &rst
  ixpk= 2114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 295, 299, 157, 878,
 igr2= 838, 839, 840,
 &end
#
#   59 CYS  HA           54 ILE  QD1         5.50    (#   2115:20  Preassigned    5.48, 7.81 A)
 &rst
  ixpk= 2115, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 838, 839, 840,
 &end
#
#   51 HIS  HD2          51 HIS  HB+         5.50    (#   2116:20  Unique         2.69, 3.37 A)
 &rst
  ixpk= 2116, nxpk= 20, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 781, 782,
 &end
#
#   44 VAL  HN           48 THR  MG2         5.50    (#   2117:20  Unique         4.50, 5.82 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#   47 GLY  HA-          44 VAL  MGX         5.50    (#   2118:20  Unique         3.97, 6.42 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 729, 730,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   48 THR  HB           44 VAL  MGX         5.50    (#   2119:20  Unique         5.35, 8.13 A)
 &rst
  ixpk= 2119, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   43 PHE  HB+          44 VAL  MGX         5.50    (#   2120:20  Unique         4.84, 6.63 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 671, 672,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   49 GLU  HN           44 VAL  MGY         4.50    (#   2121:20  Preassigned    2.63, 5.10 A)
 &rst
  ixpk= 2121, nxpk= 20, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   22 VAL  HA            7 THR  MG2         5.50    (#   2123:20  Unique         4.10, 5.76 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 108, 109, 110,
 &end
#
#   48 THR  HA           44 VAL  MGY         4.50    (#   2124:20  Unique         3.15, 5.63 A)
 &rst
  ixpk= 2124, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 693, 694, 695, 697, 698, 699,
 &end
#
#   39 THR  HA           40 ALA  MB          4.50    (#   2125:20  Unique         4.00, 4.93 A)
 &rst
  ixpk= 2125, nxpk= 20, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 639, 640, 641,
 &end
#
#   51 HIS  HN           39 THR  MG2         4.50    (#   2126:20  Preassigned    3.21, 5.10 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 627, 628, 629,
 &end
#
#    7 THR  HB           22 VAL  MGY         2.80    (#   2127:20  Unique         2.01, 3.85 A)
 &rst
  ixpk= 2127, nxpk= 20, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   52 PHE  HD           37 LEU  MDY         5.50    (#   2128:20  Unique         2.00, 6.51 A)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 802, 810,
 igr2= 596, 597, 598, 600, 601, 602,
 &end
#
#   30 VAL  MGX          32 CYS  HB+         5.50    (#   2129:20  Unique         3.44, 6.17 A)
 &rst
  ixpk= 2129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 515, 516,
 &end
#
#   30 VAL  MGX          32 CYS  HB-         5.50    (#   2130:20  Unique         3.44, 6.17 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 477, 478, 479, 481, 482, 483,
 igr2= 515, 516,
 &end
#
#   22 VAL  MGY          31 TRP  HB-         5.50    (#   2131:20  Unique         2.97, 4.98 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 491, 492,
 &end
#
#   22 VAL  MGY          31 TRP  HB+         5.50    (#   2132:20  Unique         2.97, 4.98 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 491, 492,
 &end
#
#    0 AMB  20-2:2134    30 VAL  MGX         3.50    (#   2134:20  Single Ambig)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 368, 369, 339, 340, 936, 937,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   23 LEU  HB+          30 VAL  MGY         5.50    (#   2135:20  Unique         3.11, 5.99 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 368, 369,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:2136    30 VAL  MGY         3.50    (#   2136:20  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 368, 369, 339, 340, 936, 937,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  20-2:2137    30 VAL  MGY         2.80    (#   2137:20  Single Ambig)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 596, 597, 598, 600, 601, 602, 373, 374, 375, 377,
       378, 379,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   25 LYS  HA           28 MET  ME          5.50    (#   2138:20  Unique         2.68, 4.82 A)
 &rst
  ixpk= 2138, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 453, 454, 455,
 &end
#
#   27 ALA  MB           26 ASP  HB+         5.50    (#   2139:20  Unique         3.65, 5.55 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 436, 437, 438,
 igr2= 424, 425,
 &end
#
#    0 AMB  20-2:2140    23 LEU  MDX         5.50    (#   2140:20  Single Ambig)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 125, 126, 459,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  20-2:2141    23 LEU  MDX         3.50    (#   2141:20  Single Ambig)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1163, 159,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   10 TRP  HZ3          23 LEU  MDX         3.50    (#   2142:20  Unique         2.00,11.12 A)
 &rst
  ixpk= 2142, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  20-2:2143     0 AMB  20-1:2143   3.50    (#   2143:20  Double Ambig)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 315, 316, 315, 316, 207, 208, 315, 316,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#   31 TRP  HB+          22 VAL  MGX         3.50    (#   2144:20  Preassigned    2.97, 4.98 A)
 &rst
  ixpk= 2144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 491, 492,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   31 TRP  HB-          22 VAL  MGX         3.50    (#   2145:20  Preassigned    2.97, 4.98 A)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 491, 492,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   31 TRP  HD1          22 VAL  MGX         3.50    (#   2146:20  Preassigned    3.07, 6.92 A)
 &rst
  ixpk= 2146, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  20-2:2147     0 AMB  20-1:2147   5.50    (#   2147:20  Double Ambig)
 &rst
  ixpk= 2147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 506, 152,
 igr2= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#    9 THR  HB           22 VAL  MGY         3.50    (#   2148:20  Preassigned    4.39, 6.35 A)
 &rst
  ixpk= 2148, nxpk= 20, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   10 TRP  HE3          21 ILE  QD1         5.50    (#   2149:20  Unique         3.37, 7.62 A)
 &rst
  ixpk= 2149, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 342, 343, 344,
 &end
#
#   19 PHE  HA           21 ILE  QD1         5.50    (#   2150:20  Preassigned    4.20, 5.84 A)
 &rst
  ixpk= 2150, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 342, 343, 344,
 &end
#
#    0 AMB  20-2:2151    21 ILE  QD1         5.50    (#   2151:20  Single Ambig)
 &rst
  ixpk= 2151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 184, 536,
 igr2= 342, 343, 344,
 &end
#
#   23 LEU  HB+          21 ILE  QG2         3.50    (#   2152:20  Unique         3.38, 4.92 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 368, 369,
 igr2= 335, 336, 337,
 &end
#
#   23 LEU  HN           21 ILE  QG2         3.50    (#   2153:20  Preassigned    3.52, 4.64 A)
 &rst
  ixpk= 2153, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 335, 336, 337,
 &end
#
#   32 CYS  HA           21 ILE  QG2         5.50    (#   2154:20  Unique         3.51, 4.81 A)
 &rst
  ixpk= 2154, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 335, 336, 337,
 &end
#
#    0 AMB  20-2:2155    20 ARG  HB-         3.50    (#   2155:20  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180, 342, 343, 344,1361,1362,1363,
 igr2= 309, 310,
 &end
#
#    0 AMB  20-2:2156    20 ARG  HB-         3.50    (#   2156:20  Single Ambig)
 &rst
  ixpk= 2156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 igr2= 309, 310,
 &end
#
#   20 ARG  HA           21 ILE  HG1-        5.50    (#   2157:20  Unique         3.38, 4.86 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 339, 340,
 &end
#
#    0 AMB  20-2:2158     0 AMB  20-1:2158   5.50    (#   2158:20  Double Ambig)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 227, 228, 446, 447,
 igr2= 241, 242, 241, 242, 671, 672, 798, 799,
 &end
#
#   15 ASP  HN           14 MET  HB+         5.50    (#   2159:20  Unique         1.95, 2.70 A)
 &rst
  ixpk= 2159, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 224, 225,
 &end
#
#   19 PHE  HD           14 MET  HG+         5.50    (#   2160:20  Unique         2.14, 5.93 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 293, 301,
 igr2= 227, 228,
 &end
#
#   13 HIS  HN           13 HIS  HB+         4.50    (#   2161:20  Unique         2.38, 3.17 A)
 &rst
  ixpk= 2161, nxpk= 20, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 207, 208,
 &end
#
#   13 HIS  HN           13 HIS  HB-         3.50    (#   2162:20  Unique         2.38, 3.17 A)
 &rst
  ixpk= 2162, nxpk= 20, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 207, 208,
 &end
#
#   10 TRP  HD1          11 VAL  MGY         5.50    (#   2163:20  Preassigned    3.56, 7.20 A)
 &rst
  ixpk= 2163, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 174, 175, 176, 178, 179, 180,
 &end
#
#   86 GLU  HA            9 THR  MG2         5.50    (#   2164:20  Unique         5.89, 7.29 A)
 &rst
  ixpk= 2164, nxpk= 20, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 136, 137, 138,
 &end
#
#    7 THR  HN            6 THR  MG2         4.50    (#   2165:20  Unique         3.20, 4.78 A)
 &rst
  ixpk= 2165, nxpk= 20, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  94,  95,  96,
 &end
#
#    0 AMB  20-2:2166     0 AMB  20-1:2166   5.50    (#   2166:20  Double Ambig)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27,
 igr1=1313,1314,1315, 838, 839, 840, 373, 374, 375, 377,
       378, 379,
 igr2= 148, 149, 148, 149, 148, 149, 148, 149,
 &end
#
#   65 SER  HB-          73 ILE  QD1         3.50    (#   2168:20  Unique         2.22, 4.15 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 997, 998,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:2169     0 AMB  20-1:2169   5.50    (#   2169:20  Double Ambig)
 &rst
  ixpk= 2169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 495, 125, 126,
 igr2= 387, 388, 387, 388,
 &end
#
#   52 PHE  HZ           61 ILE  QD1         4.50    (#   2170:20  Unique         2.97, 5.70 A)
 &rst
  ixpk= 2170, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#    0 AMB  20-2:2172    78 ILE  HB          4.50    (#   2172:20  Single Ambig)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 905,1247,
 &end
#
#   79 VAL  HN           78 ILE  HB          5.50    (#   2173:20  Unique         4.16, 4.38 A)
 &rst
  ixpk= 2173, nxpk= 20, iat=1219,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 TYR  HD           78 ILE  HB          5.50    (#   2174:20  Unique         2.99, 4.62 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 913, 922,
 &end
#
#   78 ILE  HA           78 ILE  HB          5.50    (#   2175:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=1202,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LEU  HA           78 ILE  HB          5.50    (#   2176:20  Unique         4.60, 4.64 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=1183,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HG1+         78 ILE  HB          2.80    (#   2177:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1210,1211,
 &end
#
#   78 ILE  HG1-         78 ILE  HB          2.80    (#   2178:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1210,1211,
 &end
#
#   10 TRP  HD1          84 ILE  QD1         5.50    (#   2181:20  Unique         5.13, 7.14 A)
 &rst
  ixpk= 2181, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1313,1314,1315,
 &end
#
#   10 TRP  HE1          84 ILE  QG2         5.50    (#   2182:20  Unique         2.40, 4.29 A)
 &rst
  ixpk= 2182, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1306,1307,1308,
 &end
#
#   51 HIS  HD2          42 GLU  HB-         5.50    (#   2183:20  Preassigned    5.98, 9.18 A)
 &rst
  ixpk= 2183, nxpk= 20, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 656, 657,
 &end
#
#    0 AMB  20-2:2185    79 VAL  MGX         5.50    (#   2185:20  Single Ambig)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 161, 804, 808,
 igr2=1225,1226,1227,1229,1230,1231,
 &end
#
#   52 PHE  HE           50 THR  MG2         5.50    (#   2186:20  Unique         2.49, 6.06 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 804, 808,
 igr2= 769, 770, 771,
 &end
#
#   52 PHE  HE           54 ILE  HG1-        3.50    (#   2188:20  Unique         3.30, 7.71 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 804, 808,
 igr2= 835, 836,
 &end
#
#   52 PHE  HD           54 ILE  HG1+        4.50    (#   2189:20  Unique         3.93, 7.76 A)
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 802, 810,
 igr2= 835, 836,
 &end
#
#    0 AMB  20-2:2190    76 THR  HB          4.50    (#   2190:20  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 983, 984, 985, 987, 988, 989,1210,1211,
 &end
#
#   77 LEU  HA           61 ILE  HG1-        5.50    (#   2191:20  Unique         2.52, 3.63 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 936, 937,
 &end
#
#   77 LEU  HA           61 ILE  HG1+        5.50    (#   2192:20  Unique         2.52, 3.63 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 936, 937,
 &end
#
#    0 AMB  20-2:2193     0 AMB  20-1:2193   5.50    (#   2193:20  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1044, 734,
 igr2= 997, 998, 997, 998,
 &end
#
#    0 AMB  20-2:2194     0 AMB  20-1:2194   3.50    (#   2194:20  Double Ambig)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 203, 305, 814,
 igr2= 174, 175, 176, 178, 179, 180, 627, 628, 629,
 &end
#
#   31 TRP  HN           23 LEU  MDX         5.50    (#   2195:20  Unique         3.84, 6.30 A)
 &rst
  ixpk= 2195, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   87 ILE  QG2          88 ALA  HA          5.50    (#   2196:20  Unique         3.18, 4.64 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1354,1355,1356,
 &end
#
#   84 ILE  HA           85 PRO  HG+         4.50    (#   2197:20  Unique         4.17, 4.38 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1323,1324,
 &end
#
#   84 ILE  HA           85 PRO  HG-         4.50    (#   2198:20  Unique         4.17, 4.38 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1323,1324,
 &end
#
#   79 VAL  MGX          84 ILE  HG1-        2.80    (#   2199:20  Unique         2.00, 4.19 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1310,1311,
 &end
#
#   79 VAL  MGY          84 ILE  HG1-        2.80    (#   2200:20  Unique         2.00, 4.19 A)
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1310,1311,
 &end
#
#    0 AMB  20-2:2201    84 ILE  QD1         2.80    (#   2201:20  Single Ambig)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1268,1269,1268,1269,1223,
 igr2=1313,1314,1315,
 &end
#
#   79 VAL  MGX          84 ILE  QG2         3.50    (#   2202:20  Unique         3.15, 5.80 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:2203    84 ILE  QG2         2.80    (#   2203:20  Single Ambig)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1313,1314,1315,1225,1226,1227,1229,1230,1231,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:2204    78 ILE  QG2         4.50    (#   2204:20  Single Ambig)
 &rst
  ixpk= 2204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1265,1266,1265,1266,
 igr2=1206,1207,1208,
 &end
#
#   10 TRP  HE3          77 LEU  MDX         5.50    (#   2205:20  Unique         2.15, 6.13 A)
 &rst
  ixpk= 2205, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:2206    77 LEU  MDY         2.80    (#   2206:20  Single Ambig)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 373, 374, 375, 377, 378, 379, 193, 194, 195, 197,
       198, 199,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   79 VAL  MGX          77 LEU  MDY         2.80    (#   2207:20  Unique         2.00, 5.33 A)
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1225,1226,1227,1229,1230,1231,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  20-2:2208    75 HIS  HA          3.50    (#   2208:20  Single Ambig)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 932, 933, 934, 983, 984, 985, 987, 988, 989,
 &end
#
#    0 AMB  20-2:2209    75 HIS  HA          5.50    (#   2209:20  Single Ambig)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 405, 406, 371,1173,1174,1175,
 &end
#
#   19 PHE  HB-          54 ILE  QD1         3.50    (#   2211:20  Unique         2.41, 5.24 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 289, 290,
 igr2= 838, 839, 840,
 &end
#
#    0 AMB  20-2:2212    54 ILE  QG2         5.50    (#   2212:20  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 515, 516, 289, 290,
 igr2= 831, 832, 833,
 &end
#
#   52 PHE  HD           30 VAL  MGX         3.50    (#   2213:20  Unique         2.35, 5.20 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 802, 810,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   52 PHE  HB-          30 VAL  MGY         5.50    (#   2214:20  Unique         2.71, 5.14 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 798, 799,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   31 TRP  HE1          24 GLU  HB-         5.50    (#   2215:20  Unique         3.82, 6.19 A)
 &rst
  ixpk= 2215, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:2216     0 AMB  20-1:2216   5.50    (#   2216:20  Double Ambig)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 366, 104,
 igr2= 387, 388, 387, 388,
 &end
#
#    0 AMB  20-2:2217    24 GLU  HB-         5.50    (#   2217:20  Single Ambig)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 366, 104,
 igr2= 387, 388,
 &end
#
#   27 ALA  HN           24 GLU  HB+         5.50    (#   2218:20  Unique         2.31, 3.06 A)
 &rst
  ixpk= 2218, nxpk= 20, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 387, 388,
 &end
#
#   27 ALA  MB           24 GLU  HB+         3.50    (#   2219:20  Unique         2.05, 3.19 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 436, 437, 438,
 igr2= 387, 388,
 &end
#
#   27 ALA  MB           24 GLU  HB-         4.50    (#   2220:20  Unique         2.05, 3.19 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 436, 437, 438,
 igr2= 387, 388,
 &end
#
#   25 LYS  HN           23 LEU  MDX         5.50    (#   2221:20  Unique         3.81, 5.76 A)
 &rst
  ixpk= 2221, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  20-2:2222    12 LEU  MDY         3.50    (#   2222:20  Single Ambig)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 289, 290,1239,1240, 148, 149, 148, 149,
 igr2= 193, 194, 195, 197, 198, 199,
 &end
#
#   21 ILE  HN            9 THR  MG2         3.50    (#   2223:20  Unique         2.88, 4.40 A)
 &rst
  ixpk= 2223, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 136, 137, 138,
 &end
#
#   19 PHE  HB-          21 ILE  QD1         3.50    (#   2224:20  Unique         2.27, 4.13 A)
 &rst
  ixpk= 2224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 289, 290,
 igr2= 342, 343, 344,
 &end
#
#    0 AMB  20-2:2225     0 AMB  20-1:2225   5.50    (#   2225:20  Double Ambig)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  92,  90,
 igr2= 411, 412, 411, 412,
 &end
#
#   80 ASP  HA           58 ASP  HB-         5.50    (#   2226:20  Unique         2.64, 4.63 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 886, 887,
 &end
#
#   57 HIS  HB-          14 MET  ME          4.50    (#   2227:20  Unique         2.16, 5.14 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 869, 870,
 igr2= 231, 232, 233,
 &end
#
#   52 PHE  HZ           54 ILE  QD1         5.50    (#   2228:20  Unique         5.14, 8.20 A)
 &rst
  ixpk= 2228, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 838, 839, 840,
 &end
#
#   52 PHE  HE           30 VAL  MGY         4.50    (#   2230:20  Unique         2.02, 5.42 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 804, 808,
 igr2= 477, 478, 479, 481, 482, 483,
 &end
#
#   52 PHE  HZ           59 CYS  HB-         5.50    (#   2231:20  Unique         2.41, 4.57 A)
 &rst
  ixpk= 2231, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   60 TYR  HE           78 ILE  HB          5.50    (#   2232:20  Unique         2.81, 5.95 A)
 &rst
  ixpk= 2232, nxpk= 20, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 915, 920,
 &end
#
#   54 ILE  HN           57 HIS  HB+         5.50    (#   2233:20  Unique         2.87, 4.31 A)
 &rst
  ixpk= 2233, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#   54 ILE  HN           57 HIS  HB-         5.50    (#   2234:20  Unique         2.87, 4.31 A)
 &rst
  ixpk= 2234, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#   54 ILE  HN           14 MET  ME          5.50    (#   2235:20  Unique         4.37, 6.30 A)
 &rst
  ixpk= 2235, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 231, 232, 233,
 &end
#
#   52 PHE  HE           61 ILE  HB          5.50    (#   2236:20  Unique         3.33, 7.04 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 804, 808,
 &end
#
#   52 PHE  HZ           61 ILE  HG1-        5.50    (#   2237:20  Unique         2.22, 5.11 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 936, 937,
 &end
#
#   31 TRP  HA           32 CYS  HB+         5.50    (#   2238:20  Unique         4.16, 4.78 A)
 &rst
  ixpk= 2238, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 515, 516,
 &end
#
#   21 ILE  HA           32 CYS  HB+         5.50    (#   2239:20  Unique         3.70, 5.01 A)
 &rst
  ixpk= 2239, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 515, 516,
 &end
#
#   21 ILE  HA           32 CYS  HB-         5.50    (#   2240:20  Unique         3.70, 5.01 A)
 &rst
  ixpk= 2240, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 515, 516,
 &end
#
#   31 TRP  HD1          22 VAL  HB          5.50    (#   2241:20  Unique         3.16, 4.94 A)
 &rst
  ixpk= 2241, nxpk= 20, iat= 495, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2243     0 AMB  20-1:2243   5.50    (#   2243:20  Double Ambig)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 506, 152,
 igr2= 390, 391, 390, 391,
 &end
#
#   60 TYR  HE           62 LYS  HD-         5.50    (#   2244:20  Unique         3.17, 8.91 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 915, 920,
 igr2= 955, 956,
 &end
#
#   62 LYS  HE-          62 LYS  HD-         3.50    (#   2245:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 958, 959,
 igr2= 955, 956,
 &end
#
#   62 LYS  HE+          62 LYS  HD-         2.80    (#   2246:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 958, 959,
 igr2= 955, 956,
 &end
#
#   62 LYS  HA           62 LYS  HD-         5.50    (#   2247:20  Unique         4.01, 4.85 A)
 &rst
  ixpk= 2247, nxpk= 20, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   18 ASN  HA           13 HIS  HB+         5.50    (#   2248:20  Unique         2.63, 4.16 A)
 &rst
  ixpk= 2248, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 207, 208,
 &end
#
#   18 ASN  HA           13 HIS  HB-         5.50    (#   2249:20  Unique         2.63, 4.16 A)
 &rst
  ixpk= 2249, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 207, 208,
 &end
#
#   13 HIS  HN           14 MET  ME          5.50    (#   2251:20  Preassigned    4.46, 7.45 A)
 &rst
  ixpk= 2251, nxpk= 20, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:2252    14 MET  ME          5.50    (#   2252:20  Single Ambig)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 237, 285,
 igr2= 231, 232, 233,
 &end
#
#   63 ALA  HN           49 GLU  HA          4.50    (#   2253:20  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 2253, nxpk= 20, iat= 967, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LYS  HA           49 GLU  HA          2.80    (#   2254:20  Preassigned    2.62, 3.64 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 947, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ILE  HN           51 HIS  HA          4.50    (#   2255:20  Preassigned    4.30, 5.09 A)
 &rst
  ixpk= 2255, nxpk= 20, iat= 926, 779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 TYR  HA           51 HIS  HA          2.80    (#   2256:20  Preassigned    3.11, 3.98 A)
 &rst
  ixpk= 2256, nxpk= 20, iat= 907, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 HIS  HA           60 TYR  HA          2.80    (#   2257:20  Preassigned    3.11, 3.98 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 779, 907, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 THR  HN           64 VAL  HA          3.50    (#   2258:20  Preassigned    6.63, 7.28 A)
 &rst
  ixpk= 2258, nxpk= 20, iat= 734, 979, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 ILE  HA           65 SER  HA          3.50    (#   2259:20  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=1114, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 VAL  MGX          49 GLU  HG+         3.50    (#   2260:20  Unique         2.00, 4.57 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 693, 694, 695, 697, 698, 699,
 igr2= 755, 756,
 &end
#
#   44 VAL  MGY          49 GLU  HG+         3.50    (#   2261:20  Unique         2.00, 4.57 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 693, 694, 695, 697, 698, 699,
 igr2= 755, 756,
 &end
#
#    0 AMB  10-2:0       89 SER  HN          3.60    (#      0:10  Single Ambig)
 &rst
  ixpk= 0, nxpk= 10, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1381,1382,1381,1382,
 &end
#
#   89 SER  HA           89 SER  HN          3.60    (#      1:10  Unique         2.76, 2.89 A)
 &rst
  ixpk= 1, nxpk= 10, iat=1379,1377, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   88 ALA  HA           89 SER  HN          2.90    (#      2:10  Unique         2.15, 2.35 A)
 &rst
  ixpk= 2, nxpk= 10, iat=1369,1377, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   87 ILE  QG2          89 SER  HN          5.60    (#      3:10  Unique         2.38, 4.36 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1354,1355,1356,
 &end
#
#   88 ALA  MB           89 SER  HN          3.60    (#      4:10  Preassigned    3.56, 4.34 A)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1371,1372,1373,
 &end
#
#   86 GLU  HN           87 ILE  HN          4.60    (#     10:10  Preassigned    4.58, 4.63 A)
 &rst
  ixpk= 10, nxpk= 10, iat=1333,1348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   10 TRP  HD1          87 ILE  HN          5.60    (#     11:10  Unique         2.51, 6.07 A)
 &rst
  ixpk= 11, nxpk= 10, iat= 152,1348, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 TRP  HA           87 ILE  HN          3.60    (#     12:10  Unique         3.18, 3.58 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 146,1348, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   87 ILE  HA           87 ILE  HN          2.90    (#     13:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 13, nxpk= 10, iat=1350,1348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   86 GLU  HA           87 ILE  HN          2.90    (#     14:10  Unique         2.29, 2.43 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1335,1348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   87 ILE  HB           87 ILE  HN          3.60    (#     15:10  Unique         2.55, 2.61 A)
 &rst
  ixpk= 15, nxpk= 10, iat=1352,1348, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   86 GLU  HG+          87 ILE  HN          2.90    (#     16:10  Unique         1.95, 2.41 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1340,1341,
 &end
#
#   87 ILE  HG1-         87 ILE  HN          3.60    (#     17:10  Unique         1.95, 2.71 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1358,1359,
 &end
#
#   87 ILE  HG1+         87 ILE  HN          2.90    (#     18:10  Unique         1.95, 2.71 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1358,1359,
 &end
#
#   87 ILE  QD1          87 ILE  HN          4.60    (#     19:10  Unique         2.23, 4.04 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1361,1362,1363,
 &end
#
#   87 ILE  QG2          87 ILE  HN          4.60    (#     20:10  Preassigned    4.38, 4.53 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1354,1355,1356,
 &end
#
#   10 TRP  HE1          86 GLU  HN          5.60    (#     21:10  Unique         2.65, 7.45 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 154,1333, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   87 ILE  HN           86 GLU  HN          5.60    (#     22:10  Unique         4.58, 4.63 A)
 &rst
  ixpk= 22, nxpk= 10, iat=1348,1333, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 TRP  HD1          86 GLU  HN          5.60    (#     23:10  Unique         3.65, 7.04 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 152,1333, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   85 PRO  HA           86 GLU  HN          3.60    (#     24:10  Unique         2.23, 2.34 A)
 &rst
  ixpk= 24, nxpk= 10, iat=1329,1333, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   86 GLU  HA           86 GLU  HN          2.90    (#     25:10  Unique         2.76, 2.77 A)
 &rst
  ixpk= 25, nxpk= 10, iat=1335,1333, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   85 PRO  HB+          86 GLU  HN          3.60    (#     26:10  Unique         2.17, 3.18 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1326,1327,
 &end
#
#   85 PRO  HB-          86 GLU  HN          3.60    (#     27:10  Unique         2.17, 3.18 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1326,1327,
 &end
#
#   86 GLU  HB-          86 GLU  HN          2.90    (#     28:10  Unique         2.14, 2.56 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1337,1338,
 &end
#
#   86 GLU  HB+          86 GLU  HN          2.90    (#     29:10  Unique         2.14, 2.56 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1337,1338,
 &end
#
#   83 GLU  HN           84 ILE  HN          4.60    (#     30:10  Preassigned    4.52, 4.57 A)
 &rst
  ixpk= 30, nxpk= 10, iat=1285,1300, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:31       0 AMB  10-1:31     3.60    (#     31:10  Double Ambig)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1302, 729, 730,
 igr2=1300, 967,
 &end
#
#   83 GLU  HA           84 ILE  HN          2.90    (#     32:10  Unique         2.15, 2.18 A)
 &rst
  ixpk= 32, nxpk= 10, iat=1287,1300, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   84 ILE  HB           84 ILE  HN          2.90    (#     33:10  Unique         2.65, 2.74 A)
 &rst
  ixpk= 33, nxpk= 10, iat=1304,1300, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:34      84 ILE  HN          3.60    (#     34:10  Single Ambig)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1289,1290,1289,1290,
 &end
#
#    0 AMB  10-2:35       0 AMB  10-1:35     2.90    (#     35:10  Double Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 949, 950,1310,1311,
 igr2= 967,1300,
 &end
#
#    0 AMB  10-2:36       0 AMB  10-1:36     4.60    (#     36:10  Double Ambig)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1306,1307,1308, 740, 741, 742,
 igr2=1300, 967,
 &end
#
#    0 AMB  10-2:37      63 ALA  HN          3.60    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 932, 933, 934, 983, 984, 985, 987, 988, 989,
 &end
#
#   84 ILE  QD1          84 ILE  HN          3.60    (#     38:10  Preassigned    3.83, 4.56 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1313,1314,1315,
 &end
#
#   84 ILE  HN           83 GLU  HN          4.60    (#     40:10  Preassigned    4.52, 4.57 A)
 &rst
  ixpk= 40, nxpk= 10, iat=1300,1285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   82 ARG  HN           83 GLU  HN          4.60    (#     41:10  Unique         4.19, 4.34 A)
 &rst
  ixpk= 41, nxpk= 10, iat=1261,1285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   83 GLU  HA           83 GLU  HN          2.90    (#     42:10  Unique         2.76, 2.84 A)
 &rst
  ixpk= 42, nxpk= 10, iat=1287,1285, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   82 ARG  HA           83 GLU  HN          3.60    (#     43:10  Unique         2.23, 2.30 A)
 &rst
  ixpk= 43, nxpk= 10, iat=1263,1285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   83 GLU  HG+          83 GLU  HN          4.60    (#     44:10  Unique         4.04, 4.36 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1292,1293,
 &end
#
#   83 GLU  HG-          83 GLU  HN          4.60    (#     45:10  Unique         4.04, 4.36 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1292,1293,
 &end
#
#    0 AMB  10-2:46      83 GLU  HN          2.90    (#     46:10  Single Ambig)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1289,1290,1289,1290,
 &end
#
#    0 AMB  10-2:47      83 GLU  HN          3.60    (#     47:10  Single Ambig)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1289,1290,1265,1266,
 &end
#
#    0 AMB  10-2:48      83 GLU  HN          3.60    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1268,1269,1268,1269,
 &end
#
#   78 ILE  QD1          83 GLU  HN          5.60    (#     49:10  Unique         3.86, 4.73 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1213,1214,1215,
 &end
#
#   81 ASN  HN           82 ARG  HN          3.60    (#     50:10  Unique         2.63, 2.76 A)
 &rst
  ixpk= 50, nxpk= 10, iat=1247,1261, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   79 VAL  HN           82 ARG  HN          2.90    (#     51:10  Unique         2.90, 3.19 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1219,1261, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   82 ARG  HA           82 ARG  HN          2.90    (#     52:10  Unique         2.81, 2.88 A)
 &rst
  ixpk= 52, nxpk= 10, iat=1263,1261, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   81 ASN  HA           82 ARG  HN          3.60    (#     53:10  Unique         2.48, 2.70 A)
 &rst
  ixpk= 53, nxpk= 10, iat=1249,1261, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:54      82 ARG  HN          2.90    (#     54:10  Single Ambig)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1265,1266,1265,1266,
 &end
#
#   82 ARG  HB-          82 ARG  HN          2.90    (#     55:10  Unique         2.62, 3.47 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1265,1266,
 &end
#
#   82 ARG  HG-          82 ARG  HN          3.60    (#     56:10  Preassigned    2.80, 3.69 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1268,1269,
 &end
#
#   82 ARG  HG+          82 ARG  HN          3.60    (#     57:10  Preassigned    2.80, 3.69 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1268,1269,
 &end
#
#   78 ILE  QG2          82 ARG  HN          2.90    (#     58:10  Unique         1.96, 3.04 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1206,1207,1208,
 &end
#
#    0 AMB  10-2:59      82 ARG  HN          4.60    (#     59:10  Single Ambig)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
 &end
#
#   80 ASP  HN           81 ASN  HN          2.90    (#     61:10  Unique         2.60, 2.72 A)
 &rst
  ixpk= 61, nxpk= 10, iat=1235,1247, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   79 VAL  HN           81 ASN  HN          5.60    (#     62:10  Unique         4.22, 4.37 A)
 &rst
  ixpk= 62, nxpk= 10, iat=1219,1247, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   82 ARG  HN           81 ASN  HN          2.90    (#     63:10  Unique         2.63, 2.76 A)
 &rst
  ixpk= 63, nxpk= 10, iat=1261,1247, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   80 ASP  HA           81 ASN  HN          3.60    (#     64:10  Unique         2.82, 2.90 A)
 &rst
  ixpk= 64, nxpk= 10, iat=1237,1247, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   79 VAL  HA           81 ASN  HN          3.60    (#     65:10  Unique         3.36, 3.55 A)
 &rst
  ixpk= 65, nxpk= 10, iat=1221,1247, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   81 ASN  HA           81 ASN  HN          2.90    (#     66:10  Unique         2.27, 2.27 A)
 &rst
  ixpk= 66, nxpk= 10, iat=1249,1247, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   81 ASN  HB+          81 ASN  HN          3.60    (#     67:10  Unique         3.08, 3.70 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1251,1252,
 &end
#
#   81 ASN  HB-          81 ASN  HN          3.60    (#     68:10  Unique         3.08, 3.70 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1251,1252,
 &end
#
#    0 AMB  10-2:69      81 ASN  HN          5.60    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 886, 887,1239,1240,
 &end
#
#   78 ILE  QG2          81 ASN  HN          3.60    (#     70:10  Unique         2.53, 3.77 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1206,1207,1208,
 &end
#
#   81 ASN  HN           80 ASP  HN          2.90    (#     71:10  Unique         2.60, 2.72 A)
 &rst
  ixpk= 71, nxpk= 10, iat=1247,1235, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:72      80 ASP  HN          5.60    (#     72:10  Single Ambig)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 875,1219,
 &end
#
#   59 CYS  HA           80 ASP  HN          4.60    (#     73:10  Unique         3.11, 3.73 A)
 &rst
  ixpk= 73, nxpk= 10, iat= 896,1235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   80 ASP  HA           80 ASP  HN          2.90    (#     74:10  Unique         2.27, 2.28 A)
 &rst
  ixpk= 74, nxpk= 10, iat=1237,1235, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   79 VAL  HA           80 ASP  HN          2.90    (#     75:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 75, nxpk= 10, iat=1221,1235, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   80 ASP  HB+          80 ASP  HN          3.60    (#     76:10  Unique         2.96, 3.44 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1239,1240,
 &end
#
#    0 AMB  10-2:77      80 ASP  HN          3.60    (#     77:10  Single Ambig)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 886, 887,1239,1240,
 &end
#
#   79 VAL  MGY          80 ASP  HN          2.90    (#     78:10  Unique         2.01, 4.17 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   79 VAL  MGX          80 ASP  HN          3.60    (#     79:10  Unique         2.01, 4.17 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   80 ASP  HN           79 VAL  HN          5.60    (#     80:10  Unique         4.32, 4.43 A)
 &rst
  ixpk= 80, nxpk= 10, iat=1235,1219, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:81      79 VAL  HN          3.60    (#     81:10  Single Ambig)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1300,1247, 905,
 &end
#
#   82 ARG  HN           79 VAL  HN          2.90    (#     82:10  Unique         2.90, 3.19 A)
 &rst
  ixpk= 82, nxpk= 10, iat=1261,1219, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   83 GLU  HA           79 VAL  HN          4.60    (#     83:10  Unique         3.97, 4.41 A)
 &rst
  ixpk= 83, nxpk= 10, iat=1287,1219, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   78 ILE  HA           79 VAL  HN          2.90    (#     84:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 84, nxpk= 10, iat=1202,1219, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   79 VAL  HA           79 VAL  HN          3.60    (#     85:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 85, nxpk= 10, iat=1221,1219, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:86      79 VAL  HN          2.90    (#     86:10  Single Ambig)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1223,1268,1269,
 &end
#
#   78 ILE  HG1-         79 VAL  HN          4.60    (#     87:10  Preassigned    5.17, 5.42 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1210,1211,
 &end
#
#   79 VAL  MGY          79 VAL  HN          2.90    (#     88:10  Preassigned    1.95, 3.98 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   84 ILE  HG1+         79 VAL  HN          4.60    (#     89:10  Unique         1.94, 2.42 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1310,1311,
 &end
#
#   79 VAL  MGX          79 VAL  HN          2.90    (#     90:10  Unique         1.95, 3.98 A)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#    0 AMB  10-2:91      79 VAL  HN          3.60    (#     91:10  Single Ambig)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1206,1207,1208,1204,
 &end
#
#   60 TYR  HN           78 ILE  HN          4.60    (#     92:10  Unique         2.63, 2.96 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 905,1200, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   77 LEU  HN           78 ILE  HN          5.60    (#     94:10  Unique         4.36, 4.47 A)
 &rst
  ixpk= 94, nxpk= 10, iat=1181,1200, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:95       0 AMB  10-1:95     3.60    (#     95:10  Double Ambig)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 489, 928,
 igr2= 587,1200,
 &end
#
#   78 ILE  HA           78 ILE  HN          3.60    (#     96:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 96, nxpk= 10, iat=1202,1200, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   77 LEU  HA           78 ILE  HN          2.90    (#     97:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 97, nxpk= 10, iat=1183,1200, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   78 ILE  HG1-         78 ILE  HN          4.60    (#     98:10  Unique         2.41, 3.39 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1210,1211,
 &end
#
#   77 LEU  HB+          78 ILE  HN          4.60    (#    100:10  Unique         3.86, 4.23 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1185,1186,
 &end
#
#    0 AMB  10-2:101      0 AMB  10-1:101    3.60    (#    101:10  Double Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 596, 597, 598, 600, 601, 602,1213,1214,1215,
 igr2= 587,1200,
 &end
#
#   78 ILE  HB           78 ILE  HN          2.90    (#    102:10  Unique         2.56, 2.61 A)
 &rst
  ixpk= 102, nxpk= 10, iat=1204,1200, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   36 LYS  HB-          37 LEU  HN          3.60    (#    103:10  Unique         2.39, 3.80 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 569, 570,
 &end
#
#   77 LEU  MDX          78 ILE  HN          3.60    (#    104:10  Unique         2.19, 4.59 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  10-2:105      0 AMB  10-1:105    3.60    (#    105:10  Double Ambig)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 572, 573,1190,1191,1192,1194,1195,1196,
 igr2= 587,1200,
 &end
#
#   77 LEU  HB-          78 ILE  HN          4.60    (#    106:10  Unique         3.86, 4.23 A)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1185,1186,
 &end
#
#   36 LYS  HA           37 LEU  HN          2.90    (#    107:10  Unique         2.14, 2.24 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 567, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   10 TRP  HE1          77 LEU  HN          3.60    (#    108:10  Unique         3.84, 7.53 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 154,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   10 TRP  HZ2          77 LEU  HN          3.60    (#    109:10  Unique         3.01, 7.80 A)
 &rst
  ixpk= 109, nxpk= 10, iat= 157,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   76 THR  HA           77 LEU  HN          2.90    (#    110:10  Unique         2.15, 2.18 A)
 &rst
  ixpk= 110, nxpk= 10, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   77 LEU  HA           77 LEU  HN          3.60    (#    111:10  Unique         2.88, 2.88 A)
 &rst
  ixpk= 111, nxpk= 10, iat=1183,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:112     77 LEU  HN          4.60    (#    112:10  Single Ambig)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1171,1320,1321,
 &end
#
#   76 THR  MG2          77 LEU  HN          2.90    (#    113:10  Unique         2.37, 3.28 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1173,1174,1175,
 &end
#
#   77 LEU  HB+          77 LEU  HN          3.60    (#    114:10  Unique         2.26, 2.56 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1185,1186,
 &end
#
#    0 AMB  10-2:115     77 LEU  HN          4.60    (#    115:10  Single Ambig)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1188, 936, 937,1210,1211, 939, 940, 941,
 &end
#
#   77 LEU  MDX          77 LEU  HN          5.60    (#    116:10  Unique         4.23, 5.21 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  MDY          77 LEU  HN          4.60    (#    117:10  Unique         4.23, 5.21 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   77 LEU  HB-          77 LEU  HN          2.90    (#    118:10  Unique         2.26, 2.56 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1185,1186,
 &end
#
#   62 LYS  HN           76 THR  HN          3.60    (#    119:10  Unique         2.53, 2.99 A)
 &rst
  ixpk= 119, nxpk= 10, iat= 945,1167, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:120     76 THR  HN          5.60    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1150,1131,
 &end
#
#   77 LEU  HN           76 THR  HN          5.60    (#    121:10  Unique         4.41, 4.47 A)
 &rst
  ixpk= 121, nxpk= 10, iat=1181,1167, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   75 HIS  HA           76 THR  HN          2.90    (#    122:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 122, nxpk= 10, iat=1152,1167, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   63 ALA  HA           76 THR  HN          3.60    (#    123:10  Preassigned    3.43, 3.76 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 969,1167, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   76 THR  HA           76 THR  HN          2.90    (#    124:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 124, nxpk= 10, iat=1169,1167, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   76 THR  HB           76 THR  HN          2.90    (#    125:10  Unique         2.49, 2.55 A)
 &rst
  ixpk= 125, nxpk= 10, iat=1171,1167, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   75 HIS  HB+          76 THR  HN          4.60    (#    126:10  Unique         3.59, 4.08 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1154,1155,
 &end
#
#   75 HIS  HB-          76 THR  HN          3.60    (#    127:10  Preassigned    3.59, 4.08 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1154,1155,
 &end
#
#   62 LYS  HB+          76 THR  HN          5.60    (#    128:10  Unique         3.17, 4.92 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 949, 950,
 &end
#
#   76 THR  MG2          76 THR  HN          4.60    (#    129:10  Preassigned    4.36, 4.61 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1173,1174,1175,
 &end
#
#    0 AMB  10-2:130     76 THR  HN          2.90    (#    130:10  Single Ambig)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 932, 933, 934, 983, 984, 985, 987, 988, 989,
 &end
#
#   75 HIS  HA           75 HIS  HN          4.60    (#    131:10  Unique         2.76, 2.77 A)
 &rst
  ixpk= 131, nxpk= 10, iat=1152,1150, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   75 HIS  HB+          75 HIS  HN          3.60    (#    132:10  Unique         2.28, 3.02 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1154,1155,
 &end
#
#   74 ILE  HA           75 HIS  HN          3.60    (#    133:10  Unique         2.15, 2.28 A)
 &rst
  ixpk= 133, nxpk= 10, iat=1133,1150, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   75 HIS  HB-          75 HIS  HN          3.60    (#    134:10  Unique         2.28, 3.02 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1154,1155,
 &end
#
#   74 ILE  HB           75 HIS  HN          4.60    (#    135:10  Preassigned    4.29, 4.42 A)
 &rst
  ixpk= 135, nxpk= 10, iat=1135,1150, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   74 ILE  HG1+         75 HIS  HN          5.60    (#    136:10  Unique         5.11, 5.52 A)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1141,1142,
 &end
#
#   74 ILE  QG2          75 HIS  HN          3.60    (#    137:10  Unique         2.93, 4.43 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1137,1138,1139,
 &end
#
#   73 ILE  HN           74 ILE  HN          5.60    (#    138:10  Unique         4.44, 4.58 A)
 &rst
  ixpk= 138, nxpk= 10, iat=1112,1131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   65 SER  HA           74 ILE  HN          5.60    (#    139:10  Unique         3.05, 3.92 A)
 &rst
  ixpk= 139, nxpk= 10, iat= 995,1131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:140     74 ILE  HN          2.90    (#    140:10  Single Ambig)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1114,1133,
 &end
#
#   74 ILE  HB           74 ILE  HN          3.60    (#    141:10  Unique         2.61, 2.74 A)
 &rst
  ixpk= 141, nxpk= 10, iat=1135,1131, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   73 ILE  HB           74 ILE  HN          4.60    (#    142:10  Preassigned    3.83, 4.03 A)
 &rst
  ixpk= 142, nxpk= 10, iat=1116,1131, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   74 ILE  HG1-         74 ILE  HN          3.60    (#    143:10  Unique         2.43, 3.43 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1141,1142,
 &end
#
#   74 ILE  HG1+         74 ILE  HN          3.60    (#    144:10  Unique         2.43, 3.43 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1141,1142,
 &end
#
#   74 ILE  QG2          74 ILE  HN          4.60    (#    145:10  Preassigned    4.43, 4.70 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1137,1138,1139,
 &end
#
#   74 ILE  QD1          74 ILE  HN          3.60    (#    146:10  Unique         3.65, 4.49 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1144,1145,1146,
 &end
#
#   73 ILE  QG2          74 ILE  HN          2.90    (#    147:10  Unique         2.23, 3.18 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1118,1119,1120,
 &end
#
#   74 ILE  HN           73 ILE  HN          5.60    (#    148:10  Preassigned    4.44, 4.58 A)
 &rst
  ixpk= 148, nxpk= 10, iat=1131,1112, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   72 GLY  HA+          73 ILE  HN          2.90    (#    149:10  Unique         2.29, 3.11 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1107,1108,
 &end
#
#    0 AMB  10-2:150     73 ILE  HN          2.90    (#    150:10  Single Ambig)
 &rst
  ixpk= 150, nxpk= 10, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1114,1133,
 &end
#
#   72 GLY  HA-          73 ILE  HN          2.90    (#    151:10  Unique         2.29, 3.11 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1107,1108,
 &end
#
#   73 ILE  HB           73 ILE  HN          2.90    (#    152:10  Unique         2.50, 2.54 A)
 &rst
  ixpk= 152, nxpk= 10, iat=1116,1112, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   73 ILE  HG1-         73 ILE  HN          3.60    (#    153:10  Unique         2.04, 2.91 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1122,1123,
 &end
#
#   73 ILE  HG1+         73 ILE  HN          3.60    (#    154:10  Unique         2.04, 2.91 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1122,1123,
 &end
#
#   73 ILE  QD1          73 ILE  HN          3.60    (#    155:10  Unique         3.30, 4.13 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1125,1126,1127,
 &end
#
#   73 ILE  QG2          73 ILE  HN          4.60    (#    156:10  Unique         4.39, 4.54 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1118,1119,1120,
 &end
#
#   73 ILE  HN           72 GLY  HN          4.60    (#    157:10  Unique         1.99, 2.80 A)
 &rst
  ixpk= 157, nxpk= 10, iat=1112,1105, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   72 GLY  HA+          72 GLY  HN          2.90    (#    158:10  Unique         2.29, 2.69 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1107,1108,
 &end
#
#   71 GLU  HA           72 GLY  HN          3.60    (#    159:10  Unique         2.14, 2.64 A)
 &rst
  ixpk= 159, nxpk= 10, iat=1092,1105, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   72 GLY  HA-          72 GLY  HN          2.90    (#    160:10  Unique         2.29, 2.69 A)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1107,1108,
 &end
#
#   71 GLU  HB-          72 GLY  HN          4.60    (#    161:10  Unique         2.09, 4.07 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1094,1095,
 &end
#
#   71 GLU  HA           71 GLU  HN          3.60    (#    162:10  Unique         2.28, 2.81 A)
 &rst
  ixpk= 162, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   70 LYS  HA           71 GLU  HN          3.60    (#    163:10  Unique         2.14, 2.98 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1070,1090, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:164     71 GLU  HN          3.60    (#    164:10  Single Ambig)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1097,1098,1097,1098,
 &end
#
#   71 GLU  HB+          71 GLU  HN          3.60    (#    165:10  Unique         2.14, 2.95 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1094,1095,
 &end
#
#   71 GLU  HB-          71 GLU  HN          3.60    (#    166:10  Unique         2.14, 2.95 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1094,1095,
 &end
#
#    0 AMB  10-2:167     71 GLU  HN          4.60    (#    167:10  Single Ambig)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1078,1079,1078,1079,
 &end
#
#    0 AMB  10-2:168     71 GLU  HN          3.60    (#    168:10  Single Ambig)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1072,1073,1072,1073,
 &end
#
#    0 AMB  10-2:169     71 GLU  HN          5.60    (#    169:10  Single Ambig)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1075,1076,1075,1076,
 &end
#
#   56 ASN  HN           57 HIS  HN          3.60    (#    170:10  Unique         1.90, 2.48 A)
 &rst
  ixpk= 170, nxpk= 10, iat= 851, 865, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   58 ASP  HN           57 HIS  HN          4.60    (#    171:10  Preassigned    4.25, 4.41 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 882, 865, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   54 ILE  HN           57 HIS  HN          3.60    (#    172:10  Unique         3.26, 3.93 A)
 &rst
  ixpk= 172, nxpk= 10, iat= 825, 865, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   57 HIS  HD2          57 HIS  HN          3.60    (#    174:10  Unique         2.90, 4.79 A)
 &rst
  ixpk= 174, nxpk= 10, iat= 878, 865, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   66 SER  HB+          66 SER  HN          3.60    (#    175:10  Preassigned    2.14, 2.96 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1008,1009,
 &end
#
#   66 SER  HB-          66 SER  HN          4.60    (#    176:10  Unique         2.14, 2.96 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1008,1009,
 &end
#
#   57 HIS  HB+          57 HIS  HN          2.90    (#    177:10  Unique         2.19, 3.15 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 869, 870,
 &end
#
#   57 HIS  HB-          57 HIS  HN          2.90    (#    178:10  Unique         2.19, 3.15 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 869, 870,
 &end
#
#   65 SER  HA           66 SER  HN          2.90    (#    179:10  Unique         2.14, 2.50 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 995,1004, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   64 VAL  HN           65 SER  HN          4.60    (#    180:10  Unique         4.17, 4.36 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 977, 993, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:181     65 SER  HN          4.60    (#    181:10  Single Ambig)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1114,1046,
 &end
#
#   65 SER  HA           65 SER  HN          2.90    (#    182:10  Unique         2.77, 2.86 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 995, 993, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   64 VAL  HA           65 SER  HN          2.90    (#    183:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 183, nxpk= 10, iat= 979, 993, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   65 SER  HB-          65 SER  HN          3.60    (#    184:10  Unique         2.26, 3.05 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 997, 998,
 &end
#
#   65 SER  HB+          65 SER  HN          2.90    (#    185:10  Unique         2.26, 3.05 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 997, 998,
 &end
#
#   64 VAL  HB           65 SER  HN          4.60    (#    186:10  Unique         3.89, 4.23 A)
 &rst
  ixpk= 186, nxpk= 10, iat= 981, 993, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   64 VAL  MGX          65 SER  HN          2.90    (#    187:10  Unique         2.02, 4.38 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   63 ALA  HN           64 VAL  HN          4.60    (#    188:10  Unique         4.13, 4.26 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 967, 977, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   75 HIS  HA           64 VAL  HN          5.60    (#    189:10  Unique         3.42, 3.74 A)
 &rst
  ixpk= 189, nxpk= 10, iat=1152, 977, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   63 ALA  HA           64 VAL  HN          2.90    (#    190:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 969, 977, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   64 VAL  HA           64 VAL  HN          3.60    (#    191:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 191, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   64 VAL  HB           64 VAL  HN          2.90    (#    192:10  Unique         2.52, 2.60 A)
 &rst
  ixpk= 192, nxpk= 10, iat= 981, 977, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:193     64 VAL  HN          4.60    (#    193:10  Single Ambig)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1135, 955, 956,
 &end
#
#   64 VAL  MGX          64 VAL  HN          2.90    (#    194:10  Unique         2.27, 3.98 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   73 ILE  QG2          64 VAL  HN          3.60    (#    195:10  Unique         2.60, 3.80 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1118,1119,1120,
 &end
#
#   62 LYS  HN           63 ALA  HN          5.60    (#    196:10  Unique         4.39, 4.47 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 945, 967, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   48 THR  HN           63 ALA  HN          3.60    (#    197:10  Unique         3.80, 3.95 A)
 &rst
  ixpk= 197, nxpk= 10, iat= 734, 967, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   62 LYS  HA           63 ALA  HN          2.90    (#    198:10  Unique         2.16, 2.23 A)
 &rst
  ixpk= 198, nxpk= 10, iat= 947, 967, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   63 ALA  HA           63 ALA  HN          2.90    (#    199:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 199, nxpk= 10, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   49 GLU  HA           63 ALA  HN          4.60    (#    200:10  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 750, 967, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   63 ALA  MB           63 ALA  HN          2.90    (#    201:10  Unique         2.19, 3.01 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 971, 972, 973,
 &end
#
#    0 AMB  10-2:202     63 ALA  HN          3.60    (#    202:10  Single Ambig)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 952, 953, 952, 953,
 &end
#
#    0 AMB  10-2:203     63 ALA  HN          4.60    (#    203:10  Single Ambig)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1118,1119,1120,1213,1214,1215,
 &end
#
#   83 GLU  HG+          84 ILE  HN          3.60    (#    205:10  Unique         2.08, 3.13 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1292,1293,
 &end
#
#   62 LYS  HA           62 LYS  HN          2.90    (#    206:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 206, nxpk= 10, iat= 947, 945, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   61 ILE  HA           62 LYS  HN          2.90    (#    207:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 207, nxpk= 10, iat= 928, 945, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   62 LYS  HB+          62 LYS  HN          3.60    (#    208:10  Unique         2.44, 3.23 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 949, 950,
 &end
#
#    0 AMB  10-2:209     62 LYS  HN          5.60    (#    209:10  Single Ambig)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 952, 953, 952, 953,
 &end
#
#   62 LYS  HB-          62 LYS  HN          4.60    (#    210:10  Unique         2.44, 3.23 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 949, 950,
 &end
#
#   61 ILE  QG2          62 LYS  HN          3.60    (#    211:10  Unique         2.03, 3.40 A)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 932, 933, 934,
 &end
#
#   50 THR  HN           61 ILE  HN          3.60    (#    212:10  Unique         2.16, 2.69 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 763, 926, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   52 PHE  HE           61 ILE  HN          3.60    (#    213:10  Unique         2.30, 6.47 A)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 804, 808,
 &end
#
#   60 TYR  HD           61 ILE  HN          5.60    (#    214:10  Unique         2.55, 4.31 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 913, 922,
 &end
#
#   51 HIS  HA           61 ILE  HN          4.60    (#    215:10  Preassigned    4.30, 5.09 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 779, 926, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   60 TYR  HA           61 ILE  HN          2.90    (#    216:10  Unique         2.16, 2.35 A)
 &rst
  ixpk= 216, nxpk= 10, iat= 907, 926, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   50 THR  HB           61 ILE  HN          3.60    (#    217:10  Unique         1.95, 3.07 A)
 &rst
  ixpk= 217, nxpk= 10, iat= 767, 926, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   60 TYR  HB+          61 ILE  HN          4.60    (#    218:10  Preassigned    2.10, 3.36 A)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 909, 910,
 &end
#
#   60 TYR  HB-          61 ILE  HN          2.90    (#    219:10  Unique         2.10, 3.36 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 909, 910,
 &end
#
#    0 AMB  10-2:220     61 ILE  HN          3.60    (#    220:10  Single Ambig)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 936, 937, 752, 753,
 &end
#
#   61 ILE  HB           61 ILE  HN          2.90    (#    221:10  Unique         2.46, 2.67 A)
 &rst
  ixpk= 221, nxpk= 10, iat= 930, 926, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   61 ILE  QG2          61 ILE  HN          4.60    (#    222:10  Unique         4.36, 4.66 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 932, 933, 934,
 &end
#
#    0 AMB  10-2:223     61 ILE  HN          3.60    (#    223:10  Single Ambig)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 939, 940, 941, 936, 937,
 &end
#
#   78 ILE  HN           60 TYR  HN          4.60    (#    224:10  Unique         2.63, 2.96 A)
 &rst
  ixpk= 224, nxpk= 10, iat=1200, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   61 ILE  HN           60 TYR  HN          4.60    (#    225:10  Unique         4.06, 4.29 A)
 &rst
  ixpk= 225, nxpk= 10, iat= 926, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   59 CYS  HN           60 TYR  HN          4.60    (#    226:10  Unique         4.36, 4.45 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 894, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   60 TYR  HE           60 TYR  HN          5.60    (#    227:10  Unique         4.67, 6.31 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 915, 920,
 &end
#
#   60 TYR  HD           60 TYR  HN          3.60    (#    228:10  Unique         3.06, 4.50 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 913, 922,
 &end
#
#   59 CYS  HA           60 TYR  HN          2.90    (#    229:10  Unique         2.25, 2.37 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 896, 905, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   60 TYR  HA           60 TYR  HN          3.60    (#    230:10  Unique         2.80, 2.86 A)
 &rst
  ixpk= 230, nxpk= 10, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   79 VAL  HA           60 TYR  HN          4.60    (#    231:10  Unique         3.70, 3.90 A)
 &rst
  ixpk= 231, nxpk= 10, iat=1221, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   59 CYS  HB+          60 TYR  HN          2.90    (#    232:10  Preassigned    2.24, 3.21 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 898, 899,
 &end
#
#   59 CYS  HB-          60 TYR  HN          3.60    (#    233:10  Unique         2.24, 3.21 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 898, 899,
 &end
#
#    0 AMB  10-2:234     60 TYR  HN          4.60    (#    234:10  Single Ambig)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1188, 936, 937,1210,1211, 939, 940, 941,
 &end
#
#   79 VAL  MGX          60 TYR  HN          4.60    (#    235:10  Unique         2.94, 5.53 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   78 ILE  HB           60 TYR  HN          4.60    (#    236:10  Unique         2.80, 3.46 A)
 &rst
  ixpk= 236, nxpk= 10, iat=1204, 905, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   77 LEU  MDX          60 TYR  HN          3.60    (#    237:10  Unique         2.39, 5.10 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  10-2:238     59 CYS  HN          4.60    (#    238:10  Single Ambig)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 905,1247,
 &end
#
#   52 PHE  HN           59 CYS  HN          4.60    (#    239:10  Unique         3.87, 4.54 A)
 &rst
  ixpk= 239, nxpk= 10, iat= 794, 894, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   54 ILE  HN           59 CYS  HN          5.60    (#    240:10  Unique         3.71, 4.45 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 825, 894, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   59 CYS  HA           59 CYS  HN          3.60    (#    241:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   58 ASP  HB+          59 CYS  HN          3.60    (#    242:10  Preassigned    2.54, 3.77 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 886, 887,
 &end
#
#   59 CYS  HB+          59 CYS  HN          3.60    (#    243:10  Preassigned    2.66, 3.25 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 898, 899,
 &end
#
#    0 AMB  10-2:244      0 AMB  10-1:244    3.60    (#    244:10  Double Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 405, 406, 898, 899,
 igr2= 398, 894,
 &end
#
#   59 CYS  HG           59 CYS  HN          3.60    (#    245:10  Preassigned    2.86, 4.20 A)
 &rst
  ixpk= 245, nxpk= 10, iat= 901, 894, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   80 ASP  HN           58 ASP  HN          4.60    (#    246:10  Unique         3.46, 3.79 A)
 &rst
  ixpk= 246, nxpk= 10, iat=1235, 882, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   57 HIS  HN           58 ASP  HN          5.60    (#    247:10  Unique         4.25, 4.41 A)
 &rst
  ixpk= 247, nxpk= 10, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   59 CYS  HN           58 ASP  HN          5.60    (#    248:10  Unique         4.06, 4.40 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 894, 882, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   57 HIS  HA           58 ASP  HN          2.90    (#    250:10  Unique         2.19, 2.45 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   80 ASP  HA           58 ASP  HN          4.60    (#    251:10  Unique         3.89, 4.15 A)
 &rst
  ixpk= 251, nxpk= 10, iat=1237, 882, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   57 HIS  HB+          58 ASP  HN          3.60    (#    252:10  Unique         1.96, 3.15 A)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 869, 870,
 &end
#
#   58 ASP  HB+          58 ASP  HN          2.90    (#    253:10  Unique         2.22, 3.05 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 886, 887,
 &end
#
#    0 AMB  10-2:254     58 ASP  HN          2.90    (#    254:10  Single Ambig)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 869, 870, 886, 887,
 &end
#
#   79 VAL  MGY          58 ASP  HN          5.60    (#    255:10  Unique         3.26, 6.17 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1225,1226,1227,1229,1230,1231,
 &end
#
#   57 HIS  HN           56 ASN  HN          3.60    (#    256:10  Unique         1.90, 2.48 A)
 &rst
  ixpk= 256, nxpk= 10, iat= 865, 851, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   56 ASN  HA           56 ASN  HN          2.90    (#    257:10  Unique         2.27, 2.74 A)
 &rst
  ixpk= 257, nxpk= 10, iat= 853, 851, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   55 GLY  HA+          56 ASN  HN          2.90    (#    258:10  Unique         2.14, 2.92 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 846, 847,
 &end
#
#   55 GLY  HA-          56 ASN  HN          3.60    (#    259:10  Unique         2.14, 2.92 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 846, 847,
 &end
#
#   56 ASN  HB+          56 ASN  HN          3.60    (#    260:10  Unique         2.38, 3.24 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 855, 856,
 &end
#
#   56 ASN  HB-          56 ASN  HN          3.60    (#    261:10  Unique         2.38, 3.24 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 855, 856,
 &end
#
#   54 ILE  HA           55 GLY  HN          3.60    (#    262:10  Unique         2.20, 3.30 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 827, 844, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   55 GLY  HA+          55 GLY  HN          2.90    (#    263:10  Unique         2.30, 2.76 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 846, 847,
 &end
#
#   55 GLY  HA-          55 GLY  HN          2.90    (#    264:10  Preassigned    2.30, 2.76 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 846, 847,
 &end
#
#   54 ILE  QG2          55 GLY  HN          3.60    (#    265:10  Unique         2.05, 3.56 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 831, 832, 833,
 &end
#
#   55 GLY  HN           54 ILE  HN          4.60    (#    266:10  Unique         1.93, 2.58 A)
 &rst
  ixpk= 266, nxpk= 10, iat= 844, 825, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   57 HIS  HN           54 ILE  HN          3.60    (#    267:10  Unique         3.26, 3.93 A)
 &rst
  ixpk= 267, nxpk= 10, iat= 865, 825, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   59 CYS  HN           54 ILE  HN          5.60    (#    268:10  Unique         3.71, 4.45 A)
 &rst
  ixpk= 268, nxpk= 10, iat= 894, 825, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   53 SER  HA           54 ILE  HN          2.90    (#    269:10  Unique         2.17, 2.36 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 816, 825, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   54 ILE  HA           54 ILE  HN          3.60    (#    270:10  Unique         2.76, 2.90 A)
 &rst
  ixpk= 270, nxpk= 10, iat= 827, 825, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   53 SER  HB+          54 ILE  HN          3.60    (#    271:10  Unique         2.13, 3.12 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 818, 819,
 &end
#
#   53 SER  HB-          54 ILE  HN          3.60    (#    272:10  Unique         2.13, 3.12 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 818, 819,
 &end
#
#   57 HIS  HB+          54 ILE  HN          4.60    (#    273:10  Unique         2.87, 4.31 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 869, 870,
 &end
#
#   57 HIS  HB-          54 ILE  HN          5.60    (#    274:10  Unique         2.87, 4.31 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 869, 870,
 &end
#
#   54 ILE  HG1-         54 ILE  HN          3.60    (#    275:10  Unique         2.04, 3.85 A)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 835, 836,
 &end
#
#   59 CYS  HG           54 ILE  HN          3.60    (#    276:10  Unique         1.95, 3.60 A)
 &rst
  ixpk= 276, nxpk= 10, iat= 901, 825, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   54 ILE  HB           54 ILE  HN          2.90    (#    277:10  Unique         2.51, 2.68 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 829, 825, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   54 ILE  HG1+         54 ILE  HN          4.60    (#    278:10  Unique         2.04, 3.85 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 835, 836,
 &end
#
#   54 ILE  QD1          54 ILE  HN          4.60    (#    279:10  Preassigned    3.90, 5.11 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 838, 839, 840,
 &end
#
#   54 ILE  QG2          54 ILE  HN          4.60    (#    280:10  Unique         1.96, 3.69 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 831, 832, 833,
 &end
#
#   52 PHE  HN           53 SER  HN          5.60    (#    281:10  Unique         4.31, 4.35 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 794, 814, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   54 ILE  HN           53 SER  HN          5.60    (#    282:10  Unique         4.24, 4.36 A)
 &rst
  ixpk= 282, nxpk= 10, iat= 825, 814, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   53 SER  HA           53 SER  HN          3.60    (#    283:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 816, 814, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   52 PHE  HD           53 SER  HN          2.90    (#    284:10  Unique         2.31, 3.92 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 802, 810,
 &end
#
#   52 PHE  HA           53 SER  HN          3.60    (#    285:10  Unique         2.29, 2.55 A)
 &rst
  ixpk= 285, nxpk= 10, iat= 796, 814, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   53 SER  HB+          53 SER  HN          3.60    (#    286:10  Unique         2.84, 3.64 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 818, 819,
 &end
#
#   53 SER  HB-          53 SER  HN          4.60    (#    287:10  Unique         2.84, 3.64 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 818, 819,
 &end
#
#   52 PHE  HB+          53 SER  HN          3.60    (#    288:10  Unique         2.07, 3.03 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 798, 799,
 &end
#
#   52 PHE  HB-          53 SER  HN          3.60    (#    289:10  Unique         2.07, 3.03 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 798, 799,
 &end
#
#    0 AMB  10-2:290     53 SER  HN          5.60    (#    290:10  Single Ambig)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 591, 592, 591, 592, 898, 899,
 &end
#
#   37 LEU  MDX          53 SER  HN          4.60    (#    291:10  Unique         2.50, 5.24 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  MDY          53 SER  HN          5.60    (#    292:10  Unique         2.50, 5.24 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   51 HIS  HN           52 PHE  HN          5.60    (#    293:10  Unique         3.44, 4.23 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 777, 794, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   53 SER  HN           52 PHE  HN          4.60    (#    294:10  Unique         4.31, 4.35 A)
 &rst
  ixpk= 294, nxpk= 10, iat= 814, 794, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   59 CYS  HN           52 PHE  HN          4.60    (#    295:10  Preassigned    3.87, 4.54 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 894, 794, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:296     52 PHE  HN          4.60    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 790, 804, 808,
 &end
#
#   52 PHE  HD           52 PHE  HN          4.60    (#    297:10  Unique         2.30, 4.04 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 802, 810,
 &end
#
#    0 AMB  10-2:298     52 PHE  HN          5.60    (#    298:10  Single Ambig)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 816, 623,
 &end
#
#   51 HIS  HA           52 PHE  HN          2.90    (#    299:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 299, nxpk= 10, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   52 PHE  HB+          52 PHE  HN          3.60    (#    300:10  Preassigned    2.95, 3.66 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 798, 799,
 &end
#
#   52 PHE  HA           52 PHE  HN          2.90    (#    301:10  Unique         2.79, 2.84 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 796, 794, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:302     52 PHE  HN          3.60    (#    302:10  Single Ambig)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 909, 910, 898, 899,
 &end
#
#   40 ALA  HN           51 HIS  HN          3.60    (#    303:10  Preassigned    2.27, 2.71 A)
 &rst
  ixpk= 303, nxpk= 10, iat= 635, 777, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:304     51 HIS  HN          4.60    (#    304:10  Single Ambig)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 790, 804, 808,
 &end
#
#   51 HIS  HA           51 HIS  HN          4.60    (#    305:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 305, nxpk= 10, iat= 779, 777, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:307     51 HIS  HN          5.60    (#    307:10  Single Ambig)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 647, 648, 796,
 &end
#
#   51 HIS  HB+          51 HIS  HN          2.90    (#    308:10  Unique         2.18, 2.77 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 781, 782,
 &end
#
#   51 HIS  HB-          51 HIS  HN          2.90    (#    309:10  Unique         2.18, 2.77 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 781, 782,
 &end
#
#   40 ALA  MB           51 HIS  HN          5.60    (#    310:10  Unique         2.22, 4.28 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 639, 640, 641,
 &end
#
#   50 THR  MG2          51 HIS  HN          3.60    (#    311:10  Unique         1.95, 3.22 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 769, 770, 771,
 &end
#
#   49 GLU  HN           50 THR  HN          5.60    (#    312:10  Unique         4.05, 4.29 A)
 &rst
  ixpk= 312, nxpk= 10, iat= 748, 763, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   61 ILE  HN           50 THR  HN          3.60    (#    313:10  Unique         2.16, 2.69 A)
 &rst
  ixpk= 313, nxpk= 10, iat= 926, 763, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   49 GLU  HA           50 THR  HN          2.90    (#    314:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 314, nxpk= 10, iat= 750, 763, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   51 HIS  HA           50 THR  HN          5.60    (#    315:10  Unique         4.75, 5.08 A)
 &rst
  ixpk= 315, nxpk= 10, iat= 779, 763, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:316     50 THR  HN          5.60    (#    316:10  Single Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 907, 736,
 &end
#
#   58 ASP  HB-          59 CYS  HN          4.60    (#    318:10  Unique         2.54, 3.77 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 886, 887,
 &end
#
#   50 THR  HB           50 THR  HN          2.90    (#    319:10  Unique         2.49, 2.69 A)
 &rst
  ixpk= 319, nxpk= 10, iat= 767, 763, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   49 GLU  HB+          50 THR  HN          3.60    (#    320:10  Preassigned    2.71, 3.70 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 752, 753,
 &end
#
#   49 GLU  HB-          50 THR  HN          3.60    (#    321:10  Unique         2.71, 3.70 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 752, 753,
 &end
#
#   61 ILE  HB           50 THR  HN          5.60    (#    322:10  Unique         1.94, 2.42 A)
 &rst
  ixpk= 322, nxpk= 10, iat= 930, 763, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   50 THR  MG2          50 THR  HN          4.60    (#    323:10  Preassigned    4.40, 4.64 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 769, 770, 771,
 &end
#
#   61 ILE  QG2          50 THR  HN          5.60    (#    324:10  Unique         3.80, 4.72 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 932, 933, 934,
 &end
#
#   48 THR  HN           49 GLU  HN          4.60    (#    325:10  Preassigned    4.38, 4.45 A)
 &rst
  ixpk= 325, nxpk= 10, iat= 734, 748, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   49 GLU  HA           49 GLU  HN          3.60    (#    326:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 326, nxpk= 10, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   48 THR  HA           49 GLU  HN          2.90    (#    327:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 327, nxpk= 10, iat= 736, 748, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   48 THR  HB           49 GLU  HN          3.60    (#    330:10  Unique         3.51, 3.83 A)
 &rst
  ixpk= 330, nxpk= 10, iat= 738, 748, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   49 GLU  HG+          49 GLU  HN          3.60    (#    331:10  Unique         2.59, 3.48 A)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 755, 756,
 &end
#
#   49 GLU  HG-          49 GLU  HN          3.60    (#    332:10  Preassigned    2.59, 3.48 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 755, 756,
 &end
#
#   42 GLU  HB-          49 GLU  HN          4.60    (#    333:10  Unique         2.18, 3.70 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 656, 657,
 &end
#
#   44 VAL  MGX          49 GLU  HN          4.60    (#    334:10  Unique         2.63, 5.10 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   48 THR  MG2          49 GLU  HN          3.60    (#    335:10  Unique         2.87, 3.90 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 740, 741, 742,
 &end
#
#   49 GLU  HB-          49 GLU  HN          4.60    (#    336:10  Unique         2.51, 3.27 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 752, 753,
 &end
#
#   63 ALA  HN           48 THR  HN          3.60    (#    337:10  Unique         3.80, 3.95 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 967, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   47 GLY  HN           48 THR  HN          4.60    (#    338:10  Unique         4.06, 4.41 A)
 &rst
  ixpk= 338, nxpk= 10, iat= 727, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   62 LYS  HA           48 THR  HN          4.60    (#    339:10  Unique         5.09, 5.37 A)
 &rst
  ixpk= 339, nxpk= 10, iat= 947, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   48 THR  HA           48 THR  HN          2.90    (#    340:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 340, nxpk= 10, iat= 736, 734, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   47 GLY  HA+          48 THR  HN          2.90    (#    341:10  Unique         2.15, 2.59 A)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 729, 730,
 &end
#
#   48 THR  HB           48 THR  HN          3.60    (#    342:10  Unique         2.85, 3.05 A)
 &rst
  ixpk= 342, nxpk= 10, iat= 738, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   63 ALA  MB           48 THR  HN          3.60    (#    343:10  Unique         1.95, 2.92 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 971, 972, 973,
 &end
#
#   48 THR  MG2          48 THR  HN          4.60    (#    344:10  Unique         3.70, 4.44 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 740, 741, 742,
 &end
#
#   44 VAL  MGX          48 THR  HN          5.60    (#    345:10  Unique         4.34, 6.87 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   48 THR  HN           47 GLY  HN          4.60    (#    346:10  Unique         4.06, 4.41 A)
 &rst
  ixpk= 346, nxpk= 10, iat= 734, 727, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   46 ASP  HN           47 GLY  HN          2.90    (#    347:10  Unique         2.47, 2.65 A)
 &rst
  ixpk= 347, nxpk= 10, iat= 715, 727, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   44 VAL  HN           47 GLY  HN          4.60    (#    348:10  Unique         3.09, 3.63 A)
 &rst
  ixpk= 348, nxpk= 10, iat= 687, 727, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:349     47 GLY  HN          2.90    (#    349:10  Single Ambig)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 729, 730, 717,
 &end
#
#   45 ASP  HA           47 GLY  HN          5.60    (#    350:10  Unique         3.51, 4.12 A)
 &rst
  ixpk= 350, nxpk= 10, iat= 705, 727, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   47 GLY  HA-          47 GLY  HN          2.90    (#    351:10  Unique         2.34, 2.74 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 729, 730,
 &end
#
#   46 ASP  HB+          47 GLY  HN          5.60    (#    352:10  Unique         1.97, 3.57 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 719, 720,
 &end
#
#   46 ASP  HB-          47 GLY  HN          4.60    (#    353:10  Unique         1.97, 3.57 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 719, 720,
 &end
#
#   64 VAL  MGX          47 GLY  HN          5.60    (#    354:10  Preassigned    8.57,11.46 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   44 VAL  MGX          47 GLY  HN          2.90    (#    355:10  Unique         1.95, 4.51 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   45 ASP  HN           46 ASP  HN          3.60    (#    356:10  Unique         2.37, 2.63 A)
 &rst
  ixpk= 356, nxpk= 10, iat= 703, 715, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   47 GLY  HN           46 ASP  HN          2.90    (#    357:10  Unique         2.47, 2.65 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 727, 715, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   45 ASP  HA           46 ASP  HN          2.90    (#    358:10  Unique         3.43, 3.47 A)
 &rst
  ixpk= 358, nxpk= 10, iat= 705, 715, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   46 ASP  HA           46 ASP  HN          2.90    (#    359:10  Unique         2.82, 2.88 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   44 VAL  HA           46 ASP  HN          4.60    (#    360:10  Unique         4.10, 4.25 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 689, 715, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   46 ASP  HB+          46 ASP  HN          2.90    (#    362:10  Unique         2.27, 2.81 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 719, 720,
 &end
#
#    0 AMB  10-2:363     46 ASP  HN          2.90    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 719, 720, 707, 708, 707, 708,
 &end
#
#   44 VAL  HB           46 ASP  HN          5.60    (#    364:10  Unique         2.53, 2.72 A)
 &rst
  ixpk= 364, nxpk= 10, iat= 691, 715, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   44 VAL  MGX          46 ASP  HN          2.90    (#    365:10  Unique         1.94, 4.07 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  MGY          46 ASP  HN          3.60    (#    366:10  Unique         1.94, 4.07 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   46 ASP  HN           45 ASP  HN          3.60    (#    367:10  Unique         2.37, 2.63 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 715, 703, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   45 ASP  HA           45 ASP  HN          2.90    (#    368:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 705, 703, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   44 VAL  HA           45 ASP  HN          2.90    (#    369:10  Unique         2.38, 2.54 A)
 &rst
  ixpk= 369, nxpk= 10, iat= 689, 703, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   44 VAL  HN           45 ASP  HN          4.60    (#    370:10  Unique         4.36, 4.46 A)
 &rst
  ixpk= 370, nxpk= 10, iat= 687, 703, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:371     45 ASP  HN          2.90    (#    371:10  Single Ambig)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 707, 708, 707, 708,
 &end
#
#   44 VAL  HB           45 ASP  HN          2.90    (#    372:10  Unique         1.95, 2.10 A)
 &rst
  ixpk= 372, nxpk= 10, iat= 691, 703, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   44 VAL  MGY          45 ASP  HN          3.60    (#    373:10  Unique         3.06, 4.19 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  MGX          45 ASP  HN          2.90    (#    374:10  Unique         3.06, 4.19 A)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#    0 AMB  10-2:375     44 VAL  HN          4.60    (#    375:10  Single Ambig)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 667, 748,
 &end
#
#   45 ASP  HN           44 VAL  HN          5.60    (#    376:10  Unique         4.36, 4.46 A)
 &rst
  ixpk= 376, nxpk= 10, iat= 703, 687, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   47 GLY  HN           44 VAL  HN          4.60    (#    377:10  Unique         3.09, 3.63 A)
 &rst
  ixpk= 377, nxpk= 10, iat= 727, 687, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   43 PHE  HD           44 VAL  HN          5.60    (#    378:10  Unique         3.32, 5.07 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 675, 683,
 &end
#
#   48 THR  HA           44 VAL  HN          3.60    (#    379:10  Unique         3.09, 3.46 A)
 &rst
  ixpk= 379, nxpk= 10, iat= 736, 687, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   47 GLY  HA+          44 VAL  HN          5.60    (#    381:10  Unique         4.11, 4.85 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 729, 730,
 &end
#
#   44 VAL  HA           44 VAL  HN          2.90    (#    382:10  Unique         2.81, 2.91 A)
 &rst
  ixpk= 382, nxpk= 10, iat= 689, 687, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   43 PHE  HB+          44 VAL  HN          4.60    (#    383:10  Unique         3.03, 4.15 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 671, 672,
 &end
#
#   43 PHE  HB-          44 VAL  HN          4.60    (#    384:10  Unique         3.03, 4.15 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 671, 672,
 &end
#
#   44 VAL  HB           44 VAL  HN          3.60    (#    385:10  Unique         3.60, 3.77 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 691, 687, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   48 THR  MG2          44 VAL  HN          4.60    (#    386:10  Unique         4.50, 5.82 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 740, 741, 742,
 &end
#
#   44 VAL  MGY          44 VAL  HN          2.90    (#    387:10  Unique         1.95, 3.37 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  MGX          44 VAL  HN          2.90    (#    388:10  Unique         1.95, 3.37 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 693, 694, 695, 697, 698, 699,
 &end
#
#   44 VAL  HN           43 PHE  HN          5.60    (#    389:10  Unique         2.72, 3.68 A)
 &rst
  ixpk= 389, nxpk= 10, iat= 687, 667, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   43 PHE  HD           43 PHE  HN          4.60    (#    390:10  Unique         2.35, 4.38 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 675, 683,
 &end
#
#   42 GLU  HA           43 PHE  HN          2.90    (#    392:10  Unique         2.14, 2.32 A)
 &rst
  ixpk= 392, nxpk= 10, iat= 654, 667, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   43 PHE  HB+          43 PHE  HN          2.90    (#    393:10  Unique         2.54, 3.37 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 671, 672,
 &end
#
#   43 PHE  HB-          43 PHE  HN          2.90    (#    394:10  Unique         2.54, 3.37 A)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 671, 672,
 &end
#
#    0 AMB  10-2:395     43 PHE  HN          2.90    (#    395:10  Single Ambig)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 659, 660, 659, 660,
 &end
#
#   42 GLU  HB-          43 PHE  HN          3.60    (#    396:10  Unique         1.94, 3.43 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 656, 657,
 &end
#
#   42 GLU  HB+          43 PHE  HN          3.60    (#    397:10  Unique         1.94, 3.43 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 656, 657,
 &end
#
#    0 AMB  10-2:398     42 GLU  HN          3.60    (#    398:10  Single Ambig)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 748, 667,
 &end
#
#   41 GLY  HA-          42 GLU  HN          2.90    (#    400:10  Unique         2.18, 2.84 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 647, 648,
 &end
#
#   29 ASP  HA           30 VAL  HN          2.90    (#    401:10  Unique         2.14, 2.14 A)
 &rst
  ixpk= 401, nxpk= 10, iat= 461, 471, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   42 GLU  HA           42 GLU  HN          2.90    (#    402:10  Unique         2.77, 2.91 A)
 &rst
  ixpk= 402, nxpk= 10, iat= 654, 652, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   41 GLY  HA+          42 GLU  HN          2.90    (#    403:10  Unique         2.18, 2.84 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 647, 648,
 &end
#
#   40 ALA  MB           42 GLU  HN          4.60    (#    404:10  Unique         2.62, 5.56 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 639, 640, 641,
 &end
#
#    0 AMB  10-2:405     42 GLU  HN          3.60    (#    405:10  Single Ambig)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 659, 660, 659, 660,
 &end
#
#   42 GLU  HB+          42 GLU  HN          2.90    (#    406:10  Unique         2.21, 3.16 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 656, 657,
 &end
#
#   42 GLU  HB-          42 GLU  HN          2.90    (#    407:10  Unique         2.21, 3.16 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 656, 657,
 &end
#
#    0 AMB  10-2:408     30 VAL  HN          3.60    (#    408:10  Single Ambig)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 475, 569, 570, 371,
 &end
#
#   39 THR  MG2          30 VAL  HN          4.60    (#    409:10  Unique         2.08, 3.74 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 627, 628, 629,
 &end
#
#   30 VAL  MGY          30 VAL  HN          3.60    (#    410:10  Unique         1.95, 3.67 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#   41 GLY  HA-          41 GLY  HN          2.90    (#    411:10  Unique         2.30, 2.62 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 647, 648,
 &end
#
#   40 ALA  HA           41 GLY  HN          2.90    (#    412:10  Unique         2.15, 2.84 A)
 &rst
  ixpk= 412, nxpk= 10, iat= 637, 645, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   41 GLY  HA+          41 GLY  HN          2.90    (#    413:10  Unique         2.30, 2.62 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 647, 648,
 &end
#
#   40 ALA  MB           41 GLY  HN          2.90    (#    414:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 639, 640, 641,
 &end
#
#   51 HIS  HN           40 ALA  HN          3.60    (#    415:10  Unique         2.27, 2.71 A)
 &rst
  ixpk= 415, nxpk= 10, iat= 777, 635, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   39 THR  HA           40 ALA  HN          2.90    (#    416:10  Unique         2.19, 2.35 A)
 &rst
  ixpk= 416, nxpk= 10, iat= 623, 635, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   39 THR  HB           40 ALA  HN          2.90    (#    418:10  Unique         1.94, 2.59 A)
 &rst
  ixpk= 418, nxpk= 10, iat= 625, 635, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   51 HIS  HB+          40 ALA  HN          3.60    (#    419:10  Unique         2.06, 3.57 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 781, 782,
 &end
#
#   40 ALA  MB           40 ALA  HN          2.90    (#    420:10  Unique         2.21, 3.07 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 639, 640, 641,
 &end
#
#   50 THR  MG2          40 ALA  HN          3.60    (#    421:10  Unique         2.58, 4.25 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 769, 770, 771,
 &end
#
#   39 THR  MG2          40 ALA  HN          3.60    (#    422:10  Unique         3.34, 4.50 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 627, 628, 629,
 &end
#
#   40 ALA  HN           39 THR  HN          4.60    (#    423:10  Unique         4.29, 4.38 A)
 &rst
  ixpk= 423, nxpk= 10, iat= 635, 621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   38 GLU  HN           39 THR  HN          4.60    (#    424:10  Unique         4.48, 4.58 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   39 THR  HA           39 THR  HN          3.60    (#    425:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 623, 621, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   38 GLU  HA           39 THR  HN          2.90    (#    427:10  Unique         2.15, 2.32 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 608, 621, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   39 THR  HB           39 THR  HN          4.60    (#    428:10  Unique         3.73, 3.86 A)
 &rst
  ixpk= 428, nxpk= 10, iat= 625, 621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   38 GLU  HG+          39 THR  HN          4.60    (#    429:10  Unique         3.00, 4.57 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 613, 614,
 &end
#
#   38 GLU  HB-          39 THR  HN          2.90    (#    430:10  Unique         2.24, 3.28 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 610, 611,
 &end
#
#   38 GLU  HB+          39 THR  HN          2.90    (#    431:10  Unique         2.24, 3.28 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 610, 611,
 &end
#
#    0 AMB  10-2:432     39 THR  HN          5.60    (#    432:10  Single Ambig)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 769, 770, 771, 569, 570, 475,
 &end
#
#   39 THR  MG2          39 THR  HN          3.60    (#    433:10  Unique         2.96, 4.02 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 627, 628, 629,
 &end
#
#   39 THR  HN           38 GLU  HN          4.60    (#    434:10  Unique         4.48, 4.58 A)
 &rst
  ixpk= 434, nxpk= 10, iat= 621, 606, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:435     38 GLU  HN          2.90    (#    435:10  Single Ambig)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 589, 608,
 &end
#
#   38 GLU  HG+          38 GLU  HN          3.60    (#    436:10  Unique         1.95, 2.84 A)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 613, 614,
 &end
#
#   38 GLU  HG-          38 GLU  HN          2.90    (#    437:10  Unique         1.95, 2.84 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 613, 614,
 &end
#
#   38 GLU  HB+          38 GLU  HN          2.90    (#    438:10  Unique         2.39, 3.07 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 610, 611,
 &end
#
#   38 GLU  HB-          38 GLU  HN          2.90    (#    439:10  Unique         2.39, 3.07 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 610, 611,
 &end
#
#    0 AMB  10-2:440     38 GLU  HN          2.90    (#    440:10  Single Ambig)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 591, 592, 591, 592,
 &end
#
#   37 LEU  HG           38 GLU  HN          4.60    (#    441:10  Unique         4.43, 4.92 A)
 &rst
  ixpk= 441, nxpk= 10, iat= 594, 606, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   37 LEU  MDX          38 GLU  HN          3.60    (#    442:10  Unique         2.44, 5.03 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   37 LEU  MDY          38 GLU  HN          3.60    (#    443:10  Unique         2.44, 5.03 A)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   32 CYS  HN           37 LEU  HN          5.60    (#    444:10  Unique         3.51, 4.13 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 511, 587, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   37 LEU  HA           37 LEU  HN          2.90    (#    445:10  Unique         2.82, 2.91 A)
 &rst
  ixpk= 445, nxpk= 10, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   37 LEU  HG           37 LEU  HN          2.90    (#    446:10  Unique         2.01, 2.65 A)
 &rst
  ixpk= 446, nxpk= 10, iat= 594, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:447     37 LEU  HN          2.90    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 591, 592, 591, 592, 575, 576,
 &end
#
#   37 LEU  MDX          37 LEU  HN          2.90    (#    449:10  Unique         2.43, 4.50 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#    0 AMB  10-2:450      0 AMB  10-1:450    3.60    (#    450:10  Double Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 572, 573,1210,1211,1188,
 igr2= 587,1200,
 &end
#
#   35 LYS  HN           36 LYS  HN          5.60    (#    451:10  Unique         4.23, 4.57 A)
 &rst
  ixpk= 451, nxpk= 10, iat= 543, 565, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:452     36 LYS  HN          4.60    (#    452:10  Single Ambig)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 506, 504,
 &end
#
#   36 LYS  HA           36 LYS  HN          3.60    (#    454:10  Unique         2.84, 2.93 A)
 &rst
  ixpk= 454, nxpk= 10, iat= 567, 565, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:455     36 LYS  HN          4.60    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 547, 548, 547, 548,
 &end
#
#    0 AMB  10-2:456     36 LYS  HN          5.60    (#    456:10  Single Ambig)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 553, 554, 553, 554,
 &end
#
#   35 LYS  HG-          36 LYS  HN          5.60    (#    457:10  Unique         2.91, 4.34 A)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 550, 551,
 &end
#
#   36 LYS  HD+          36 LYS  HN          3.60    (#    458:10  Unique         1.94, 3.82 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 575, 576,
 &end
#
#   36 LYS  HD-          36 LYS  HN          2.90    (#    459:10  Unique         1.94, 3.82 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 575, 576,
 &end
#
#   36 LYS  HB+          36 LYS  HN          2.90    (#    460:10  Unique         2.35, 2.98 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 569, 570,
 &end
#
#   36 LYS  HG+          36 LYS  HN          4.60    (#    461:10  Unique         1.87, 4.07 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 572, 573,
 &end
#
#   36 LYS  HB-          36 LYS  HN          2.90    (#    462:10  Unique         2.35, 2.98 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 569, 570,
 &end
#
#   36 LYS  HG-          36 LYS  HN          4.60    (#    463:10  Unique         1.87, 4.07 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 572, 573,
 &end
#
#   32 CYS  HN           35 LYS  HN          3.60    (#    464:10  Unique         2.38, 3.95 A)
 &rst
  ixpk= 464, nxpk= 10, iat= 511, 543, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   34 GLY  HN           35 LYS  HN          3.60    (#    465:10  Unique         2.39, 3.29 A)
 &rst
  ixpk= 465, nxpk= 10, iat= 536, 543, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   36 LYS  HN           35 LYS  HN          5.60    (#    466:10  Unique         4.23, 4.57 A)
 &rst
  ixpk= 466, nxpk= 10, iat= 565, 543, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   31 TRP  HE3          35 LYS  HN          5.60    (#    467:10  Unique         3.85, 5.50 A)
 &rst
  ixpk= 467, nxpk= 10, iat= 506, 543, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   34 GLY  HA+          35 LYS  HN          3.60    (#    469:10  Unique         2.26, 3.09 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 538, 539,
 &end
#
#   34 GLY  HA-          35 LYS  HN          4.60    (#    470:10  Unique         2.26, 3.09 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 538, 539,
 &end
#
#   35 LYS  HB-          35 LYS  HN          2.90    (#    471:10  Unique         2.37, 3.06 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 547, 548,
 &end
#
#    0 AMB  10-2:472     35 LYS  HN          3.60    (#    472:10  Single Ambig)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 553, 554, 553, 554,
 &end
#
#   35 LYS  HB+          35 LYS  HN          2.90    (#    473:10  Unique         2.37, 3.06 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 547, 548,
 &end
#
#   35 LYS  HG+          35 LYS  HN          3.60    (#    474:10  Unique         2.03, 3.04 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 550, 551,
 &end
#
#   35 LYS  HG-          35 LYS  HN          3.60    (#    475:10  Unique         2.03, 3.04 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 550, 551,
 &end
#
#   33 ASN  HN           34 GLY  HN          3.60    (#    476:10  Unique         2.61, 2.70 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 522, 536, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   35 LYS  HN           34 GLY  HN          3.60    (#    477:10  Unique         2.39, 3.29 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 543, 536, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   34 GLY  HA+          34 GLY  HN          2.90    (#    478:10  Unique         2.30, 2.67 A)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 538, 539,
 &end
#
#   34 GLY  HA-          34 GLY  HN          2.90    (#    479:10  Unique         2.30, 2.67 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 538, 539,
 &end
#
#   34 GLY  HN           33 ASN  HN          4.60    (#    480:10  Unique         2.61, 2.70 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 536, 522, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   20 ARG  HN           33 ASN  HN          4.60    (#    481:10  Unique         2.52, 3.43 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 305, 522, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   32 CYS  HA           33 ASN  HN          2.90    (#    482:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   33 ASN  HA           33 ASN  HN          2.90    (#    483:10  Unique         2.27, 2.28 A)
 &rst
  ixpk= 483, nxpk= 10, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   33 ASN  HB-          33 ASN  HN          5.60    (#    484:10  Preassigned    2.96, 3.46 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 526, 527,
 &end
#
#   33 ASN  HB+          33 ASN  HN          4.60    (#    485:10  Unique         2.96, 3.46 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 526, 527,
 &end
#
#   33 ASN  HN           32 CYS  HN          4.60    (#    486:10  Unique         3.65, 4.08 A)
 &rst
  ixpk= 486, nxpk= 10, iat= 522, 511, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   37 LEU  HN           32 CYS  HN          5.60    (#    487:10  Unique         3.51, 4.13 A)
 &rst
  ixpk= 487, nxpk= 10, iat= 587, 511, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   35 LYS  HN           32 CYS  HN          3.60    (#    488:10  Unique         2.38, 3.95 A)
 &rst
  ixpk= 488, nxpk= 10, iat= 543, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:489     32 CYS  HN          5.60    (#    489:10  Single Ambig)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 506, 504,
 &end
#
#   32 CYS  HA           32 CYS  HN          3.60    (#    490:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 490, nxpk= 10, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   31 TRP  HA           32 CYS  HN          2.90    (#    491:10  Unique         2.15, 2.25 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 489, 511, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   36 LYS  HA           32 CYS  HN          3.60    (#    492:10  Unique         2.61, 3.10 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 567, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   31 TRP  HB+          32 CYS  HN          3.60    (#    493:10  Unique         2.64, 3.51 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 491, 492,
 &end
#
#    0 AMB  10-2:494     32 CYS  HN          2.90    (#    494:10  Single Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 515, 516, 491, 492,
 &end
#
#   32 CYS  HB-          32 CYS  HN          3.60    (#    495:10  Unique         2.63, 3.22 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 515, 516,
 &end
#
#    0 AMB  10-2:496     32 CYS  HN          4.60    (#    496:10  Single Ambig)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 547, 548, 547, 548,
 &end
#
#   37 LEU  HG           32 CYS  HN          3.60    (#    497:10  Unique         3.19, 3.68 A)
 &rst
  ixpk= 497, nxpk= 10, iat= 594, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   37 LEU  MDX          32 CYS  HN          3.60    (#    498:10  Unique         2.15, 5.43 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   31 TRP  HD1          31 TRP  HN          4.60    (#    500:10  Unique         2.55, 3.02 A)
 &rst
  ixpk= 500, nxpk= 10, iat= 495, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   31 TRP  HA           31 TRP  HN          3.60    (#    501:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 501, nxpk= 10, iat= 489, 487, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   30 VAL  HA           31 TRP  HN          2.90    (#    502:10  Unique         2.14, 2.14 A)
 &rst
  ixpk= 502, nxpk= 10, iat= 473, 487, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   31 TRP  HB+          31 TRP  HN          2.90    (#    503:10  Unique         2.21, 3.00 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 491, 492,
 &end
#
#   31 TRP  HB-          31 TRP  HN          3.60    (#    504:10  Unique         2.21, 3.00 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 491, 492,
 &end
#
#    0 AMB  10-2:505     31 TRP  HN          3.60    (#    505:10  Single Ambig)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 335, 336, 337, 373, 374, 375, 377, 378, 379, 354,
       355, 356, 358, 359, 360, 596, 597, 598, 600, 601,
       602,
 &end
#
#   30 VAL  MGY          31 TRP  HN          3.60    (#    506:10  Unique         2.44, 4.31 A)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#   30 VAL  MGX          31 TRP  HN          2.90    (#    507:10  Unique         2.44, 4.31 A)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#   24 GLU  HN           29 ASP  HN          3.60    (#    508:10  Unique         2.44, 2.78 A)
 &rst
  ixpk= 508, nxpk= 10, iat= 383, 459, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   30 VAL  HN           29 ASP  HN          5.60    (#    509:10  Unique         3.90, 4.06 A)
 &rst
  ixpk= 509, nxpk= 10, iat= 471, 459, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   28 MET  HN           29 ASP  HN          2.90    (#    510:10  Unique         2.77, 2.87 A)
 &rst
  ixpk= 510, nxpk= 10, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   25 LYS  HA           29 ASP  HN          5.60    (#    511:10  Unique         4.05, 4.98 A)
 &rst
  ixpk= 511, nxpk= 10, iat= 400, 459, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   29 ASP  HA           29 ASP  HN          2.90    (#    512:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 512, nxpk= 10, iat= 461, 459, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   28 MET  HA           29 ASP  HN          2.90    (#    513:10  Unique         2.49, 2.63 A)
 &rst
  ixpk= 513, nxpk= 10, iat= 444, 459, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   27 ALA  HA           29 ASP  HN          5.60    (#    514:10  Unique         4.78, 5.13 A)
 &rst
  ixpk= 514, nxpk= 10, iat= 434, 459, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   29 ASP  HB+          29 ASP  HN          2.90    (#    515:10  Unique         2.77, 3.41 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 463, 464,
 &end
#
#    0 AMB  10-2:516     29 ASP  HN          3.60    (#    516:10  Single Ambig)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 387, 388, 390, 391,
 &end
#
#    0 AMB  10-2:517     29 ASP  HN          2.90    (#    517:10  Single Ambig)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 387, 388, 463, 464, 390, 391,
 &end
#
#   27 ALA  MB           29 ASP  HN          3.60    (#    518:10  Unique         2.97, 4.21 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 436, 437, 438,
 &end
#
#   23 LEU  MDX          29 ASP  HN          3.60    (#    519:10  Unique         3.09, 5.03 A)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  10-2:520     29 ASP  HN          5.60    (#    520:10  Single Ambig)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 371, 475, 405, 406, 769, 770, 771, 569, 570,
 &end
#
#   26 ASP  HN           28 MET  HN          5.60    (#    521:10  Unique         3.83, 3.93 A)
 &rst
  ixpk= 521, nxpk= 10, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   29 ASP  HN           28 MET  HN          2.90    (#    522:10  Unique         2.77, 2.87 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 459, 442, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   28 MET  HA           28 MET  HN          2.90    (#    523:10  Unique         2.27, 2.27 A)
 &rst
  ixpk= 523, nxpk= 10, iat= 444, 442, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   27 ALA  HA           28 MET  HN          3.60    (#    524:10  Unique         3.21, 3.45 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 434, 442, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   25 LYS  HA           28 MET  HN          4.60    (#    525:10  Unique         2.88, 3.31 A)
 &rst
  ixpk= 525, nxpk= 10, iat= 400, 442, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   28 MET  HG+          28 MET  HN          3.60    (#    526:10  Unique         2.77, 3.56 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 449, 450,
 &end
#
#   28 MET  HG-          28 MET  HN          3.60    (#    527:10  Unique         2.77, 3.56 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 449, 450,
 &end
#
#    0 AMB  10-2:528     28 MET  HN          3.60    (#    528:10  Single Ambig)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 387, 388, 446, 447,
 &end
#
#   28 MET  HB+          28 MET  HN          3.60    (#    529:10  Unique         3.30, 3.73 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 446, 447,
 &end
#
#   27 ALA  MB           28 MET  HN          3.60    (#    530:10  Unique         2.95, 3.72 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 436, 437, 438,
 &end
#
#   23 LEU  MDX          28 MET  HN          4.60    (#    531:10  Unique         4.51, 6.10 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   26 ASP  HN           27 ALA  HN          2.90    (#    532:10  Unique         2.46, 2.56 A)
 &rst
  ixpk= 532, nxpk= 10, iat= 420, 432, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   29 ASP  HN           27 ALA  HN          5.60    (#    534:10  Unique         3.46, 4.27 A)
 &rst
  ixpk= 534, nxpk= 10, iat= 459, 432, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   27 ALA  HA           27 ALA  HN          2.90    (#    535:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 535, nxpk= 10, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   28 MET  HA           27 ALA  HN          5.60    (#    536:10  Unique         3.97, 4.24 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 444, 432, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   24 GLU  HB+          27 ALA  HN          4.60    (#    537:10  Unique         2.31, 3.06 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 387, 388,
 &end
#
#   26 ASP  HB+          27 ALA  HN          2.90    (#    538:10  Unique         3.02, 3.64 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 424, 425,
 &end
#
#   27 ALA  MB           27 ALA  HN          2.90    (#    539:10  Unique         2.32, 3.09 A)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 436, 437, 438,
 &end
#
#   25 LYS  HN           26 ASP  HN          4.60    (#    540:10  Unique         2.26, 2.43 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 398, 420, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   27 ALA  HN           26 ASP  HN          2.90    (#    541:10  Unique         2.46, 2.56 A)
 &rst
  ixpk= 541, nxpk= 10, iat= 432, 420, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   26 ASP  HA           26 ASP  HN          2.90    (#    543:10  Preassigned    2.80, 2.84 A)
 &rst
  ixpk= 543, nxpk= 10, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   25 LYS  HA           26 ASP  HN          3.60    (#    544:10  Unique         3.47, 3.56 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 400, 420, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   26 ASP  HB-          26 ASP  HN          2.90    (#    545:10  Unique         2.24, 2.55 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 424, 425,
 &end
#
#    0 AMB  10-2:546     26 ASP  HN          2.90    (#    546:10  Single Ambig)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 424, 425, 411, 412,
 &end
#
#    0 AMB  10-2:547     26 ASP  HN          5.60    (#    547:10  Single Ambig)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 387, 388, 390, 391,
 &end
#
#    0 AMB  10-2:548     26 ASP  HN          4.60    (#    548:10  Single Ambig)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 387, 388, 390, 391,
 &end
#
#    0 AMB  10-2:549     26 ASP  HN          3.60    (#    549:10  Single Ambig)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 402, 403, 402, 403,
 &end
#
#    0 AMB  10-2:550     26 ASP  HN          4.60    (#    550:10  Single Ambig)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 408, 409, 408, 409,
 &end
#
#   27 ALA  MB           26 ASP  HN          4.60    (#    551:10  Unique         4.26, 5.31 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 436, 437, 438,
 &end
#
#    0 AMB  10-2:552     26 ASP  HN          4.60    (#    552:10  Single Ambig)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 405, 406, 371,
 &end
#
#   26 ASP  HN           25 LYS  HN          4.60    (#    553:10  Unique         2.26, 2.43 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 420, 398, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   53 SER  HA           59 CYS  HN          2.90    (#    554:10  Unique         2.07, 2.93 A)
 &rst
  ixpk= 554, nxpk= 10, iat= 816, 894, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   25 LYS  HA           25 LYS  HN          3.60    (#    555:10  Preassigned    2.89, 2.92 A)
 &rst
  ixpk= 555, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:556     25 LYS  HN          5.60    (#    556:10  Single Ambig)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 387, 388, 390, 391,
 &end
#
#    0 AMB  10-2:557     25 LYS  HN          4.60    (#    557:10  Single Ambig)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 387, 388, 390, 391,
 &end
#
#    0 AMB  10-2:558     25 LYS  HN          3.60    (#    558:10  Single Ambig)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 402, 403, 402, 403,
 &end
#
#   25 LYS  HG-          25 LYS  HN          3.60    (#    561:10  Unique         2.34, 3.43 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 405, 406,
 &end
#
#    7 THR  MG2          25 LYS  HN          4.60    (#    562:10  Unique         3.13, 4.86 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 108, 109, 110,
 &end
#
#   29 ASP  HN           24 GLU  HN          4.60    (#    563:10  Unique         2.44, 2.78 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 459, 383, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   31 TRP  HD1          24 GLU  HN          5.60    (#    564:10  Unique         3.81, 5.15 A)
 &rst
  ixpk= 564, nxpk= 10, iat= 495, 383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   23 LEU  HA           24 GLU  HN          2.90    (#    565:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 565, nxpk= 10, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:567     24 GLU  HN          2.90    (#    567:10  Single Ambig)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 387, 388, 390, 391,
 &end
#
#   29 ASP  HB+          24 GLU  HN          4.60    (#    568:10  Unique         3.93, 4.85 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 463, 464,
 &end
#
#   27 ALA  MB           24 GLU  HN          5.60    (#    569:10  Unique         4.58, 5.76 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 436, 437, 438,
 &end
#
#    0 AMB  10-2:570     24 GLU  HN          2.90    (#    570:10  Single Ambig)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 387, 388, 390, 391,
 &end
#
#   23 LEU  HG           24 GLU  HN          3.60    (#    571:10  Unique         2.47, 4.29 A)
 &rst
  ixpk= 571, nxpk= 10, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   23 LEU  MDX          24 GLU  HN          2.90    (#    572:10  Unique         2.02, 3.76 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 LEU  MDY          24 GLU  HN          4.60    (#    573:10  Unique         2.02, 3.76 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#    8 ASN  HN           23 LEU  HN          4.60    (#    574:10  Unique         2.62, 3.40 A)
 &rst
  ixpk= 574, nxpk= 10, iat= 116, 364, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   10 TRP  HZ3          23 LEU  HN          4.60    (#    575:10  Unique         3.56, 9.07 A)
 &rst
  ixpk= 575, nxpk= 10, iat= 161, 364, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:576     23 LEU  HN          2.90    (#    576:10  Single Ambig)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 366, 132, 104,
 &end
#
#   22 VAL  HA           23 LEU  HN          2.90    (#    577:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 577, nxpk= 10, iat= 350, 364, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   23 LEU  HB+          23 LEU  HN          2.90    (#    578:10  Unique         2.25, 2.66 A)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 368, 369,
 &end
#
#   23 LEU  HB-          23 LEU  HN          3.60    (#    579:10  Unique         2.25, 2.66 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 368, 369,
 &end
#
#   22 VAL  MGX          23 LEU  HN          2.90    (#    580:10  Unique         2.05, 4.53 A)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   23 LEU  MDY          23 LEU  HN          4.60    (#    581:10  Unique         4.15, 5.15 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   32 CYS  HA           22 VAL  HN          4.60    (#    582:10  Unique         3.28, 3.95 A)
 &rst
  ixpk= 582, nxpk= 10, iat= 513, 348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   22 VAL  HA           22 VAL  HN          2.90    (#    583:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 583, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   21 ILE  HA           22 VAL  HN          2.90    (#    584:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 584, nxpk= 10, iat= 331, 348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   31 TRP  HB-          22 VAL  HN          4.60    (#    585:10  Unique         2.34, 3.33 A)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 491, 492,
 &end
#
#   22 VAL  HB           22 VAL  HN          2.90    (#    586:10  Unique         2.64, 2.74 A)
 &rst
  ixpk= 586, nxpk= 10, iat= 352, 348, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   22 VAL  MGY          22 VAL  HN          2.90    (#    587:10  Unique         2.68, 4.17 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  10-2:588     22 VAL  HN          2.90    (#    588:10  Single Ambig)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 335, 336, 337, 354, 355, 356, 358, 359, 360,
 &end
#
#   21 ILE  HA           21 ILE  HN          3.60    (#    589:10  Unique         2.94, 2.94 A)
 &rst
  ixpk= 589, nxpk= 10, iat= 331, 329, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   20 ARG  HA           21 ILE  HN          2.90    (#    590:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 590, nxpk= 10, iat= 307, 329, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:591     21 ILE  HN          3.60    (#    591:10  Single Ambig)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 148, 149, 148, 149, 289, 290,
 &end
#
#   21 ILE  HB           21 ILE  HN          2.90    (#    592:10  Unique         2.45, 2.64 A)
 &rst
  ixpk= 592, nxpk= 10, iat= 333, 329, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   21 ILE  HG1-         21 ILE  HN          3.60    (#    593:10  Unique         2.49, 3.75 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 339, 340,
 &end
#
#   21 ILE  HG1+         21 ILE  HN          3.60    (#    594:10  Unique         2.49, 3.75 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 339, 340,
 &end
#
#   77 LEU  MDY          21 ILE  HN          5.60    (#    595:10  Unique         6.36, 8.37 A)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  10-2:596     21 ILE  HN          4.60    (#    596:10  Single Ambig)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1= 354, 355, 356, 358, 359, 360, 335, 336, 337,1361,
      1362,1363, 174, 175, 176, 178, 179, 180,
 &end
#
#   33 ASN  HN           20 ARG  HN          3.60    (#    597:10  Unique         2.52, 3.43 A)
 &rst
  ixpk= 597, nxpk= 10, iat= 522, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   33 ASN  HD2-         20 ARG  HN          3.60    (#    598:10  Unique         1.91, 3.37 A)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 531, 532,
 &end
#
#   20 ARG  HA           20 ARG  HN          3.60    (#    599:10  Unique         2.85, 2.90 A)
 &rst
  ixpk= 599, nxpk= 10, iat= 307, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   19 PHE  HA           20 ARG  HN          2.90    (#    600:10  Unique         2.14, 2.21 A)
 &rst
  ixpk= 600, nxpk= 10, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:601     20 ARG  HN          4.60    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 526, 527, 315, 316, 315, 316,
 &end
#
#   19 PHE  HB+          20 ARG  HN          3.60    (#    602:10  Unique         2.60, 3.57 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 289, 290,
 &end
#
#   19 PHE  HB-          20 ARG  HN          3.60    (#    603:10  Unique         2.60, 3.57 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 289, 290,
 &end
#
#   20 ARG  HB+          20 ARG  HN          2.90    (#    604:10  Unique         2.19, 2.66 A)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 309, 310,
 &end
#
#   20 ARG  HB-          20 ARG  HN          2.90    (#    605:10  Unique         2.19, 2.66 A)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 309, 310,
 &end
#
#   20 ARG  HG+          20 ARG  HN          5.60    (#    606:10  Unique         2.99, 4.46 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 312, 313,
 &end
#
#    0 AMB  10-2:607     20 ARG  HN          4.60    (#    607:10  Single Ambig)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 342, 343, 344, 174, 175, 176, 178, 179, 180,
 &end
#
#   12 LEU  HN           19 PHE  HN          2.90    (#    608:10  Unique         2.65, 3.20 A)
 &rst
  ixpk= 608, nxpk= 10, iat= 184, 285, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:609     19 PHE  HN          4.60    (#    609:10  Single Ambig)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 305, 203,
 &end
#
#    0 AMB  10-2:610     19 PHE  HN          5.60    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 295, 299, 213,
 &end
#
#   19 PHE  HD           19 PHE  HN          3.60    (#    611:10  Unique         2.23, 3.87 A)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 293, 301,
 &end
#
#   13 HIS  HA           19 PHE  HN          3.60    (#    612:10  Unique         2.87, 3.57 A)
 &rst
  ixpk= 612, nxpk= 10, iat= 205, 285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   18 ASN  HA           19 PHE  HN          2.90    (#    613:10  Unique         2.14, 2.23 A)
 &rst
  ixpk= 613, nxpk= 10, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   11 VAL  HA           19 PHE  HN          4.60    (#    614:10  Unique         4.05, 4.75 A)
 &rst
  ixpk= 614, nxpk= 10, iat= 170, 285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   19 PHE  HA           19 PHE  HN          3.60    (#    615:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 615, nxpk= 10, iat= 287, 285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   19 PHE  HB+          19 PHE  HN          2.90    (#    616:10  Unique         2.22, 3.17 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 289, 290,
 &end
#
#   19 PHE  HB-          19 PHE  HN          2.90    (#    617:10  Unique         2.22, 3.17 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 289, 290,
 &end
#
#   18 ASN  HB-          19 PHE  HN          3.60    (#    618:10  Unique         2.40, 3.64 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 275, 276,
 &end
#
#   17 GLU  HB+          19 PHE  HN          4.60    (#    619:10  Unique         4.98, 6.16 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 260, 261,
 &end
#
#   12 LEU  MDX          19 PHE  HN          4.60    (#    620:10  Unique         4.28, 6.97 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 193, 194, 195, 197, 198, 199,
 &end
#
#    0 AMB  10-2:621     19 PHE  HN          3.60    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 174, 175, 176, 178, 179, 180, 193, 194, 195, 197,
       198, 199, 342, 343, 344,
 &end
#
#   19 PHE  HN           18 ASN  HN          4.60    (#    622:10  Preassigned    4.21, 4.47 A)
 &rst
  ixpk= 622, nxpk= 10, iat= 285, 271, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   17 GLU  HN           18 ASN  HN          5.60    (#    623:10  Unique         4.24, 4.52 A)
 &rst
  ixpk= 623, nxpk= 10, iat= 256, 271, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   18 ASN  HA           18 ASN  HN          3.60    (#    624:10  Unique         2.81, 2.92 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 273, 271, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   17 GLU  HA           18 ASN  HN          2.90    (#    625:10  Unique         2.17, 2.39 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 258, 271, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   18 ASN  HB+          18 ASN  HN          2.90    (#    626:10  Unique         2.19, 3.04 A)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 275, 276,
 &end
#
#   18 ASN  HB-          18 ASN  HN          2.90    (#    627:10  Unique         2.19, 3.04 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 275, 276,
 &end
#
#   17 GLU  HG-          18 ASN  HN          3.60    (#    628:10  Unique         3.34, 4.31 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 263, 264,
 &end
#
#   17 GLU  HG+          18 ASN  HN          3.60    (#    629:10  Unique         3.34, 4.31 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 263, 264,
 &end
#
#   17 GLU  HB+          18 ASN  HN          3.60    (#    630:10  Unique         2.01, 3.17 A)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 260, 261,
 &end
#
#   17 GLU  HB-          18 ASN  HN          3.60    (#    631:10  Unique         2.01, 3.17 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 260, 261,
 &end
#
#   17 GLU  HN           16 GLY  HN          3.60    (#    632:10  Unique         1.90, 3.06 A)
 &rst
  ixpk= 632, nxpk= 10, iat= 256, 249, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   15 ASP  HA           16 GLY  HN          3.60    (#    634:10  Unique         2.15, 2.90 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 239, 249, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   16 GLY  HA+          16 GLY  HN          2.90    (#    635:10  Unique         2.29, 2.63 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 251, 252,
 &end
#
#   16 GLY  HA-          16 GLY  HN          2.90    (#    636:10  Unique         2.29, 2.63 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 251, 252,
 &end
#
#   14 MET  HA           15 ASP  HN          3.60    (#    638:10  Unique         2.16, 3.34 A)
 &rst
  ixpk= 638, nxpk= 10, iat= 222, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   15 ASP  HA           15 ASP  HN          3.60    (#    639:10  Unique         2.27, 2.84 A)
 &rst
  ixpk= 639, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   17 GLU  HN           14 MET  HN          3.60    (#    640:10  Unique         4.23, 4.96 A)
 &rst
  ixpk= 640, nxpk= 10, iat= 256, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   13 HIS  HE1          14 MET  HN          5.60    (#    641:10  Preassigned    4.90, 6.88 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 213, 220, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   19 PHE  HD           14 MET  HN          4.60    (#    642:10  Preassigned    2.17, 5.43 A)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 293, 301,
 &end
#
#   13 HIS  HA           14 MET  HN          2.90    (#    643:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 643, nxpk= 10, iat= 205, 220, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   14 MET  HA           14 MET  HN          2.90    (#    644:10  Unique         2.81, 2.92 A)
 &rst
  ixpk= 644, nxpk= 10, iat= 222, 220, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   14 MET  HG+          14 MET  HN          4.60    (#    646:10  Unique         2.22, 3.30 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 227, 228,
 &end
#
#   14 MET  HG-          14 MET  HN          4.60    (#    647:10  Unique         2.22, 3.30 A)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 227, 228,
 &end
#
#   14 MET  HB+          14 MET  HN          2.90    (#    648:10  Unique         2.21, 3.13 A)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 224, 225,
 &end
#
#   14 MET  HB-          14 MET  HN          2.90    (#    649:10  Unique         2.21, 3.13 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 224, 225,
 &end
#
#   13 HIS  HB+          14 MET  HN          5.60    (#    650:10  Unique         3.13, 4.00 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 207, 208,
 &end
#
#   18 ASN  HD2-         13 HIS  HN          5.60    (#    651:10  Unique         3.15, 5.51 A)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 280, 281,
 &end
#
#   13 HIS  HA           13 HIS  HN          3.60    (#    652:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 652, nxpk= 10, iat= 205, 203, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   13 HIS  HB+          13 HIS  HN          3.60    (#    654:10  Unique         2.38, 3.17 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 207, 208,
 &end
#
#   13 HIS  HB-          13 HIS  HN          2.90    (#    655:10  Unique         2.38, 3.17 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 207, 208,
 &end
#
#   12 LEU  MDX          13 HIS  HN          3.60    (#    656:10  Unique         2.29, 4.74 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 193, 194, 195, 197, 198, 199,
 &end
#
#   12 LEU  HB+          13 HIS  HN          3.60    (#    657:10  Preassigned    3.90, 4.25 A)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 188, 189,
 &end
#
#    0 AMB  10-2:658     13 HIS  HN          3.60    (#    658:10  Single Ambig)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 193, 194, 195, 197, 198, 199, 191,
 &end
#
#   21 ILE  HN           12 LEU  HN          5.60    (#    660:10  Unique         4.32, 5.00 A)
 &rst
  ixpk= 660, nxpk= 10, iat= 329, 184, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:661     12 LEU  HN          4.60    (#    661:10  Single Ambig)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 203, 305,
 &end
#
#    0 AMB  10-2:662     12 LEU  HN          4.60    (#    662:10  Single Ambig)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 168, 220,
 &end
#
#   19 PHE  HN           12 LEU  HN          2.90    (#    663:10  Unique         2.65, 3.20 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 285, 184, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   18 ASN  HA           12 LEU  HN          5.60    (#    664:10  Unique         3.74, 4.58 A)
 &rst
  ixpk= 664, nxpk= 10, iat= 273, 184, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   11 VAL  HA           12 LEU  HN          2.90    (#    665:10  Unique         2.17, 2.19 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   19 PHE  HB-          12 LEU  HN          4.60    (#    667:10  Unique         2.38, 4.63 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 289, 290,
 &end
#
#   11 VAL  HB           12 LEU  HN          4.60    (#    668:10  Unique         3.98, 4.15 A)
 &rst
  ixpk= 668, nxpk= 10, iat= 172, 184, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   12 LEU  HB+          12 LEU  HN          3.60    (#    669:10  Unique         2.57, 2.99 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 188, 189,
 &end
#
#   12 LEU  HB-          12 LEU  HN          2.90    (#    670:10  Unique         2.57, 2.99 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 188, 189,
 &end
#
#   12 LEU  MDX          12 LEU  HN          3.60    (#    671:10  Unique         4.34, 5.49 A)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 193, 194, 195, 197, 198, 199,
 &end
#
#   11 VAL  MGY          12 LEU  HN          3.60    (#    672:10  Unique         2.15, 3.97 A)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 174, 175, 176, 178, 179, 180,
 &end
#
#    0 AMB  10-2:673     12 LEU  HN          2.90    (#    673:10  Single Ambig)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 174, 175, 176, 178, 179, 180, 342, 343, 344,
 &end
#
#   10 TRP  HN           11 VAL  HN          5.60    (#    674:10  Unique         4.05, 4.34 A)
 &rst
  ixpk= 674, nxpk= 10, iat= 144, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   12 LEU  HN           11 VAL  HN          5.60    (#    675:10  Unique         4.39, 4.46 A)
 &rst
  ixpk= 675, nxpk= 10, iat= 184, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   11 VAL  HA           11 VAL  HN          2.90    (#    676:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 676, nxpk= 10, iat= 170, 168, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   10 TRP  HA           11 VAL  HN          2.90    (#    677:10  Unique         2.14, 2.24 A)
 &rst
  ixpk= 677, nxpk= 10, iat= 146, 168, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:678     11 VAL  HN          2.90    (#    678:10  Single Ambig)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 148, 149, 148, 149,
 &end
#
#   11 VAL  HB           11 VAL  HN          3.60    (#    679:10  Unique         2.64, 2.92 A)
 &rst
  ixpk= 679, nxpk= 10, iat= 172, 168, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   87 ILE  HG1-         11 VAL  HN          5.60    (#    680:10  Unique         2.49, 3.47 A)
 &rst
  ixpk= 680, nxpk= 10, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1358,1359,
 &end
#
#   84 ILE  QG2          11 VAL  HN          4.60    (#    681:10  Unique         3.46, 5.45 A)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1306,1307,1308,
 &end
#
#   11 VAL  MGY          11 VAL  HN          2.90    (#    682:10  Unique         1.96, 3.82 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 174, 175, 176, 178, 179, 180,
 &end
#
#    0 AMB  10-2:683     11 VAL  HN          2.90    (#    683:10  Single Ambig)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 174, 175, 176, 178, 179, 180,1361,1362,1363,
 &end
#
#   11 VAL  HN           10 TRP  HN          5.60    (#    684:10  Unique         4.05, 4.34 A)
 &rst
  ixpk= 684, nxpk= 10, iat= 168, 144, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 TRP  HE3          10 TRP  HN          3.60    (#    685:10  Unique         4.08, 4.92 A)
 &rst
  ixpk= 685, nxpk= 10, iat= 163, 144, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   10 TRP  HZ3          10 TRP  HN          5.60    (#    686:10  Unique         6.13, 7.19 A)
 &rst
  ixpk= 686, nxpk= 10, iat= 161, 144, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 THR  HA           10 TRP  HN          2.90    (#    687:10  Unique         2.14, 2.21 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 132, 144, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:688     10 TRP  HN          4.60    (#    688:10  Single Ambig)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 350, 170,
 &end
#
#   10 TRP  HA           10 TRP  HN          3.60    (#    689:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 689, nxpk= 10, iat= 146, 144, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   10 TRP  HB-          10 TRP  HN          2.90    (#    690:10  Unique         2.64, 3.14 A)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 148, 149,
 &end
#
#    9 THR  HB           10 TRP  HN          5.60    (#    691:10  Unique         3.30, 3.70 A)
 &rst
  ixpk= 691, nxpk= 10, iat= 134, 144, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   21 ILE  HB           10 TRP  HN          3.60    (#    692:10  Unique         2.34, 3.14 A)
 &rst
  ixpk= 692, nxpk= 10, iat= 333, 144, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    9 THR  MG2          10 TRP  HN          3.60    (#    693:10  Unique         2.05, 3.40 A)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 136, 137, 138,
 &end
#
#    0 AMB  10-2:694     10 TRP  HN          3.60    (#    694:10  Single Ambig)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1361,1362,1363, 354, 355, 356, 358, 359, 360, 335,
       336, 337, 342, 343, 344,
 &end
#
#   77 LEU  MDY          10 TRP  HN          5.60    (#    695:10  Unique         5.31, 7.50 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#    8 ASN  HN            9 THR  HN          5.60    (#    696:10  Unique         4.02, 4.30 A)
 &rst
  ixpk= 696, nxpk= 10, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 THR  HA            9 THR  HN          3.60    (#    697:10  Unique         2.92, 2.92 A)
 &rst
  ixpk= 697, nxpk= 10, iat= 132, 130, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    8 ASN  HA            9 THR  HN          2.90    (#    698:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 698, nxpk= 10, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    9 THR  HB            9 THR  HN          2.90    (#    699:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 699, nxpk= 10, iat= 134, 130, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  10-2:700      9 THR  HN          4.60    (#    700:10  Single Ambig)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1340,1341, 120, 121,
 &end
#
#   86 GLU  HG-           9 THR  HN          4.60    (#    701:10  Unique         2.29, 3.24 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1340,1341,
 &end
#
#    8 ASN  HB-           9 THR  HN          3.60    (#    702:10  Unique         2.86, 4.11 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 120, 121,
 &end
#
#    9 THR  MG2           9 THR  HN          4.60    (#    703:10  Unique         4.31, 4.58 A)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 136, 137, 138,
 &end
#
#   23 LEU  HN            8 ASN  HN          3.60    (#    704:10  Unique         2.62, 3.40 A)
 &rst
  ixpk= 704, nxpk= 10, iat= 364, 116, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    7 THR  HN            8 ASN  HN          5.60    (#    705:10  Unique         4.09, 4.42 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 102, 116, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   22 VAL  HA            8 ASN  HN          4.60    (#    706:10  Unique         4.00, 4.55 A)
 &rst
  ixpk= 706, nxpk= 10, iat= 350, 116, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    7 THR  HA            8 ASN  HN          2.90    (#    707:10  Unique         2.15, 2.24 A)
 &rst
  ixpk= 707, nxpk= 10, iat= 104, 116, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    8 ASN  HA            8 ASN  HN          3.60    (#    709:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 709, nxpk= 10, iat= 118, 116, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    7 THR  HB            8 ASN  HN          2.90    (#    710:10  Unique         2.18, 3.04 A)
 &rst
  ixpk= 710, nxpk= 10, iat= 106, 116, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   23 LEU  HB+           8 ASN  HN          3.60    (#    711:10  Unique         3.07, 4.44 A)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 368, 369,
 &end
#
#    8 ASN  HB+           8 ASN  HN          2.90    (#    712:10  Unique         2.19, 2.89 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 120, 121,
 &end
#
#    8 ASN  HB-           8 ASN  HN          3.60    (#    713:10  Unique         2.19, 2.89 A)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 120, 121,
 &end
#
#   23 LEU  HB-           8 ASN  HN          3.60    (#    714:10  Unique         3.07, 4.44 A)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 368, 369,
 &end
#
#    7 THR  MG2           8 ASN  HN          3.60    (#    715:10  Unique         2.51, 4.15 A)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 108, 109, 110,
 &end
#
#    0 AMB  10-2:716      8 ASN  HN          3.60    (#    716:10  Single Ambig)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 354, 355, 356, 358, 359, 360, 373, 374, 375, 377,
       378, 379,
 &end
#
#   23 LEU  MDY           8 ASN  HN          5.60    (#    717:10  Unique         3.61, 5.94 A)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#    8 ASN  HN            7 THR  HN          4.60    (#    718:10  Unique         4.09, 4.42 A)
 &rst
  ixpk= 718, nxpk= 10, iat= 116, 102, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    7 THR  HA            7 THR  HN          3.60    (#    719:10  Unique         2.76, 2.86 A)
 &rst
  ixpk= 719, nxpk= 10, iat= 104, 102, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:720      7 THR  HN          2.90    (#    720:10  Single Ambig)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=  92,  90,
 &end
#
#    7 THR  HB            7 THR  HN          4.60    (#    721:10  Unique         3.10, 3.60 A)
 &rst
  ixpk= 721, nxpk= 10, iat= 106, 102, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    5 LYS  HB+           7 THR  HN          5.60    (#    722:10  Unique         2.32, 4.56 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  70,  71,
 &end
#
#    5 LYS  HG+           7 THR  HN          5.60    (#    723:10  Unique         2.31, 5.00 A)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  73,  74,
 &end
#
#    6 THR  MG2           7 THR  HN          3.60    (#    724:10  Unique         3.20, 4.78 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=  94,  95,  96,
 &end
#
#    7 THR  MG2           7 THR  HN          3.60    (#    725:10  Unique         2.81, 4.17 A)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 108, 109, 110,
 &end
#
#    0 AMB  10-2:726      5 LYS  HN          3.60    (#    726:10  Single Ambig)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  57,  33,
 &end
#
#    0 AMB  10-2:727      5 LYS  HN          5.60    (#    727:10  Single Ambig)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=  59,  60,  59,  60,
 &end
#
#    5 LYS  HB+           5 LYS  HN          5.60    (#    728:10  Unique         2.28, 3.14 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  70,  71,
 &end
#
#    5 LYS  HB-           5 LYS  HN          5.60    (#    729:10  Unique         2.28, 3.14 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  70,  71,
 &end
#
#    0 AMB  10-2:730      4 SER  HN          4.60    (#    730:10  Single Ambig)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  33,  57,
 &end
#
#    0 AMB  10-2:731      4 SER  HN          4.60    (#    731:10  Single Ambig)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  59,  60,  59,  60,
 &end
#
#    2 ASP  HA            3 ARG  HN          3.60    (#    732:10  Unique         2.15, 2.54 A)
 &rst
  ixpk= 732, nxpk= 10, iat=  21,  31, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    3 ARG  HA            3 ARG  HN          3.60    (#    733:10  Unique         2.28, 2.83 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  33,  31, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:734      3 ARG  HN          4.60    (#    734:10  Single Ambig)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  35,  36,   8,   9,
 &end
#
#    3 ARG  HG+           3 ARG  HN          4.60    (#    735:10  Unique         2.02, 3.92 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  38,  39,
 &end
#
#    3 ARG  HB-           3 ARG  HN          3.60    (#    736:10  Unique         2.20, 2.99 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  35,  36,
 &end
#
#    3 ARG  HG-           3 ARG  HN          4.60    (#    737:10  Unique         2.02, 3.92 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  38,  39,
 &end
#
#    2 ASP  HA            2 ASP  HN          4.60    (#    738:10  Unique         2.27, 2.82 A)
 &rst
  ixpk= 738, nxpk= 10, iat=  21,  19, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    1 GLU  HA            2 ASP  HN          3.60    (#    739:10  Unique         2.14, 2.75 A)
 &rst
  ixpk= 739, nxpk= 10, iat=   6,  19, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    2 ASP  HB+           2 ASP  HN          4.60    (#    740:10  Unique         2.25, 3.17 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1,  19, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  23,  24,
 &end
#
#    2 ASP  HB-           2 ASP  HN          3.60    (#    741:10  Unique         2.25, 3.17 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,  19, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  23,  24,
 &end
#
#   14 MET  HN           17 GLU  HN          3.60    (#    742:10  Unique         4.23, 4.96 A)
 &rst
  ixpk= 742, nxpk= 10, iat= 220, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   16 GLY  HN           17 GLU  HN          3.60    (#    743:10  Unique         1.90, 3.06 A)
 &rst
  ixpk= 743, nxpk= 10, iat= 249, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   18 ASN  HN           17 GLU  HN          4.60    (#    744:10  Unique         4.24, 4.52 A)
 &rst
  ixpk= 744, nxpk= 10, iat= 271, 256, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   18 ASN  HD2-         17 GLU  HN          5.60    (#    745:10  Unique         4.96, 7.63 A)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 280, 281,
 &end
#
#    0 AMB  10-2:746     17 GLU  HN          4.60    (#    746:10  Single Ambig)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 295, 299, 213,
 &end
#
#   13 HIS  HA           17 GLU  HN          5.60    (#    747:10  Unique         4.25, 5.75 A)
 &rst
  ixpk= 747, nxpk= 10, iat= 205, 256, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   17 GLU  HA           17 GLU  HN          2.90    (#    748:10  Unique         2.76, 2.87 A)
 &rst
  ixpk= 748, nxpk= 10, iat= 258, 256, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   15 ASP  HA           17 GLU  HN          5.60    (#    749:10  Unique         3.69, 4.89 A)
 &rst
  ixpk= 749, nxpk= 10, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   16 GLY  HA+          17 GLU  HN          3.60    (#    750:10  Unique         2.38, 3.10 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 251, 252,
 &end
#
#   16 GLY  HA-          17 GLU  HN          3.60    (#    751:10  Unique         2.38, 3.10 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 251, 252,
 &end
#
#    0 AMB  10-2:752     17 GLU  HN          4.60    (#    752:10  Single Ambig)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 241, 242, 241, 242,
 &end
#
#   17 GLU  HG+          17 GLU  HN          3.60    (#    753:10  Unique         2.10, 3.23 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 263, 264,
 &end
#
#   17 GLU  HG-          17 GLU  HN          3.60    (#    754:10  Unique         2.10, 3.23 A)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 263, 264,
 &end
#
#   17 GLU  HB+          17 GLU  HN          3.60    (#    755:10  Unique         2.19, 3.12 A)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 260, 261,
 &end
#
#   17 GLU  HB-          17 GLU  HN          2.90    (#    756:10  Unique         2.19, 3.12 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 260, 261,
 &end
#
#   89 SER  HN           88 ALA  HN          4.60    (#    758:10  Unique         2.82, 3.62 A)
 &rst
  ixpk= 758, nxpk= 10, iat=1377,1367, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   88 ALA  HA           88 ALA  HN          2.90    (#    759:10  Unique         2.28, 2.84 A)
 &rst
  ixpk= 759, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   87 ILE  HA           88 ALA  HN          3.60    (#    760:10  Unique         2.20, 2.22 A)
 &rst
  ixpk= 760, nxpk= 10, iat=1350,1367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   87 ILE  HB           88 ALA  HN          4.60    (#    761:10  Unique         3.87, 3.93 A)
 &rst
  ixpk= 761, nxpk= 10, iat=1352,1367, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   88 ALA  MB           88 ALA  HN          2.90    (#    762:10  Unique         2.29, 3.26 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1371,1372,1373,
 &end
#
#   87 ILE  HG1+         88 ALA  HN          5.60    (#    763:10  Unique         4.23, 4.68 A)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1358,1359,
 &end
#
#   87 ILE  QG2          88 ALA  HN          3.60    (#    764:10  Unique         2.06, 3.01 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1354,1355,1356,
 &end
#
#   31 TRP  HZ2          31 TRP  HE1         4.60    (#    765:10  Unique         2.82, 2.82 A)
 &rst
  ixpk= 765, nxpk= 10, iat= 500, 497, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   31 TRP  HD1          31 TRP  HE1         3.60    (#    766:10  Unique         2.57, 2.57 A)
 &rst
  ixpk= 766, nxpk= 10, iat= 495, 497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:767     31 TRP  HE1         4.60    (#    767:10  Single Ambig)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 390, 391, 387, 388,
 &end
#
#   10 TRP  HZ2          10 TRP  HE1         4.60    (#    768:10  Unique         2.82, 2.82 A)
 &rst
  ixpk= 768, nxpk= 10, iat= 157, 154, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   20 ARG  HN           33 ASN  HD2+        5.60    (#    770:10  Unique         1.91, 3.37 A)
 &rst
  ixpk= 770, nxpk= 10, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 531, 532,
 &end
#
#   20 ARG  HN           33 ASN  HD2-        3.60    (#    771:10  Unique         1.91, 3.37 A)
 &rst
  ixpk= 771, nxpk= 10, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 531, 532,
 &end
#
#   33 ASN  HA           33 ASN  HD2+        4.60    (#    774:10  Unique         1.95, 2.89 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 531, 532,
 &end
#
#   33 ASN  HA           33 ASN  HD2-        5.60    (#    775:10  Unique         1.95, 2.89 A)
 &rst
  ixpk= 775, nxpk= 10, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 531, 532,
 &end
#
#   19 PHE  HA           33 ASN  HD2+        3.60    (#    776:10  Unique         1.97, 2.99 A)
 &rst
  ixpk= 776, nxpk= 10, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 531, 532,
 &end
#
#   19 PHE  HA           33 ASN  HD2-        2.90    (#    777:10  Unique         1.97, 2.99 A)
 &rst
  ixpk= 777, nxpk= 10, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 531, 532,
 &end
#
#   33 ASN  HB+          33 ASN  HD2+        3.60    (#    778:10  Unique         2.20, 3.44 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 526, 527,
 igr2= 531, 532,
 &end
#
#   33 ASN  HB-          33 ASN  HD2+        2.90    (#    779:10  Unique         2.20, 3.44 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 526, 527,
 igr2= 531, 532,
 &end
#
#   33 ASN  HB-          33 ASN  HD2-        3.60    (#    780:10  Unique         2.20, 3.44 A)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 526, 527,
 igr2= 531, 532,
 &end
#
#   33 ASN  HB+          33 ASN  HD2-        3.60    (#    781:10  Unique         2.20, 3.44 A)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 526, 527,
 igr2= 531, 532,
 &end
#
#   19 PHE  HB+          33 ASN  HD2-        5.60    (#    782:10  Unique         1.95, 4.43 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 289, 290,
 igr2= 531, 532,
 &end
#
#   18 ASN  HN           18 ASN  HD2+        5.60    (#    783:10  Unique         2.32, 4.62 A)
 &rst
  ixpk= 783, nxpk= 10, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 280, 281,
 &end
#
#   18 ASN  HB-          18 ASN  HD2+        3.60    (#    786:10  Unique         2.12, 3.27 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#   18 ASN  HB+          18 ASN  HD2+        3.60    (#    787:10  Unique         2.12, 3.27 A)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#   18 ASN  HB-          18 ASN  HD2-        4.60    (#    788:10  Unique         2.12, 3.27 A)
 &rst
  ixpk= 788, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#   18 ASN  HB+          18 ASN  HD2-        4.60    (#    789:10  Unique         2.12, 3.27 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 275, 276,
 igr2= 280, 281,
 &end
#
#   56 ASN  HB+          56 ASN  HD2+        3.60    (#    792:10  Unique         2.11, 3.24 A)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 855, 856,
 igr2= 860, 861,
 &end
#
#   56 ASN  HB-          56 ASN  HD2+        3.60    (#    793:10  Unique         2.11, 3.24 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 855, 856,
 igr2= 860, 861,
 &end
#
#   56 ASN  HB-          56 ASN  HD2-        3.60    (#    794:10  Unique         2.11, 3.24 A)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 855, 856,
 igr2= 860, 861,
 &end
#
#   56 ASN  HB+          56 ASN  HD2-        4.60    (#    795:10  Unique         2.11, 3.24 A)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 855, 856,
 igr2= 860, 861,
 &end
#
#   81 ASN  HB-          81 ASN  HD2-        2.90    (#    798:10  Unique         2.11, 3.26 A)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1251,1252,
 igr2=1256,1257,
 &end
#
#   81 ASN  HB+          81 ASN  HD2-        2.90    (#    799:10  Unique         2.11, 3.26 A)
 &rst
  ixpk= 799, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1=1251,1252,
 igr2=1256,1257,
 &end
#
#   81 ASN  HB-          81 ASN  HD2+        3.60    (#    800:10  Unique         2.11, 3.26 A)
 &rst
  ixpk= 800, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1251,1252,
 igr2=1256,1257,
 &end
#
#   81 ASN  HB+          81 ASN  HD2+        4.60    (#    801:10  Unique         2.11, 3.26 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1251,1252,
 igr2=1256,1257,
 &end
#
#    8 ASN  HB-           8 ASN  HD2-        4.60    (#    802:10  Unique         2.11, 3.23 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 120, 121,
 igr2= 125, 126,
 &end
#
#    8 ASN  HA            8 ASN  HD2-        5.60    (#    803:10  Unique         2.05, 3.89 A)
 &rst
  ixpk= 803, nxpk= 10, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 125, 126,
 &end
#
#   69 ARG  HA           69 ARG  HN          2.90    (#    816:10  Unique         2.27, 2.75 A)
 &rst
  ixpk= 816, nxpk= 10, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   69 ARG  HB+          69 ARG  HN          2.90    (#    819:10  Unique         2.24, 2.93 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1048,1049,
 &end
#
#   69 ARG  HB+          69 ARG  HN          2.90    (#    820:10  Unique         2.24, 2.93 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1048,1049,
 &end
#
#   77 LEU  MDY          84 ILE  HN          5.60    (#    822:10  Unique         4.73, 6.56 A)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   81 ASN  HB-          82 ARG  HN          4.60    (#    823:10  Unique         4.13, 4.37 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1251,1252,
 &end
#
#    0 AMB  10-2:824     81 ASN  HN          5.60    (#    824:10  Single Ambig)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1=1225,1226,1227,1229,1230,1231,1313,1314,1315,
 &end
#
#   81 ASN  HA           80 ASP  HN          5.60    (#    825:10  Unique         4.87, 4.98 A)
 &rst
  ixpk= 825, nxpk= 10, iat=1249,1235, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:826     80 ASP  HN          4.60    (#    826:10  Single Ambig)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 886, 887, 869, 870,
 &end
#
#    0 AMB  10-2:827     80 ASP  HN          4.60    (#    827:10  Single Ambig)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1223, 898, 899,1268,1269,
 &end
#
#   81 ASN  HA           79 VAL  HN          5.60    (#    828:10  Preassigned    5.14, 5.30 A)
 &rst
  ixpk= 828, nxpk= 10, iat=1249,1219, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   76 THR  HN           77 LEU  HN          5.60    (#    829:10  Unique         4.41, 4.47 A)
 &rst
  ixpk= 829, nxpk= 10, iat=1167,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   78 ILE  HN           77 LEU  HN          4.60    (#    830:10  Unique         4.36, 4.47 A)
 &rst
  ixpk= 830, nxpk= 10, iat=1200,1181, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   84 ILE  HN           77 LEU  HN          5.60    (#    831:10  Preassigned    3.96, 4.12 A)
 &rst
  ixpk= 831, nxpk= 10, iat=1300,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:832     77 LEU  HN          4.60    (#    832:10  Single Ambig)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1304,1337,1338,
 &end
#
#   75 HIS  HD2          76 THR  HN          4.60    (#    833:10  Unique         4.19, 5.53 A)
 &rst
  ixpk= 833, nxpk= 10, iat=1163,1167, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   64 VAL  HB           74 ILE  HN          4.60    (#    834:10  Unique         2.84, 3.41 A)
 &rst
  ixpk= 834, nxpk= 10, iat= 981,1131, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   71 GLU  HN           72 GLY  HN          5.60    (#    835:10  Unique         1.90, 3.55 A)
 &rst
  ixpk= 835, nxpk= 10, iat=1090,1105, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:836     72 GLY  HN          4.60    (#    836:10  Single Ambig)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1097,1098,1097,1098,
 &end
#
#   72 GLY  HN           71 GLU  HN          5.60    (#    837:10  Unique         1.90, 3.55 A)
 &rst
  ixpk= 837, nxpk= 10, iat=1105,1090, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:838      0 AMB  10-1:838    3.60    (#    838:10  Double Ambig)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 818, 819,1017,1018,1017,1018,
 igr2= 865,1004,
 &end
#
#   46 ASP  HB-          65 SER  HN          5.60    (#    839:10  Unique         6.61, 9.86 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 719, 720,
 &end
#
#   76 THR  HN           62 LYS  HN          3.60    (#    840:10  Unique         2.53, 2.99 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1167, 945, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   63 ALA  HN           62 LYS  HN          5.60    (#    841:10  Preassigned    4.39, 4.47 A)
 &rst
  ixpk= 841, nxpk= 10, iat= 967, 945, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   77 LEU  HA           62 LYS  HN          4.60    (#    842:10  Unique         3.60, 4.08 A)
 &rst
  ixpk= 842, nxpk= 10, iat=1183, 945, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:843     62 LYS  HN          4.60    (#    843:10  Single Ambig)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1210,1211, 936, 937,
 &end
#
#    0 AMB  10-2:844     61 ILE  HN          4.60    (#    844:10  Single Ambig)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 905, 967, 645,
 &end
#
#    0 AMB  10-2:845     61 ILE  HN          5.60    (#    845:10  Single Ambig)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 945, 777,
 &end
#
#   50 THR  MG2          61 ILE  HN          4.60    (#    846:10  Unique         3.61, 5.49 A)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 769, 770, 771,
 &end
#
#   60 TYR  HB+          60 TYR  HN          4.60    (#    847:10  Unique         2.74, 3.47 A)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 909, 910,
 &end
#
#   54 ILE  QD1          59 CYS  HN          5.60    (#    848:10  Preassigned    5.73, 8.20 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 838, 839, 840,
 &end
#
#   54 ILE  QD1          55 GLY  HN          5.60    (#    850:10  Preassigned    4.33, 5.94 A)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 838, 839, 840,
 &end
#
#   60 TYR  HN           52 PHE  HN          5.60    (#    851:10  Preassigned    5.15, 5.75 A)
 &rst
  ixpk= 851, nxpk= 10, iat= 905, 794, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:852     52 PHE  HN          2.90    (#    852:10  Single Ambig)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 781, 782, 781, 782,
 &end
#
#   52 PHE  HB-          52 PHE  HN          4.60    (#    853:10  Unique         2.95, 3.66 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 798, 799,
 &end
#
#   60 TYR  HB+          52 PHE  HN          3.60    (#    854:10  Preassigned    3.41, 5.65 A)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 909, 910,
 &end
#
#   59 CYS  HG           52 PHE  HN          4.60    (#    855:10  Unique         5.30, 6.75 A)
 &rst
  ixpk= 855, nxpk= 10, iat= 901, 794, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   52 PHE  HN           51 HIS  HN          5.60    (#    858:10  Unique         3.44, 4.23 A)
 &rst
  ixpk= 858, nxpk= 10, iat= 794, 777, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   39 THR  HB           51 HIS  HN          5.60    (#    859:10  Unique         2.85, 3.67 A)
 &rst
  ixpk= 859, nxpk= 10, iat= 625, 777, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   41 GLY  HA+          51 HIS  HN          5.60    (#    860:10  Unique         4.01, 6.06 A)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 647, 648,
 &end
#
#    0 AMB  10-2:861     50 THR  HN          4.60    (#    861:10  Single Ambig)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 777, 945,
 &end
#
#   60 TYR  HD           50 THR  HN          4.60    (#    862:10  Unique         3.24, 5.77 A)
 &rst
  ixpk= 862, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 913, 922,
 &end
#
#    0 AMB  10-2:863     50 THR  HN          5.60    (#    863:10  Single Ambig)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 936, 937, 939, 940, 941,
 &end
#
#   44 VAL  HN           49 GLU  HN          4.60    (#    864:10  Unique         3.18, 3.92 A)
 &rst
  ixpk= 864, nxpk= 10, iat= 687, 748, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   49 GLU  HB+          49 GLU  HN          2.90    (#    865:10  Unique         2.51, 3.27 A)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 752, 753,
 &end
#
#   47 GLY  HA-          48 THR  HN          2.90    (#    866:10  Unique         2.15, 2.59 A)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 729, 730,
 &end
#
#   44 VAL  HA           47 GLY  HN          5.60    (#    867:10  Unique         4.45, 4.86 A)
 &rst
  ixpk= 867, nxpk= 10, iat= 689, 727, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   44 VAL  HB           47 GLY  HN          5.60    (#    868:10  Unique         3.80, 4.27 A)
 &rst
  ixpk= 868, nxpk= 10, iat= 691, 727, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   47 GLY  HA-          46 ASP  HN          5.60    (#    869:10  Unique         4.87, 5.07 A)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 729, 730,
 &end
#
#   31 TRP  HN           30 VAL  HN          5.60    (#    870:10  Unique         4.41, 4.46 A)
 &rst
  ixpk= 870, nxpk= 10, iat= 487, 471, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:871      0 AMB  10-1:871    5.60    (#    871:10  Double Ambig)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 444, 738,
 igr2= 471, 652,
 &end
#
#    0 AMB  10-2:872     30 VAL  HN          4.60    (#    872:10  Single Ambig)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 463, 464, 578, 579,
 &end
#
#   30 VAL  MGX          30 VAL  HN          4.60    (#    873:10  Unique         1.95, 3.67 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  10-2:874      0 AMB  10-1:874    4.60    (#    874:10  Double Ambig)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
 igr1= 373, 374, 375, 377, 378, 379, 693, 694, 695, 697,
       698, 699, 596, 597, 598, 600, 601, 602,
 igr2= 471, 652,
 &end
#
#   42 GLU  HA           41 GLY  HN          4.60    (#    875:10  Unique         4.70, 5.15 A)
 &rst
  ixpk= 875, nxpk= 10, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   38 GLU  HG-          39 THR  HN          4.60    (#    878:10  Unique         3.00, 4.57 A)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 613, 614,
 &end
#
#   31 TRP  HA           36 LYS  HN          5.60    (#    879:10  Unique         3.97, 4.66 A)
 &rst
  ixpk= 879, nxpk= 10, iat= 489, 565, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   31 TRP  HA           35 LYS  HN          5.60    (#    881:10  Unique         4.23, 5.56 A)
 &rst
  ixpk= 881, nxpk= 10, iat= 489, 543, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:882     35 LYS  HN          5.60    (#    882:10  Single Ambig)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 556, 557, 556, 557,
 &end
#
#   31 TRP  HB-          35 LYS  HN          4.60    (#    883:10  Unique         3.24, 5.84 A)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 491, 492,
 &end
#
#   32 CYS  HA           34 GLY  HN          4.60    (#    884:10  Unique         3.47, 3.75 A)
 &rst
  ixpk= 884, nxpk= 10, iat= 513, 536, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   33 ASN  HB+          34 GLY  HN          5.60    (#    886:10  Unique         3.90, 4.29 A)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 526, 527,
 &end
#
#    0 AMB  10-2:887     33 ASN  HN          5.60    (#    887:10  Single Ambig)
 &rst
  ixpk= 887, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 531, 532, 543,
 &end
#
#   21 ILE  HA           33 ASN  HN          3.60    (#    888:10  Unique         3.14, 3.59 A)
 &rst
  ixpk= 888, nxpk= 10, iat= 331, 522, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   19 PHE  HA           33 ASN  HN          4.60    (#    889:10  Unique         4.18, 4.85 A)
 &rst
  ixpk= 889, nxpk= 10, iat= 287, 522, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:890     33 ASN  HN          4.60    (#    890:10  Single Ambig)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 289, 290, 515, 516, 491, 492,
 &end
#
#   32 CYS  HB-          33 ASN  HN          4.60    (#    891:10  Unique         3.42, 4.16 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 515, 516,
 &end
#
#   20 ARG  HB+          33 ASN  HN          4.60    (#    892:10  Unique         3.37, 4.33 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 309, 310,
 &end
#
#   20 ARG  HB-          33 ASN  HN          5.60    (#    893:10  Unique         3.37, 4.33 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 309, 310,
 &end
#
#    0 AMB  10-2:894     33 ASN  HN          4.60    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 342, 343, 344, 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  10-2:895     32 CYS  HN          4.60    (#    895:10  Single Ambig)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 339, 340, 591, 592, 591, 592, 575, 576,
 &end
#
#   37 LEU  MDY          32 CYS  HN          4.60    (#    896:10  Unique         2.15, 5.43 A)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 596, 597, 598, 600, 601, 602,
 &end
#
#   31 TRP  HE3          31 TRP  HN          4.60    (#    897:10  Preassigned    4.65, 5.57 A)
 &rst
  ixpk= 897, nxpk= 10, iat= 506, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   23 LEU  HA           31 TRP  HN          3.60    (#    898:10  Unique         2.53, 3.24 A)
 &rst
  ixpk= 898, nxpk= 10, iat= 366, 487, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   22 VAL  HB           31 TRP  HN          3.60    (#    900:10  Unique         2.70, 3.53 A)
 &rst
  ixpk= 900, nxpk= 10, iat= 352, 487, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    0 AMB  10-2:901     31 TRP  HN          4.60    (#    901:10  Single Ambig)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 371, 475, 569, 570, 339, 340,
 &end
#
#   28 MET  ME           28 MET  HN          5.60    (#    902:10  Unique         3.66, 5.16 A)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 453, 454, 455,
 &end
#
#    0 AMB  10-2:903     28 MET  HN          5.60    (#    903:10  Single Ambig)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 405, 406, 371, 769, 770, 771, 475,
 &end
#
#   24 GLU  HB-          27 ALA  HN          4.60    (#    904:10  Unique         2.31, 3.06 A)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 387, 388,
 &end
#
#   26 ASP  HB-          27 ALA  HN          2.90    (#    905:10  Preassigned    3.02, 3.64 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 424, 425,
 &end
#
#    0 AMB  10-2:906     27 ALA  HN          5.60    (#    906:10  Single Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 402, 403, 402, 403,
 &end
#
#    0 AMB  10-2:907     27 ALA  HN          5.60    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 405, 406, 371, 475, 769, 770, 771,
 &end
#
#   30 VAL  MGY          24 GLU  HN          4.60    (#    908:10  Unique         4.57, 6.30 A)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#    0 AMB  10-2:909     23 LEU  HN          4.60    (#    909:10  Single Ambig)
 &rst
  ixpk= 909, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 473, 118,
 &end
#
#    7 THR  HB           23 LEU  HN          5.60    (#    910:10  Unique         3.52, 4.39 A)
 &rst
  ixpk= 910, nxpk= 10, iat= 106, 364, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:911     22 VAL  HN          4.60    (#    911:10  Single Ambig)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 522, 329,
 &end
#
#   30 VAL  HA           22 VAL  HN          4.60    (#    912:10  Unique         4.09, 4.65 A)
 &rst
  ixpk= 912, nxpk= 10, iat= 473, 348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   31 TRP  HB+          22 VAL  HN          3.60    (#    913:10  Unique         2.34, 3.33 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 491, 492,
 &end
#
#   21 ILE  HB           22 VAL  HN          4.60    (#    914:10  Preassigned    3.73, 4.18 A)
 &rst
  ixpk= 914, nxpk= 10, iat= 333, 348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:915     22 VAL  HN          5.60    (#    915:10  Single Ambig)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 515, 516, 390, 391,
 &end
#
#    0 AMB  10-2:916     22 VAL  HN          5.60    (#    916:10  Single Ambig)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 339, 340, 368, 369,
 &end
#
#    0 AMB  10-2:917     22 VAL  HN          4.60    (#    917:10  Single Ambig)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 339, 340, 475, 371,
 &end
#
#   30 VAL  MGX          22 VAL  HN          3.60    (#    918:10  Unique         3.19, 6.00 A)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 477, 478, 479, 481, 482, 483,
 &end
#
#   20 ARG  HN           21 ILE  HN          5.60    (#    919:10  Unique         3.98, 4.47 A)
 &rst
  ixpk= 919, nxpk= 10, iat= 305, 329, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 TRP  HE3          21 ILE  HN          5.60    (#    920:10  Unique         4.28, 6.27 A)
 &rst
  ixpk= 920, nxpk= 10, iat= 163, 329, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:921     21 ILE  HN          5.60    (#    921:10  Single Ambig)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 315, 316, 315, 316,
 &end
#
#    0 AMB  10-2:922     21 ILE  HN          4.60    (#    922:10  Single Ambig)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 309, 310, 188, 189,
 &end
#
#   20 ARG  HG-          21 ILE  HN          3.60    (#    923:10  Unique         2.17, 3.28 A)
 &rst
  ixpk= 923, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 312, 313,
 &end
#
#   19 PHE  HD           20 ARG  HN          4.60    (#    924:10  Unique         3.00, 4.99 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 293, 301,
 &end
#
#   33 ASN  HA           20 ARG  HN          4.60    (#    925:10  Unique         2.57, 3.07 A)
 &rst
  ixpk= 925, nxpk= 10, iat= 524, 305, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   20 ARG  HG-          20 ARG  HN          4.60    (#    926:10  Unique         2.99, 4.46 A)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 312, 313,
 &end
#
#   18 ASN  HN           19 PHE  HN          4.60    (#    927:10  Unique         4.21, 4.47 A)
 &rst
  ixpk= 927, nxpk= 10, iat= 271, 285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   14 MET  HA           16 GLY  HN          4.60    (#    928:10  Unique         3.68, 5.47 A)
 &rst
  ixpk= 928, nxpk= 10, iat= 222, 249, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:929     16 GLY  HN          4.60    (#    929:10  Single Ambig)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 241, 242, 241, 242,
 &end
#
#    0 AMB  10-2:930     15 ASP  HN          4.60    (#    930:10  Single Ambig)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 241, 242, 241, 242,
 &end
#
#    0 AMB  10-2:931     14 MET  HN          4.60    (#    931:10  Single Ambig)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 207, 208, 241, 242, 241, 242,
 &end
#
#   10 TRP  HD1          11 VAL  HN          5.60    (#    933:10  Unique         2.20, 4.09 A)
 &rst
  ixpk= 933, nxpk= 10, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   86 GLU  HA           11 VAL  HN          5.60    (#    934:10  Unique         4.40, 5.27 A)
 &rst
  ixpk= 934, nxpk= 10, iat=1335, 168, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:935      9 THR  HN          5.60    (#    935:10  Single Ambig)
 &rst
  ixpk= 935, nxpk= 10, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=1361,1362,1363, 354, 355, 356, 358, 359, 360, 335,
       336, 337,
 &end
#
#   10 TRP  HZ3           8 ASN  HN          5.60    (#    936:10  Unique         4.96,10.56 A)
 &rst
  ixpk= 936, nxpk= 10, iat= 161, 116, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    5 LYS  HA            5 LYS  HN          4.60    (#    937:10  Unique         2.27, 2.88 A)
 &rst
  ixpk= 937, nxpk= 10, iat=  68,  66, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    1 GLU  HB+           2 ASP  HN          4.60    (#    938:10  Unique         2.06, 3.88 A)
 &rst
  ixpk= 938, nxpk= 10, iat=  -1,  19, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   8,   9,
 &end
#
#    0 AMB  10-2:939     31 TRP  HE1         4.60    (#    939:10  Single Ambig)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 463, 464, 390, 391,
 &end
#
#    0 AMB  10-2:940     31 TRP  HE1         4.60    (#    940:10  Single Ambig)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 463, 464, 578, 579,
 &end
#
#   77 LEU  HN           10 TRP  HE1         4.60    (#    941:10  Unique         3.84, 7.53 A)
 &rst
  ixpk= 941, nxpk= 10, iat=1181, 154, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:942     10 TRP  HE1         3.60    (#    942:10  Single Ambig)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1337,1338,1340,1341,1304,
 &end
#
#   84 ILE  QG2          10 TRP  HE1         5.60    (#    943:10  Unique         2.40, 4.29 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1306,1307,1308,
 &end
#
#    0 AMB  10-2:944     10 TRP  HE1         5.60    (#    944:10  Single Ambig)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1=1185,1186, 477, 478, 479, 481, 482, 483,
 &end
#
#    8 ASN  HA            8 ASN  HD2+        5.60    (#    945:10  Unique         2.05, 3.89 A)
 &rst
  ixpk= 945, nxpk= 10, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 125, 126,
 &end
#
#    0 AMB  10-2:946      0 AMB  10-1:946    5.60    (#    946:10  Double Ambig)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 120, 121,1340,1341,
 igr2= 125, 126, 125, 126,
 &end
#
#    0 AMB  10-2:947      0 AMB  10-1:947    5.60    (#    947:10  Double Ambig)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.18, r4=10.68,
 igr1= 408, 409, 408, 409, 120, 121,
 igr2= 125, 126, 125, 126, 125, 126,
 &end
#
#    0 AMB  10-2:948      8 ASN  HD2-        4.60    (#    948:10  Single Ambig)
 &rst
  ixpk= 948, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 120, 121,1340,1341,
 igr2= 125, 126,
 &end
#
#   18 ASN  HN           18 ASN  HD2-        5.60    (#    949:10  Unique         2.32, 4.62 A)
 &rst
  ixpk= 949, nxpk= 10, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 280, 281,
 &end
#
#   19 PHE  HB+          33 ASN  HD2+        5.60    (#    950:10  Unique         1.95, 4.43 A)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 289, 290,
 igr2= 531, 532,
 &end
#
#   81 ASN  HA           81 ASN  HD2-        5.60    (#    951:10  Unique         2.22, 3.89 A)
 &rst
  ixpk= 951, nxpk= 10, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1256,1257,
 &end
#
#    0 AMB  10-2:952     81 ASN  HN          5.60    (#    952:10  Single Ambig)
 &rst
  ixpk= 952, nxpk= 10, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1=1268,1269,1268,1269, 909, 910,1223, 898, 899,
 &end
#
#   58 ASP  HN           80 ASP  HN          4.60    (#    953:10  Unique         3.46, 3.79 A)
 &rst
  ixpk= 953, nxpk= 10, iat= 882,1235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:954     80 ASP  HN          4.60    (#    954:10  Single Ambig)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1206,1207,1208,1204,
 &end
#
#   61 ILE  QG2          77 LEU  HN          5.60    (#    955:10  Preassigned    4.22, 5.93 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 932, 933, 934,
 &end
#
#    0 AMB  10-2:956     75 HIS  HN          5.60    (#    956:10  Single Ambig)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1141,1142,1122,1123, 936, 937,
 &end
#
#    0 AMB  10-2:957     76 THR  HN          5.60    (#    957:10  Single Ambig)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 952, 953, 952, 953,
 &end
#
#   62 LYS  HB-          76 THR  HN          4.60    (#    958:10  Unique         3.17, 4.92 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 949, 950,
 &end
#
#    0 AMB  10-2:959     76 THR  HN          5.60    (#    959:10  Single Ambig)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=1118,1119,1120,1213,1214,1215,
 &end
#
#   73 ILE  QG2          75 HIS  HN          5.60    (#    960:10  Unique         2.68, 4.03 A)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1118,1119,1120,
 &end
#
#   63 ALA  HA           74 ILE  HN          5.60    (#    961:10  Unique         3.25, 3.76 A)
 &rst
  ixpk= 961, nxpk= 10, iat= 969,1131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   71 GLU  HB+          72 GLY  HN          4.60    (#    962:10  Unique         2.09, 4.07 A)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1094,1095,
 &end
#
#   66 SER  HA           66 SER  HN          4.60    (#    963:10  Unique         2.28, 2.74 A)
 &rst
  ixpk= 963, nxpk= 10, iat=1006,1004, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   73 ILE  HA           66 SER  HN          4.60    (#    964:10  Unique         2.92, 3.78 A)
 &rst
  ixpk= 964, nxpk= 10, iat=1114,1004, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   56 ASN  HB-          57 HIS  HN          4.60    (#    965:10  Unique         3.00, 4.08 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 855, 856,
 &end
#
#    0 AMB  10-2:966     65 SER  HN          5.60    (#    966:10  Single Ambig)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1=1070, 729, 730,1107,1108,
 &end
#
#    6 THR  MG2           8 ASN  HN          5.60    (#    967:10  Unique         5.18, 7.10 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  94,  95,  96,
 &end
#
#   54 ILE  HN           55 GLY  HN          5.60    (#    968:10  Unique         1.93, 2.58 A)
 &rst
  ixpk= 968, nxpk= 10, iat= 825, 844, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:969     52 PHE  HN          5.60    (#    969:10  Single Ambig)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 896, 750,
 &end
#
#   59 CYS  HB-          52 PHE  HN          5.60    (#    970:10  Preassigned    3.97, 5.19 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 898, 899,
 &end
#
#   64 VAL  MGY          48 THR  HN          5.60    (#    971:10  Unique         7.44, 9.40 A)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
#   78 ILE  QD1          62 LYS  HN          5.60    (#    972:10  Preassigned    4.72, 5.53 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1213,1214,1215,
 &end
#
#    0 AMB  10-2:973     79 VAL  HN          3.60    (#    973:10  Single Ambig)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1188,1210,1211,
 &end
#
#   50 THR  MG2          41 GLY  HN          5.60    (#    974:10  Unique         2.84, 6.36 A)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 769, 770, 771,
 &end
#
#   39 THR  HN           40 ALA  HN          4.60    (#    975:10  Unique         4.29, 4.38 A)
 &rst
  ixpk= 975, nxpk= 10, iat= 621, 635, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:976     40 ALA  HN          4.60    (#    976:10  Single Ambig)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 647, 648, 796,
 &end
#
#   25 LYS  HA           27 ALA  HN          5.60    (#    977:10  Unique         3.50, 3.93 A)
 &rst
  ixpk= 977, nxpk= 10, iat= 400, 432, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   24 GLU  HN           25 LYS  HN          5.60    (#    978:10  Preassigned    4.31, 4.50 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:979     25 LYS  HN          4.60    (#    979:10  Single Ambig)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=  92, 422,  90,
 &end
#
#   25 LYS  HN           24 GLU  HN          5.60    (#    980:10  Unique         4.31, 4.50 A)
 &rst
  ixpk= 980, nxpk= 10, iat= 398, 383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   22 VAL  MGY          23 LEU  HN          2.90    (#    981:10  Unique         2.05, 4.53 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  10-2:982     21 ILE  HN          5.60    (#    982:10  Single Ambig)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 184, 536, 364,
 &end
#
#   20 ARG  HB+          21 ILE  HN          4.60    (#    983:10  Unique         3.29, 4.12 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 309, 310,
 &end
#
#    0 AMB  10-2:984     21 ILE  HN          4.60    (#    984:10  Single Ambig)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 354, 355, 356, 358, 359, 360, 174, 175, 176, 178,
       179, 180,
 &end
#
#    9 THR  MG2          21 ILE  HN          4.60    (#    985:10  Unique         2.88, 4.40 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 136, 137, 138,
 &end
#
#   19 PHE  HN           20 ARG  HN          4.60    (#    986:10  Preassigned    4.14, 4.43 A)
 &rst
  ixpk= 986, nxpk= 10, iat= 285, 305, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   33 ASN  HD2+         20 ARG  HN          4.60    (#    987:10  Unique         1.91, 3.37 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 531, 532,
 &end
#
#   17 GLU  HA           16 GLY  HN          5.60    (#    988:10  Unique         4.52, 5.21 A)
 &rst
  ixpk= 988, nxpk= 10, iat= 258, 249, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   17 GLU  HB+          16 GLY  HN          5.60    (#    989:10  Unique         3.91, 5.86 A)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 260, 261,
 &end
#
#   12 LEU  HN           13 HIS  HN          4.60    (#    990:10  Unique         3.85, 4.14 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 184, 203, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   19 PHE  HB+          12 LEU  HN          3.60    (#    991:10  Unique         2.38, 4.63 A)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 289, 290,
 &end
#
#    6 THR  HN            7 THR  HN          5.60    (#    992:10  Unique         2.01, 2.82 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  88, 102, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:993      7 THR  HN          5.60    (#    993:10  Single Ambig)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1= 408, 409, 408, 409, 120, 121,  38,  39,
 &end
#
#    5 LYS  HG+           5 LYS  HN          5.60    (#    995:10  Unique         1.95, 3.71 A)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  73,  74,
 &end
#
#    2 ASP  HB+           3 ARG  HN          4.60    (#    996:10  Unique         2.24, 3.98 A)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  23,  24,
 &end
#
#    0 AMB  10-2:997      2 ASP  HN          5.60    (#    997:10  Single Ambig)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,  19, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=  11,  12,  11,  12,
 &end
#
#    0 AMB  10-2:998     79 VAL  HN          3.60    (#    998:10  Single Ambig)
 &rst
  ixpk= 998, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1265,1266,1265,1266,
 &end
#
#   86 GLU  HA           10 TRP  HE1         5.60    (#    999:10  Unique         2.52, 6.21 A)
 &rst
  ixpk= 999, nxpk= 10, iat=1335, 154, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  10-2:1000     9 THR  HN          4.60    (#   1000:10  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 354, 355, 356, 358, 359, 360,1354,1355,1356,
 &end
#
#   57 HIS  HD2          56 ASN  HN          4.60    (#   1001:10  Unique         3.13, 5.96 A)
 &rst
  ixpk= 1001, nxpk= 10, iat= 878, 851, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  10-2:1002    16 GLY  HN          5.60    (#   1002:10  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 216, 280, 281,
 &end
#
#    0 AMB  10-2:1003    76 THR  HN          5.60    (#   1003:10  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 936, 937, 939, 940, 941,
 &end
#
#    0 AMB  10-2:1004     0 AMB  10-1:1004   5.60    (#   1004:10  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1=1320,1321, 729, 730,
 igr2=1300, 967,
 &end
#
#    0 AMB  10-2:1005     0 AMB  10-1:1005   3.60    (#   1005:10  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1107,1108, 846, 847,
 igr2=1004, 865,
 &end
#
#    0 AMB  10-2:1006    33 ASN  HN          5.60    (#   1006:10  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 312, 313, 550, 551,
 &end
#
#    0 AMB  10-2:1007    33 ASN  HN          5.60    (#   1007:10  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 312, 313, 594,
 &end
#
#    0 AMB  10-2:1008    31 TRP  HN          4.60    (#   1008:10  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 354, 355, 356, 358, 359, 360, 627, 628, 629,
 &end
#
#   25 LYS  HG+          26 ASP  HN          4.60    (#   1009:10  Unique         4.13, 4.68 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 405, 406,
 &end
#
#    0 AMB  10-2:1011    22 VAL  HN          2.90    (#   1011:10  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 354, 355, 356, 358, 359, 360, 342, 343, 344,
 &end
#
#    0 AMB  10-2:1012     0 AMB  10-1:1012   4.60    (#   1012:10  Double Ambig)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr1= 572, 573, 693, 694, 695, 697, 698, 699, 939, 940,
       941,
 igr2= 471, 652,
 &end
#
#   39 THR  MG2          53 SER  HN          5.60    (#   1013:10  Unique         5.27, 6.55 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 627, 628, 629,
 &end
#
#   54 ILE  HB           55 GLY  HN          5.60    (#   1014:10  Unique         1.95, 3.62 A)
 &rst
  ixpk= 1014, nxpk= 10, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   54 ILE  HG1+         55 GLY  HN          5.60    (#   1015:10  Unique         4.05, 4.57 A)
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 835, 836,
 &end
#
#   11 VAL  MGX          18 ASN  HD2+        5.60    (#   1016:10  Unique         1.97, 4.91 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 174, 175, 176, 178, 179, 180,
 igr2= 280, 281,
 &end
#
#   11 VAL  MGX          18 ASN  HD2-        5.60    (#   1017:10  Unique         1.97, 4.91 A)
 &rst
  ixpk= 1017, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 174, 175, 176, 178, 179, 180,
 igr2= 280, 281,
 &end
#
#   19 PHE  HD           33 ASN  HD2+        3.60    (#   1018:10  Unique         1.95, 4.39 A)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 293, 301,
 igr2= 531, 532,
 &end
#
#   19 PHE  HD           33 ASN  HD2-        3.60    (#   1019:10  Unique         1.95, 4.39 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 293, 301,
 igr2= 531, 532,
 &end
#
#   10 TRP  HD1          77 LEU  HN          5.60    (#   1021:10  Unique         5.57, 7.36 A)
 &rst
  ixpk= 1021, nxpk= 10, iat= 152,1181, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   75 HIS  HB+           8 ASN  HD2-        5.60    (#   1022:10  Unique         3.09, 6.06 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1154,1155,
 igr2= 125, 126,
 &end
#
#   14 MET  HN           19 PHE  HN          4.60    (#   1024:10  Unique         3.87, 4.59 A)
 &rst
  ixpk= 1024, nxpk= 10, iat= 220, 285, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   64 VAL  HA           48 THR  HN          4.60    (#   1025:10  Preassigned    6.63, 7.28 A)
 &rst
  ixpk= 1025, nxpk= 10, iat= 979, 734, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   60 TYR  HA           52 PHE  HN          3.60    (#   1026:10  Preassigned    3.25, 3.89 A)
 &rst
  ixpk= 1026, nxpk= 10, iat= 907, 794, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H1       GLU   1   3.457   7.975   9.900
    2    H2   GLU   1           H2       GLU   1   2.242   8.964  10.415
    3    H3   GLU   1           H3       GLU   1   3.127   9.357   9.086
    4    HA   GLU   1           HA       GLU   1   3.826  10.714  10.888
    5    HB2  GLU   1           HB2      GLU   1   3.148   9.146  12.693
    6    HB3  GLU   1           HB3      GLU   1   4.485   8.081  12.278
    7    HG2  GLU   1           HG2      GLU   1   5.011   9.420  14.252
    8    HG3  GLU   1           HG3      GLU   1   6.115   9.806  12.942
    9    H    ASP   2           H        ASP   2   5.941  11.481  10.838
   10    HA   ASP   2           HA       ASP   2   7.815  12.016   9.802
   11    HB2  ASP   2           HB2      ASP   2   8.744  10.377  11.339
   12    HB3  ASP   2           HB3      ASP   2   8.557   9.105  10.124
   13    H    ARG   3           H        ARG   3   7.391   8.804   8.262
   14    HA   ARG   3           HA       ARG   3   7.692  10.025   5.571
   15    HB2  ARG   3           HB2      ARG   3   7.968   7.253   6.682
   16    HB3  ARG   3           HB3      ARG   3   7.249   7.372   5.089
   17    HG2  ARG   3           HG2      ARG   3   9.586   7.051   4.817
   18    HG3  ARG   3           HG3      ARG   3   9.146   8.659   4.230
   19    HD2  ARG   3           HD2      ARG   3  10.010   9.660   6.336
   20    HD3  ARG   3           HD3      ARG   3  10.426   8.033   6.928
   21    HE   ARG   3           HE       ARG   3  11.646   8.429   4.394
   22   HH11  ARG   3          HH12      ARG   3  11.935   9.597   7.746
   23   HH12  ARG   3          HH11      ARG   3  13.627   9.967   7.614
   24   HH21  ARG   3          HH21      ARG   3  13.896   8.906   4.225
   25   HH22  ARG   3          HH22      ARG   3  14.759   9.556   5.572
   26    H    SER   4           H        SER   4   5.762  11.296   6.415
   27    HA   SER   4           HA       SER   4   3.192   9.941   5.764
   28    HB2  SER   4           HB2      SER   4   3.704  12.778   6.700
   29    HB3  SER   4           HB3      SER   4   2.148  11.928   6.613
   30    HG   SER   4           HG       SER   4   3.117  11.983   8.738
   31    H    LYS   5           H        LYS   5   5.363  12.579   4.601
   32    HA   LYS   5           HA       LYS   5   3.618  13.095   2.301
   33    HB2  LYS   5           HB2      LYS   5   5.096  14.917   1.773
   34    HB3  LYS   5           HB3      LYS   5   4.606  14.974   3.469
   35    HG2  LYS   5           HG2      LYS   5   6.865  13.973   4.074
   36    HG3  LYS   5           HG3      LYS   5   7.314  14.085   2.363
   37    HD2  LYS   5           HD2      LYS   5   6.852  16.563   2.460
   38    HD3  LYS   5           HD3      LYS   5   6.526  16.390   4.199
   39    HE2  LYS   5           HE2      LYS   5   8.861  15.411   4.454
   40    HE3  LYS   5           HE3      LYS   5   9.147  15.796   2.748
   41    HZ1  LYS   5           HZ1      LYS   5   8.557  17.766   4.894
   42    HZ2  LYS   5           HZ2      LYS   5   9.998  17.548   4.161
   43    HZ3  LYS   5           HZ3      LYS   5   8.733  18.164   3.312
   44    H    THR   6           H        THR   6   5.071  10.453   2.628
   45    HA   THR   6           HA       THR   6   7.193  10.083   0.938
   46    HB   THR   6           HB       THR   6   4.792   8.257   1.363
   47    HG1  THR   6           HG1      THR   6   5.772   7.697   3.259
   48   HG21  THR   6          HG21      THR   6   7.754   7.623   0.871
   49   HG22  THR   6          HG22      THR   6   6.473   6.429   1.204
   50   HG23  THR   6          HG23      THR   6   6.433   7.371  -0.299
   51    H    THR   7           H        THR   7   7.498  10.363  -1.196
   52    HA   THR   7           HA       THR   7   5.465  11.351  -2.887
   53    HB   THR   7           HB       THR   7   7.383  11.170  -4.602
   54    HG1  THR   7           HG1      THR   7   8.664   9.544  -3.666
   55   HG21  THR   7          HG21      THR   7   8.167  12.575  -2.003
   56   HG22  THR   7          HG22      THR   7   8.465  13.081  -3.687
   57   HG23  THR   7          HG23      THR   7   6.827  13.126  -3.011
   58    H    ASN   8           H        ASN   8   4.883  10.524  -5.004
   59    HA   ASN   8           HA       ASN   8   4.612   7.523  -5.168
   60    HB2  ASN   8           HB2      ASN   8   2.669   9.659  -6.108
   61    HB3  ASN   8           HB3      ASN   8   2.577   7.944  -6.500
   62   HD21  ASN   8          HD22      ASN   8   2.593   6.404  -4.385
   63   HD22  ASN   8          HD21      ASN   8   1.529   6.983  -3.133
   64    H    THR   9           H        THR   9   5.315   6.655  -7.039
   65    HA   THR   9           HA       THR   9   6.259   8.505  -9.151
   66    HB   THR   9           HB       THR   9   7.552   5.925  -8.206
   67    HG1  THR   9           HG1      THR   9   9.118   7.191  -7.384
   68   HG21  THR   9          HG21      THR   9   9.382   6.456  -9.818
   69   HG22  THR   9          HG22      THR   9   7.864   5.996 -10.594
   70   HG23  THR   9          HG23      THR   9   8.337   7.691 -10.547
   71    H    TRP  10           H        TRP  10   5.775   7.861 -11.249
   72    HA   TRP  10           HA       TRP  10   4.234   5.351 -11.669
   73    HB2  TRP  10           HB2      TRP  10   3.511   8.139 -12.699
   74    HB3  TRP  10           HB3      TRP  10   2.707   6.643 -13.150
   75    HD1  TRP  10           HD1      TRP  10   1.009   5.615 -11.411
   76    HE1  TRP  10           HE1      TRP  10  -0.170   6.497  -9.329
   77    HE3  TRP  10           HE3      TRP  10   3.746   9.835 -10.749
   78    HZ2  TRP  10           HZ2      TRP  10  -0.192   9.007  -7.822
   79    HZ3  TRP  10           HZ3      TRP  10   3.022  11.560  -9.142
   80    HH2  TRP  10           HH2      TRP  10   1.047  11.171  -7.664
   81    H    VAL  11           H        VAL  11   4.532   4.554 -13.826
   82    HA   VAL  11           HA       VAL  11   6.536   5.988 -15.422
   83    HB   VAL  11           HB       VAL  11   7.424   3.899 -14.583
   84   HG11  VAL  11          HG11      VAL  11   5.262   2.481 -16.190
   85   HG12  VAL  11          HG12      VAL  11   6.635   1.716 -15.377
   86   HG13  VAL  11          HG13      VAL  11   5.387   2.524 -14.420
   87   HG21  VAL  11          HG21      VAL  11   8.294   3.047 -16.713
   88   HG22  VAL  11          HG22      VAL  11   6.976   3.822 -17.612
   89   HG23  VAL  11          HG23      VAL  11   8.186   4.812 -16.783
   90    H    LEU  12           H        LEU  12   6.036   6.413 -17.547
   91    HA   LEU  12           HA       LEU  12   3.358   5.539 -18.565
   92    HB2  LEU  12           HB2      LEU  12   4.784   8.203 -18.993
   93    HB3  LEU  12           HB3      LEU  12   3.280   7.698 -19.766
   94    HG   LEU  12           HG       LEU  12   3.624   8.183 -16.784
   95   HD11  LEU  12          HD11      LEU  12   2.286   9.839 -18.979
   96   HD12  LEU  12          HD12      LEU  12   2.307  10.232 -17.247
   97   HD13  LEU  12          HD13      LEU  12   3.815  10.231 -18.164
   98   HD21  LEU  12          HD21      LEU  12   1.903   6.471 -17.312
   99   HD22  LEU  12          HD22      LEU  12   1.175   7.970 -16.748
  100   HD23  LEU  12          HD23      LEU  12   1.160   7.561 -18.485
  101    H    HIS  13           H        HIS  13   3.662   4.237 -20.252
  102    HA   HIS  13           HA       HIS  13   6.089   4.557 -21.877
  103    HB2  HIS  13           HB2      HIS  13   5.505   2.265 -21.160
  104    HB3  HIS  13           HB3      HIS  13   3.942   2.407 -21.958
  105    HD1  HIS  13           HD1      HIS  13   7.129   3.614 -23.782
  106    HD2  HIS  13           HD2      HIS  13   4.473   0.340 -23.590
  107    HE1  HIS  13           HE1      HIS  13   7.704   2.091 -25.744
  108    H    MET  14           H        MET  14   5.875   6.007 -23.584
  109    HA   MET  14           HA       MET  14   3.342   6.253 -25.000
  110    HB2  MET  14           HB2      MET  14   4.663   8.657 -23.662
  111    HB3  MET  14           HB3      MET  14   3.297   8.715 -24.781
  112    HG2  MET  14           HG2      MET  14   1.973   7.343 -23.152
  113    HG3  MET  14           HG3      MET  14   3.317   7.454 -22.019
  114    HE1  MET  14           HE1      MET  14   3.296  11.374 -21.242
  115    HE2  MET  14           HE2      MET  14   4.241   9.874 -21.110
  116    HE3  MET  14           HE3      MET  14   4.113  10.725 -22.672
  117    H    ASP  15           H        ASP  15   3.714   6.761 -27.137
  118    HA   ASP  15           HA       ASP  15   4.850   6.861 -29.064
  119    HB2  ASP  15           HB2      ASP  15   4.573   9.212 -28.377
  120    HB3  ASP  15           HB3      ASP  15   6.209   9.200 -27.706
  121    H    GLY  16           H        GLY  16   5.928   4.871 -27.464
  122    HA2  GLY  16           HA2      GLY  16   7.615   3.333 -27.729
  123    HA3  GLY  16           HA3      GLY  16   8.461   4.449 -28.803
  124    H    GLU  17           H        GLU  17   7.941   6.275 -26.053
  125    HA   GLU  17           HA       GLU  17  10.541   5.576 -24.884
  126    HB2  GLU  17           HB2      GLU  17   8.955   8.158 -25.036
  127    HB3  GLU  17           HB3      GLU  17  10.235   7.926 -23.842
  128    HG2  GLU  17           HG2      GLU  17  11.830   7.358 -25.659
  129    HG3  GLU  17           HG3      GLU  17  10.574   7.692 -26.857
  130    H    ASN  18           H        ASN  18  10.658   5.990 -22.481
  131    HA   ASN  18           HA       ASN  18   8.153   5.366 -21.054
  132    HB2  ASN  18           HB2      ASN  18  10.828   4.005 -20.716
  133    HB3  ASN  18           HB3      ASN  18   9.788   4.281 -19.324
  134   HD21  ASN  18          HD21      ASN  18   9.946   2.578 -22.478
  135   HD22  ASN  18          HD22      ASN  18   8.603   1.512 -22.138
  136    H    PHE  19           H        PHE  19   7.676   6.958 -19.745
  137    HA   PHE  19           HA       PHE  19   9.788   8.890 -18.879
  138    HB2  PHE  19           HB2      PHE  19   6.780   9.276 -19.092
  139    HB3  PHE  19           HB3      PHE  19   7.949  10.486 -18.611
  140    HD1  PHE  19           HD2      PHE  19   6.639   8.500 -21.468
  141    HD2  PHE  19           HD1      PHE  19   9.300  11.673 -20.252
  142    HE1  PHE  19           HE2      PHE  19   6.980   9.131 -23.844
  143    HE2  PHE  19           HE1      PHE  19   9.638  12.290 -22.634
  144    HZ   PHE  19           HZ       PHE  19   8.498  11.002 -24.435
  145    H    ARG  20           H        ARG  20  10.160   9.082 -16.686
  146    HA   ARG  20           HA       ARG  20   8.380   7.611 -14.844
  147    HB2  ARG  20           HB2      ARG  20  11.236   7.983 -14.875
  148    HB3  ARG  20           HB3      ARG  20  10.630   8.944 -13.542
  149    HG2  ARG  20           HG2      ARG  20  11.148   6.810 -12.651
  150    HG3  ARG  20           HG3      ARG  20   9.394   6.950 -12.674
  151    HD2  ARG  20           HD2      ARG  20  10.039   4.707 -13.375
  152    HD3  ARG  20           HD3      ARG  20   9.305   5.551 -14.727
  153    HE   ARG  20           HE       ARG  20  11.305   5.598 -15.876
  154   HH11  ARG  20          HH11      ARG  20  11.944   4.335 -12.606
  155   HH12  ARG  20          HH12      ARG  20  13.541   3.800 -12.980
  156   HH21  ARG  20          HH21      ARG  20  13.421   4.867 -16.365
  157   HH22  ARG  20          HH22      ARG  20  14.397   4.111 -15.160
  158    H    ILE  21           H        ILE  21   7.011   8.744 -13.542
  159    HA   ILE  21           HA       ILE  21   7.169  11.680 -13.530
  160    HB   ILE  21           HB       ILE  21   4.813   9.823 -13.133
  161   HG12  ILE  21          HG12      ILE  21   5.438  10.027 -15.447
  162   HG13  ILE  21          HG13      ILE  21   3.864  10.755 -15.149
  163   HG21  ILE  21          HG21      ILE  21   4.569  11.781 -11.592
  164   HG22  ILE  21          HG22      ILE  21   4.747  12.856 -12.995
  165   HG23  ILE  21          HG23      ILE  21   3.359  11.742 -12.868
  166   HD11  ILE  21          HD11      ILE  21   4.850  13.006 -15.314
  167   HD12  ILE  21          HD12      ILE  21   6.474  12.294 -15.500
  168   HD13  ILE  21          HD13      ILE  21   5.256  12.026 -16.738
  169    H    VAL  22           H        VAL  22   7.553  12.493 -11.372
  170    HA   VAL  22           HA       VAL  22   6.852  10.704  -9.157
  171    HB   VAL  22           HB       VAL  22   9.363  12.404  -9.205
  172   HG11  VAL  22          HG11      VAL  22   8.364  12.095  -6.949
  173   HG12  VAL  22          HG12      VAL  22   8.339  10.338  -7.203
  174   HG13  VAL  22          HG13      VAL  22   9.886  11.203  -7.092
  175   HG21  VAL  22          HG21      VAL  22   9.146   9.392  -9.449
  176   HG22  VAL  22          HG22      VAL  22   9.729  10.504 -10.712
  177   HG23  VAL  22          HG23      VAL  22  10.648  10.295  -9.215
  178    H    LEU  23           H        LEU  23   5.346  11.729  -7.974
  179    HA   LEU  23           HA       LEU  23   5.076  14.710  -8.197
  180    HB2  LEU  23           HB2      LEU  23   2.980  13.649  -8.267
  181    HB3  LEU  23           HB3      LEU  23   3.395  12.500  -6.998
  182    HG   LEU  23           HG       LEU  23   3.398  14.303  -5.293
  183   HD11  LEU  23          HD11      LEU  23   3.843  16.263  -6.826
  184   HD12  LEU  23          HD12      LEU  23   2.155  16.138  -7.369
  185   HD13  LEU  23          HD13      LEU  23   2.547  16.475  -5.667
  186   HD21  LEU  23          HD21      LEU  23   1.376  12.928  -5.701
  187   HD22  LEU  23          HD22      LEU  23   1.073  14.519  -4.987
  188   HD23  LEU  23          HD23      LEU  23   0.750  14.269  -6.706
  189    H    GLU  24           H        GLU  24   6.248  15.934  -6.749
  190    HA   GLU  24           HA       GLU  24   7.103  14.811  -4.196
  191    HB2  GLU  24           HB2      GLU  24   8.111  16.821  -5.987
  192    HB3  GLU  24           HB3      GLU  24   7.691  17.616  -4.468
  193    HG2  GLU  24           HG2      GLU  24   9.338  15.105  -4.729
  194    HG3  GLU  24           HG3      GLU  24  10.015  16.732  -4.617
  195    H    LYS  25           H        LYS  25   5.680  14.889  -2.530
  196    HA   LYS  25           HA       LYS  25   3.210  16.465  -2.785
  197    HB2  LYS  25           HB2      LYS  25   4.292  14.613  -0.632
  198    HB3  LYS  25           HB3      LYS  25   2.737  15.455  -0.525
  199    HG2  LYS  25           HG2      LYS  25   1.918  14.356  -2.556
  200    HG3  LYS  25           HG3      LYS  25   3.482  13.542  -2.785
  201    HD2  LYS  25           HD2      LYS  25   3.222  12.408  -0.619
  202    HD3  LYS  25           HD3      LYS  25   1.634  13.183  -0.389
  203    HE2  LYS  25           HE2      LYS  25   0.685  12.026  -2.282
  204    HE3  LYS  25           HE3      LYS  25   2.275  11.510  -2.850
  205    HZ1  LYS  25           HZ1      LYS  25   2.478  10.075  -0.910
  206    HZ2  LYS  25           HZ2      LYS  25   0.965  10.499  -0.383
  207    HZ3  LYS  25           HZ3      LYS  25   1.165   9.691  -1.812
  208    H    ASP  26           H        ASP  26   6.425  16.894  -1.450
  209    HA   ASP  26           HA       ASP  26   5.798  18.481   0.776
  210    HB2  ASP  26           HB2      ASP  26   8.032  17.532   0.293
  211    HB3  ASP  26           HB3      ASP  26   8.216  18.646  -1.068
  212    H    ALA  27           H        ALA  27   6.130  19.345  -2.655
  213    HA   ALA  27           HA       ALA  27   5.176  22.066  -2.080
  214    HB1  ALA  27           HB1      ALA  27   6.529  22.824  -3.989
  215    HB2  ALA  27           HB2      ALA  27   7.543  22.026  -2.775
  216    HB3  ALA  27           HB3      ALA  27   7.091  21.161  -4.264
  217    H    MET  28           H        MET  28   4.108  19.166  -3.382
  218    HA   MET  28           HA       MET  28   2.735  18.507  -4.987
  219    HB2  MET  28           HB2      MET  28   1.435  21.015  -4.067
  220    HB3  MET  28           HB3      MET  28   0.896  20.434  -5.641
  221    HG2  MET  28           HG2      MET  28   0.967  18.680  -3.187
  222    HG3  MET  28           HG3      MET  28  -0.434  19.593  -3.763
  223    HE1  MET  28           HE1      MET  28  -1.806  16.258  -4.925
  224    HE2  MET  28           HE2      MET  28  -1.118  16.767  -3.366
  225    HE3  MET  28           HE3      MET  28  -2.148  17.891  -4.285
  226    H    ASP  29           H        ASP  29   5.054  18.840  -5.899
  227    HA   ASP  29           HA       ASP  29   4.891  20.357  -8.443
  228    HB2  ASP  29           HB2      ASP  29   6.542  21.326  -6.761
  229    HB3  ASP  29           HB3      ASP  29   7.430  19.789  -6.881
  230    H    VAL  30           H        VAL  30   5.717  19.158 -10.271
  231    HA   VAL  30           HA       VAL  30   5.962  16.236  -9.676
  232    HB   VAL  30           HB       VAL  30   4.302  17.507 -11.848
  233   HG11  VAL  30          HG11      VAL  30   4.729  14.578 -11.152
  234   HG12  VAL  30          HG12      VAL  30   3.545  15.206 -12.324
  235   HG13  VAL  30          HG13      VAL  30   5.270  15.392 -12.641
  236   HG21  VAL  30          HG21      VAL  30   2.379  16.646 -10.723
  237   HG22  VAL  30          HG22      VAL  30   3.386  15.923  -9.443
  238   HG23  VAL  30          HG23      VAL  30   3.247  17.690  -9.604
  239    H    TRP  31           H        TRP  31   7.770  15.457 -10.266
  240    HA   TRP  31           HA       TRP  31   9.514  16.658 -12.257
  241    HB2  TRP  31           HB2      TRP  31   9.854  14.051 -10.750
  242    HB3  TRP  31           HB3      TRP  31  11.095  15.080 -11.427
  243    HD1  TRP  31           HD1      TRP  31   9.171  14.431  -8.259
  244    HE1  TRP  31           HE1      TRP  31   9.978  15.958  -6.395
  245    HE3  TRP  31           HE3      TRP  31  11.879  17.666 -11.030
  246    HZ2  TRP  31           HZ2      TRP  31  11.733  18.253  -6.099
  247    HZ3  TRP  31           HZ3      TRP  31  13.237  19.472  -9.947
  248    HH2  TRP  31           HH2      TRP  31  13.144  19.778  -7.478
  249    H    CYS  32           H        CYS  32   9.495  15.958 -14.412
  250    HA   CYS  32           HA       CYS  32   8.591  13.169 -14.974
  251    HB2  CYS  32           HB2      CYS  32   7.056  14.795 -15.959
  252    HB3  CYS  32           HB3      CYS  32   8.421  15.632 -16.755
  253    HG   CYS  32           HG       CYS  32   7.158  14.268 -18.575
  254    H    ASN  33           H        ASN  33  10.302  11.953 -15.459
  255    HA   ASN  33           HA       ASN  33  12.501  11.365 -15.574
  256    HB2  ASN  33           HB2      ASN  33  12.258  13.139 -18.027
  257    HB3  ASN  33           HB3      ASN  33  13.695  12.186 -17.671
  258   HD21  ASN  33          HD22      ASN  33  12.672  11.509 -20.012
  259   HD22  ASN  33          HD21      ASN  33  11.812   9.989 -19.903
  260    H    GLY  34           H        GLY  34  12.148  13.192 -13.579
  261    HA2  GLY  34           HA2      GLY  34  13.554  14.128 -12.046
  262    HA3  GLY  34           HA3      GLY  34  14.873  14.022 -13.215
  263    H    LYS  35           H        LYS  35  12.657  15.794 -14.932
  264    HA   LYS  35           HA       LYS  35  13.639  18.414 -13.847
  265    HB2  LYS  35           HB2      LYS  35  12.487  17.656 -16.570
  266    HB3  LYS  35           HB3      LYS  35  12.924  19.295 -16.067
  267    HG2  LYS  35           HG2      LYS  35  15.277  18.610 -15.774
  268    HG3  LYS  35           HG3      LYS  35  14.877  16.948 -16.241
  269    HD2  LYS  35           HD2      LYS  35  14.089  17.741 -18.444
  270    HD3  LYS  35           HD3      LYS  35  14.548  19.399 -18.032
  271    HE2  LYS  35           HE2      LYS  35  16.467  17.021 -18.160
  272    HE3  LYS  35           HE3      LYS  35  16.195  18.157 -19.477
  273    HZ1  LYS  35           HZ1      LYS  35  17.341  18.867 -16.831
  274    HZ2  LYS  35           HZ2      LYS  35  18.148  18.773 -18.246
  275    HZ3  LYS  35           HZ3      LYS  35  17.029  19.939 -18.037
  276    H    LYS  36           H        LYS  36  12.017  19.929 -13.085
  277    HA   LYS  36           HA       LYS  36   9.413  18.695 -12.721
  278    HB2  LYS  36           HB2      LYS  36   8.675  20.327 -11.407
  279    HB3  LYS  36           HB3      LYS  36  10.316  20.078 -10.892
  280    HG2  LYS  36           HG2      LYS  36   9.555  22.355 -12.787
  281    HG3  LYS  36           HG3      LYS  36   9.236  22.478 -11.080
  282    HD2  LYS  36           HD2      LYS  36  11.994  22.079 -12.297
  283    HD3  LYS  36           HD3      LYS  36  11.328  23.607 -11.736
  284    HE2  LYS  36           HE2      LYS  36  11.974  21.182 -10.011
  285    HE3  LYS  36           HE3      LYS  36  12.865  22.701 -10.080
  286    HZ1  LYS  36           HZ1      LYS  36  11.469  22.717  -8.164
  287    HZ2  LYS  36           HZ2      LYS  36  10.798  23.782  -9.202
  288    HZ3  LYS  36           HZ3      LYS  36  10.129  22.281  -8.982
  289    H    LEU  37           H        LEU  37   7.429  19.407 -13.547
  290    HA   LEU  37           HA       LEU  37   7.601  21.057 -15.988
  291    HB2  LEU  37           HB2      LEU  37   5.744  19.740 -16.967
  292    HB3  LEU  37           HB3      LEU  37   7.314  18.964 -16.861
  293    HG   LEU  37           HG       LEU  37   6.590  17.723 -14.888
  294   HD11  LEU  37          HD11      LEU  37   4.794  19.004 -13.916
  295   HD12  LEU  37          HD12      LEU  37   3.856  18.931 -15.426
  296   HD13  LEU  37          HD13      LEU  37   4.106  17.472 -14.444
  297   HD21  LEU  37          HD21      LEU  37   5.170  16.129 -16.115
  298   HD22  LEU  37          HD22      LEU  37   4.781  17.388 -17.317
  299   HD23  LEU  37          HD23      LEU  37   6.448  16.786 -17.160
  300    H    GLU  38           H        GLU  38   5.349  21.895 -16.580
  301    HA   GLU  38           HA       GLU  38   4.553  23.563 -14.386
  302    HB2  GLU  38           HB2      GLU  38   3.107  24.657 -16.008
  303    HB3  GLU  38           HB3      GLU  38   4.740  24.452 -16.649
  304    HG2  GLU  38           HG2      GLU  38   3.916  22.400 -17.910
  305    HG3  GLU  38           HG3      GLU  38   2.286  22.781 -17.361
  306    H    THR  39           H        THR  39   2.522  23.644 -13.371
  307    HA   THR  39           HA       THR  39   0.596  21.433 -13.799
  308    HB   THR  39           HB       THR  39   0.606  21.291 -11.192
  309    HG1  THR  39           HG1      THR  39   2.261  22.777 -10.734
  310   HG21  THR  39          HG21      THR  39   1.042  19.418 -12.713
  311   HG22  THR  39          HG22      THR  39   2.741  19.909 -12.861
  312   HG23  THR  39          HG23      THR  39   2.109  19.359 -11.295
  313    H    ALA  40           H        ALA  40  -1.476  21.868 -13.020
  314    HA   ALA  40           HA       ALA  40  -1.989  24.485 -11.709
  315    HB1  ALA  40           HB1      ALA  40  -3.629  23.299 -14.000
  316    HB2  ALA  40           HB2      ALA  40  -4.067  24.716 -13.015
  317    HB3  ALA  40           HB3      ALA  40  -2.644  24.780 -14.076
  318    H    GLY  41           H        GLY  41  -3.515  24.240 -10.022
  319    HA2  GLY  41           HA2      GLY  41  -4.119  21.397  -9.293
  320    HA3  GLY  41           HA3      GLY  41  -3.833  22.725  -8.157
  321    H    GLU  42           H        GLU  42  -6.159  21.169 -10.277
  322    HA   GLU  42           HA       GLU  42  -8.120  23.311  -9.938
  323    HB2  GLU  42           HB2      GLU  42  -7.864  22.168 -12.121
  324    HB3  GLU  42           HB3      GLU  42  -8.240  20.617 -11.344
  325    HG2  GLU  42           HG2      GLU  42 -10.115  21.473 -12.582
  326    HG3  GLU  42           HG3      GLU  42 -10.491  21.332 -10.865
  327    H    PHE  43           H        PHE  43 -10.095  22.898  -8.788
  328    HA   PHE  43           HA       PHE  43  -9.938  20.677  -6.786
  329    HB2  PHE  43           HB2      PHE  43 -11.063  23.466  -6.394
  330    HB3  PHE  43           HB3      PHE  43 -11.257  22.124  -5.275
  331    HD1  PHE  43           HD2      PHE  43  -9.151  21.030  -4.262
  332    HD2  PHE  43           HD1      PHE  43  -9.067  24.817  -6.330
  333    HE1  PHE  43           HE2      PHE  43  -6.992  21.574  -3.181
  334    HE2  PHE  43           HE1      PHE  43  -6.893  25.347  -5.260
  335    HZ   PHE  43           HZ       PHE  43  -5.856  23.735  -3.673
  336    H    VAL  44           H        VAL  44 -11.647  19.335  -6.703
  337    HA   VAL  44           HA       VAL  44 -14.050  19.929  -8.312
  338    HB   VAL  44           HB       VAL  44 -13.783  17.403  -8.887
  339   HG11  VAL  44          HG11      VAL  44 -13.792  19.208 -10.499
  340   HG12  VAL  44          HG12      VAL  44 -12.043  19.482 -10.249
  341   HG13  VAL  44          HG13      VAL  44 -12.619  17.953 -10.957
  342   HG21  VAL  44          HG21      VAL  44 -10.832  17.982  -8.512
  343   HG22  VAL  44          HG22      VAL  44 -11.836  16.966  -7.439
  344   HG23  VAL  44          HG23      VAL  44 -11.594  16.503  -9.132
  345    H    ASP  45           H        ASP  45 -15.736  18.279  -7.914
  346    HA   ASP  45           HA       ASP  45 -16.223  18.024  -5.064
  347    HB2  ASP  45           HB2      ASP  45 -17.988  18.779  -6.570
  348    HB3  ASP  45           HB3      ASP  45 -17.936  17.243  -7.440
  349    H    ASP  46           H        ASP  46 -14.092  16.688  -5.420
  350    HA   ASP  46           HA       ASP  46 -14.547  13.808  -5.109
  351    HB2  ASP  46           HB2      ASP  46 -14.514  13.970  -7.534
  352    HB3  ASP  46           HB3      ASP  46 -13.129  15.046  -7.511
  353    H    GLY  47           H        GLY  47 -12.312  16.627  -5.433
  354    HA2  GLY  47           HA2      GLY  47 -10.773  16.485  -3.229
  355    HA3  GLY  47           HA3      GLY  47 -10.084  15.212  -4.252
  356    H    THR  48           H        THR  48  -8.296  16.041  -5.272
  357    HA   THR  48           HA       THR  48  -8.539  18.698  -6.578
  358    HB   THR  48           HB       THR  48  -5.914  17.657  -5.552
  359    HG1  THR  48           HG1      THR  48  -7.230  17.792  -3.689
  360   HG21  THR  48          HG21      THR  48  -6.915  20.477  -6.054
  361   HG22  THR  48          HG22      THR  48  -5.297  20.043  -5.464
  362   HG23  THR  48          HG23      THR  48  -5.801  19.554  -7.086
  363    H    GLU  49           H        GLU  49  -7.439  18.799  -8.600
  364    HA   GLU  49           HA       GLU  49  -6.364  16.286  -9.667
  365    HB2  GLU  49           HB2      GLU  49  -8.478  18.008 -10.991
  366    HB3  GLU  49           HB3      GLU  49  -7.419  16.898 -11.896
  367    HG2  GLU  49           HG2      GLU  49  -8.147  15.013 -10.520
  368    HG3  GLU  49           HG3      GLU  49  -9.199  16.063  -9.569
  369    H    THR  50           H        THR  50  -4.269  16.784  -9.819
  370    HA   THR  50           HA       THR  50  -3.434  19.550 -10.465
  371    HB   THR  50           HB       THR  50  -1.884  17.072  -9.669
  372    HG1  THR  50           HG1      THR  50  -2.987  18.084  -7.959
  373   HG21  THR  50          HG21      THR  50  -0.884  19.849 -10.407
  374   HG22  THR  50          HG22      THR  50   0.058  18.669  -9.454
  375   HG23  THR  50          HG23      THR  50  -0.417  18.288 -11.113
  376    H    HIS  51           H        HIS  51  -3.749  19.965 -12.607
  377    HA   HIS  51           HA       HIS  51  -3.585  17.817 -14.612
  378    HB2  HIS  51           HB2      HIS  51  -4.407  20.745 -14.757
  379    HB3  HIS  51           HB3      HIS  51  -4.336  19.676 -16.152
  380    HD1  HIS  51           HD1      HIS  51  -6.237  17.752 -16.333
  381    HD2  HIS  51           HD2      HIS  51  -6.573  20.493 -13.146
  382    HE1  HIS  51           HE1      HIS  51  -8.575  17.459 -15.364
  383    H    PHE  52           H        PHE  52  -2.107  17.747 -16.304
  384    HA   PHE  52           HA       PHE  52  -0.392  19.950 -16.967
  385    HB2  PHE  52           HB2      PHE  52   1.754  18.742 -16.674
  386    HB3  PHE  52           HB3      PHE  52   0.976  19.160 -15.173
  387    HD1  PHE  52           HD2      PHE  52  -0.088  17.457 -13.728
  388    HD2  PHE  52           HD1      PHE  52   2.234  16.389 -17.215
  389    HE1  PHE  52           HE2      PHE  52   0.267  15.209 -12.793
  390    HE2  PHE  52           HE1      PHE  52   2.579  14.116 -16.241
  391    HZ   PHE  52           HZ       PHE  52   1.656  13.544 -14.032
  392    H    SER  53           H        SER  53   1.302  18.797 -18.754
  393    HA   SER  53           HA       SER  53  -0.030  16.681 -20.237
  394    HB2  SER  53           HB2      SER  53   0.538  19.356 -21.580
  395    HB3  SER  53           HB3      SER  53  -0.085  17.891 -22.360
  396    HG   SER  53           HG       SER  53  -1.730  19.475 -21.839
  397    H    ILE  54           H        ILE  54   1.395  15.676 -21.718
  398    HA   ILE  54           HA       ILE  54   4.251  16.508 -21.746
  399    HB   ILE  54           HB       ILE  54   3.102  13.774 -21.033
  400   HG12  ILE  54          HG12      ILE  54   5.199  15.338 -19.471
  401   HG13  ILE  54          HG13      ILE  54   3.495  15.645 -19.210
  402   HG21  ILE  54          HG21      ILE  54   6.010  14.519 -21.655
  403   HG22  ILE  54          HG22      ILE  54   5.484  12.963 -20.984
  404   HG23  ILE  54          HG23      ILE  54   4.978  13.429 -22.603
  405   HD11  ILE  54          HD11      ILE  54   3.050  13.364 -18.570
  406   HD12  ILE  54          HD12      ILE  54   4.756  12.926 -18.842
  407   HD13  ILE  54          HD13      ILE  54   4.322  14.103 -17.578
  408    H    GLY  55           H        GLY  55   4.494  16.953 -23.897
  409    HA2  GLY  55           HA2      GLY  55   4.196  16.890 -26.181
  410    HA3  GLY  55           HA3      GLY  55   3.853  15.156 -26.028
  411    H    ASN  56           H        ASN  56   1.947  14.820 -27.073
  412    HA   ASN  56           HA       ASN  56  -0.237  16.760 -27.020
  413    HB2  ASN  56           HB2      ASN  56   0.394  15.385 -29.030
  414    HB3  ASN  56           HB3      ASN  56  -0.110  13.937 -28.153
  415   HD21  ASN  56          HD22      ASN  56  -2.092  13.277 -29.022
  416   HD22  ASN  56          HD21      ASN  56  -3.414  14.361 -29.393
  417    H    HIS  57           H        HIS  57   0.756  14.390 -24.763
  418    HA   HIS  57           HA       HIS  57  -1.935  13.292 -24.267
  419    HB2  HIS  57           HB2      HIS  57   0.672  12.681 -22.830
  420    HB3  HIS  57           HB3      HIS  57  -0.822  11.757 -22.782
  421    HD1  HIS  57           HD1      HIS  57  -1.434  10.475 -25.255
  422    HD2  HIS  57           HD2      HIS  57   2.418  12.082 -24.666
  423    HE1  HIS  57           HE1      HIS  57   0.056   9.451 -27.046
  424    H    ASP  58           H        ASP  58  -3.276  14.334 -22.813
  425    HA   ASP  58           HA       ASP  58  -2.079  16.158 -20.824
  426    HB2  ASP  58           HB2      ASP  58  -4.043  17.094 -20.414
  427    HB3  ASP  58           HB3      ASP  58  -4.248  16.709 -22.119
  428    H    CYS  59           H        CYS  59  -2.334  15.866 -18.619
  429    HA   CYS  59           HA       CYS  59  -2.850  13.119 -17.640
  430    HB2  CYS  59           HB2      CYS  59  -0.472  14.763 -16.768
  431    HB3  CYS  59           HB3      CYS  59  -0.772  13.044 -16.521
  432    HG   CYS  59           HG       CYS  59  -0.164  14.696 -19.292
  433    H    TYR  60           H        TYR  60  -3.432  13.125 -15.333
  434    HA   TYR  60           HA       TYR  60  -3.024  15.611 -13.963
  435    HB2  TYR  60           HB2      TYR  60  -5.239  15.995 -13.167
  436    HB3  TYR  60           HB3      TYR  60  -5.210  16.031 -14.918
  437    HD1  TYR  60           HD1      TYR  60  -6.019  13.693 -12.072
  438    HD2  TYR  60           HD2      TYR  60  -6.844  14.873 -16.126
  439    HE1  TYR  60           HE1      TYR  60  -7.941  12.141 -12.128
  440    HE2  TYR  60           HE2      TYR  60  -8.904  13.489 -16.113
  441    HH   TYR  60           HH       TYR  60 -10.243  11.980 -14.873
  442    H    ILE  61           H        ILE  61  -2.719  15.320 -11.731
  443    HA   ILE  61           HA       ILE  61  -2.808  12.469 -10.849
  444    HB   ILE  61           HB       ILE  61  -1.615  14.898  -9.510
  445   HG12  ILE  61          HG12      ILE  61  -0.093  12.386 -10.265
  446   HG13  ILE  61          HG13      ILE  61  -0.482  13.526 -11.544
  447   HG21  ILE  61          HG21      ILE  61  -0.761  13.191  -7.833
  448   HG22  ILE  61          HG22      ILE  61  -2.502  13.464  -7.755
  449   HG23  ILE  61          HG23      ILE  61  -1.853  12.004  -8.548
  450   HD11  ILE  61          HD11      ILE  61   0.593  15.362 -10.312
  451   HD12  ILE  61          HD12      ILE  61   0.998  14.259  -8.990
  452   HD13  ILE  61          HD13      ILE  61   1.731  14.026 -10.596
  453    H    LYS  62           H        LYS  62  -4.677  11.824 -10.036
  454    HA   LYS  62           HA       LYS  62  -6.727  13.720  -9.047
  455    HB2  LYS  62           HB2      LYS  62  -6.873  11.271 -10.357
  456    HB3  LYS  62           HB3      LYS  62  -6.979  10.739  -8.689
  457    HG2  LYS  62           HG2      LYS  62  -8.940  12.219  -8.348
  458    HG3  LYS  62           HG3      LYS  62  -8.779  12.831  -9.997
  459    HD2  LYS  62           HD2      LYS  62  -9.125  10.489 -10.889
  460    HD3  LYS  62           HD3      LYS  62  -9.298   9.922  -9.225
  461    HE2  LYS  62           HE2      LYS  62 -11.505  10.134  -9.982
  462    HE3  LYS  62           HE3      LYS  62 -11.238  11.548  -8.961
  463    HZ1  LYS  62           HZ1      LYS  62 -10.956  12.889 -10.996
  464    HZ2  LYS  62           HZ2      LYS  62 -11.109  11.554 -11.944
  465    HZ3  LYS  62           HZ3      LYS  62 -12.373  12.083 -11.056
  466    H    ALA  63           H        ALA  63  -6.706  14.266  -6.935
  467    HA   ALA  63           HA       ALA  63  -5.235  12.553  -5.013
  468    HB1  ALA  63           HB1      ALA  63  -5.442  15.589  -5.041
  469    HB2  ALA  63           HB2      ALA  63  -4.606  14.593  -3.831
  470    HB3  ALA  63           HB3      ALA  63  -3.991  14.649  -5.487
  471    H    VAL  64           H        VAL  64  -7.108  11.474  -4.501
  472    HA   VAL  64           HA       VAL  64  -9.651  12.851  -4.343
  473    HB   VAL  64           HB       VAL  64  -9.235   9.928  -3.583
  474   HG11  VAL  64          HG11      VAL  64 -11.455  11.387  -5.059
  475   HG12  VAL  64          HG12      VAL  64 -11.457   9.678  -4.581
  476   HG13  VAL  64          HG13      VAL  64 -11.466  10.936  -3.341
  477   HG21  VAL  64          HG21      VAL  64  -9.302  10.965  -6.448
  478   HG22  VAL  64          HG22      VAL  64  -7.971  10.069  -5.655
  479   HG23  VAL  64          HG23      VAL  64  -9.506   9.267  -5.965
  480    H    SER  65           H        SER  65 -10.427  13.692  -2.379
  481    HA   SER  65           HA       SER  65  -9.111  13.031   0.120
  482    HB2  SER  65           HB2      SER  65 -11.570  14.751  -0.314
  483    HB3  SER  65           HB3      SER  65 -10.444  14.757   1.063
  484    HG   SER  65           HG       SER  65  -9.970  16.470  -0.383
  485    H    SER  66           H        SER  66  -9.771  10.662  -0.575
  486    HA   SER  66           HA       SER  66 -12.462   9.805  -0.122
  487    HB2  SER  66           HB2      SER  66  -9.812   8.311  -0.229
  488    HB3  SER  66           HB3      SER  66 -11.419   7.545  -0.244
  489    HG   SER  66           HG       SER  66 -10.783   7.783  -2.356
  490    H    GLY  67           H        GLY  67  -9.640  10.170   2.051
  491    HA2  GLY  67           HA2      GLY  67 -10.664   8.677   4.257
  492    HA3  GLY  67           HA3      GLY  67  -9.477   9.989   4.329
  493    H    LYS  68           H        LYS  68 -11.933   9.312   6.019
  494    HA   LYS  68           HA       LYS  68 -13.789  11.501   5.581
  495    HB2  LYS  68           HB2      LYS  68 -14.361   9.302   6.606
  496    HB3  LYS  68           HB3      LYS  68 -13.411   9.738   8.041
  497    HG2  LYS  68           HG2      LYS  68 -14.897  11.647   8.478
  498    HG3  LYS  68           HG3      LYS  68 -15.798  11.332   6.989
  499    HD2  LYS  68           HD2      LYS  68 -15.610   9.419   9.360
  500    HD3  LYS  68           HD3      LYS  68 -16.932  10.563   9.080
  501    HE2  LYS  68           HE2      LYS  68 -17.421   9.454   6.889
  502    HE3  LYS  68           HE3      LYS  68 -16.149   8.267   7.220
  503    HZ1  LYS  68           HZ1      LYS  68 -18.587   8.651   8.867
  504    HZ2  LYS  68           HZ2      LYS  68 -18.322   7.417   7.831
  505    HZ3  LYS  68           HZ3      LYS  68 -17.410   7.553   9.179
  506    H    ARG  69           H        ARG  69 -10.815  11.089   7.409
  507    HA   ARG  69           HA       ARG  69 -11.086  13.531   8.992
  508    HB2  ARG  69           HB2      ARG  69  -8.811  11.577   8.410
  509    HB3  ARG  69           HB3      ARG  69  -8.511  13.090   9.230
  510    HG2  ARG  69           HG2      ARG  69  -8.729  11.411  10.903
  511    HG3  ARG  69           HG3      ARG  69 -10.063  12.544  11.028
  512    HD2  ARG  69           HD2      ARG  69 -10.826  10.298  11.454
  513    HD3  ARG  69           HD3      ARG  69 -11.587  10.899   9.977
  514    HE   ARG  69           HE       ARG  69  -9.180   9.477   9.326
  515   HH11  ARG  69          HH21      ARG  69 -12.393   8.752  10.649
  516   HH12  ARG  69          HH22      ARG  69 -12.424   7.125  10.062
  517   HH21  ARG  69          HH11      ARG  69  -9.231   7.333   8.505
  518   HH22  ARG  69          HH12      ARG  69 -10.585   6.307   8.812
  519    H    LYS  70           H        LYS  70  -9.213  15.200   8.688
  520    HA   LYS  70           HA       LYS  70  -9.375  16.337   6.047
  521    HB2  LYS  70           HB2      LYS  70  -7.868  18.085   6.969
  522    HB3  LYS  70           HB3      LYS  70  -9.324  17.808   7.890
  523    HG2  LYS  70           HG2      LYS  70  -7.470  18.230   9.347
  524    HG3  LYS  70           HG3      LYS  70  -8.084  16.608   9.626
  525    HD2  LYS  70           HD2      LYS  70  -6.164  15.598   8.535
  526    HD3  LYS  70           HD3      LYS  70  -5.612  17.185   7.934
  527    HE2  LYS  70           HE2      LYS  70  -5.362  17.959  10.309
  528    HE3  LYS  70           HE3      LYS  70  -5.841  16.355  10.872
  529    HZ1  LYS  70           HZ1      LYS  70  -3.860  15.439   9.806
  530    HZ2  LYS  70           HZ2      LYS  70  -3.424  16.925   9.239
  531    HZ3  LYS  70           HZ3      LYS  70  -3.439  16.628  10.842
  532    H    GLU  71           H        GLU  71  -7.722  13.649   6.716
  533    HA   GLU  71           HA       GLU  71  -5.671  14.148   4.751
  534    HB2  GLU  71           HB2      GLU  71  -3.876  13.166   6.014
  535    HB3  GLU  71           HB3      GLU  71  -4.508  14.582   6.864
  536    HG2  GLU  71           HG2      GLU  71  -5.897  13.071   8.268
  537    HG3  GLU  71           HG3      GLU  71  -5.195  11.685   7.436
  538    H    GLY  72           H        GLY  72  -4.599  11.771   4.358
  539    HA2  GLY  72           HA2      GLY  72  -5.058   9.543   3.791
  540    HA3  GLY  72           HA3      GLY  72  -6.719   9.707   4.386
  541    H    ILE  73           H        ILE  73  -4.761  11.599   2.018
  542    HA   ILE  73           HA       ILE  73  -7.006  11.658   0.123
  543    HB   ILE  73           HB       ILE  73  -4.346  13.116   0.277
  544   HG12  ILE  73          HG12      ILE  73  -5.632  15.147   0.523
  545   HG13  ILE  73          HG13      ILE  73  -7.166  14.289   0.346
  546   HG21  ILE  73          HG21      ILE  73  -5.106  14.432  -1.664
  547   HG22  ILE  73          HG22      ILE  73  -4.911  12.731  -2.109
  548   HG23  ILE  73          HG23      ILE  73  -6.536  13.398  -1.824
  549   HD11  ILE  73          HD11      ILE  73  -5.254  13.920   2.635
  550   HD12  ILE  73          HD12      ILE  73  -6.606  15.083   2.625
  551   HD13  ILE  73          HD13      ILE  73  -6.960  13.355   2.524
  552    H    ILE  74           H        ILE  74  -6.970  10.276  -1.698
  553    HA   ILE  74           HA       ILE  74  -4.740   8.336  -1.884
  554    HB   ILE  74           HB       ILE  74  -7.472   8.429  -3.199
  555   HG12  ILE  74          HG12      ILE  74  -7.633   8.020  -0.802
  556   HG13  ILE  74          HG13      ILE  74  -8.087   6.596  -1.727
  557   HG21  ILE  74          HG21      ILE  74  -7.001   6.065  -3.865
  558   HG22  ILE  74          HG22      ILE  74  -5.982   7.246  -4.692
  559   HG23  ILE  74          HG23      ILE  74  -5.313   6.286  -3.356
  560   HD11  ILE  74          HD11      ILE  74  -5.872   5.564  -1.192
  561   HD12  ILE  74          HD12      ILE  74  -5.453   7.007  -0.236
  562   HD13  ILE  74          HD13      ILE  74  -6.803   5.978   0.251
  563    H    HIS  75           H        HIS  75  -3.135   8.723  -3.369
  564    HA   HIS  75           HA       HIS  75  -3.625  10.820  -5.426
  565    HB2  HIS  75           HB2      HIS  75  -1.089   9.766  -4.149
  566    HB3  HIS  75           HB3      HIS  75  -1.101  10.771  -5.593
  567    HD1  HIS  75           HD1      HIS  75  -2.226  11.087  -1.863
  568    HD2  HIS  75           HD2      HIS  75  -1.347  13.344  -5.312
  569    HE1  HIS  75           HE1      HIS  75  -2.132  13.529  -1.140
  570    H    THR  76           H        THR  76  -3.893  10.171  -7.480
  571    HA   THR  76           HA       THR  76  -2.532   7.714  -8.423
  572    HB   THR  76           HB       THR  76  -5.360   8.417  -9.303
  573    HG1  THR  76           HG1      THR  76  -6.146   6.930  -7.792
  574   HG21  THR  76          HG21      THR  76  -5.330   5.949  -9.837
  575   HG22  THR  76          HG22      THR  76  -4.213   6.959 -10.794
  576   HG23  THR  76          HG23      THR  76  -3.597   5.939  -9.472
  577    H    LEU  77           H        LEU  77  -1.750   7.924 -10.592
  578    HA   LEU  77           HA       LEU  77  -2.052  10.613 -11.795
  579    HB2  LEU  77           HB2      LEU  77   0.210   9.749 -11.704
  580    HB3  LEU  77           HB3      LEU  77  -0.299   8.228 -12.445
  581    HG   LEU  77           HG       LEU  77  -0.905   9.484 -14.528
  582   HD11  LEU  77          HD11      LEU  77   0.399  11.820 -13.060
  583   HD12  LEU  77          HD12      LEU  77   0.047  11.779 -14.805
  584   HD13  LEU  77          HD13      LEU  77  -1.282  11.743 -13.650
  585   HD21  LEU  77          HD21      LEU  77   1.434   9.866 -15.224
  586   HD22  LEU  77          HD22      LEU  77   1.955   9.779 -13.528
  587   HD23  LEU  77          HD23      LEU  77   1.246   8.356 -14.326
  588    H    ILE  78           H        ILE  78  -3.477  10.922 -13.424
  589    HA   ILE  78           HA       ILE  78  -4.548   8.586 -14.856
  590    HB   ILE  78           HB       ILE  78  -5.783  11.163 -13.930
  591   HG12  ILE  78          HG12      ILE  78  -7.774   9.772 -13.553
  592   HG13  ILE  78          HG13      ILE  78  -6.956   8.364 -14.229
  593   HG21  ILE  78          HG21      ILE  78  -6.548   9.769 -16.498
  594   HG22  ILE  78          HG22      ILE  78  -7.661  10.798 -15.586
  595   HG23  ILE  78          HG23      ILE  78  -6.161  11.500 -16.206
  596   HD11  ILE  78          HD11      ILE  78  -5.919   9.879 -11.813
  597   HD12  ILE  78          HD12      ILE  78  -7.098   8.540 -11.697
  598   HD13  ILE  78          HD13      ILE  78  -5.494   8.229 -12.362
  599    H    VAL  79           H        VAL  79  -4.317   8.742 -17.181
  600    HA   VAL  79           HA       VAL  79  -3.271  11.213 -18.337
  601    HB   VAL  79           HB       VAL  79  -2.026   8.495 -18.816
  602   HG11  VAL  79          HG11      VAL  79  -0.354   9.754 -20.175
  603   HG12  VAL  79          HG12      VAL  79  -1.973   9.861 -20.858
  604   HG13  VAL  79          HG13      VAL  79  -1.308  11.237 -19.949
  605   HG21  VAL  79          HG21      VAL  79  -0.994  10.925 -17.312
  606   HG22  VAL  79          HG22      VAL  79  -1.285   9.289 -16.683
  607   HG23  VAL  79          HG23      VAL  79   0.028   9.586 -17.839
  608    H    ASP  80           H        ASP  80  -4.283  11.629 -20.285
  609    HA   ASP  80           HA       ASP  80  -6.013  11.531 -21.722
  610    HB2  ASP  80           HB2      ASP  80  -4.272  10.252 -22.906
  611    HB3  ASP  80           HB3      ASP  80  -4.940   8.750 -22.259
  612    H    ASN  81           H        ASN  81  -6.803  11.041 -19.125
  613    HA   ASN  81           HA       ASN  81  -8.455  10.410 -17.808
  614    HB2  ASN  81           HB2      ASN  81  -9.818  11.271 -19.745
  615    HB3  ASN  81           HB3      ASN  81 -10.091   9.587 -20.196
  616   HD21  ASN  81          HD22      ASN  81 -12.357   9.521 -19.733
  617   HD22  ASN  81          HD21      ASN  81 -12.998   9.764 -18.125
  618    H    ARG  82           H        ARG  82  -6.529   8.127 -19.028
  619    HA   ARG  82           HA       ARG  82  -7.976   5.833 -17.873
  620    HB2  ARG  82           HB2      ARG  82  -5.428   6.118 -19.547
  621    HB3  ARG  82           HB3      ARG  82  -5.802   4.660 -18.636
  622    HG2  ARG  82           HG2      ARG  82  -6.604   4.235 -20.763
  623    HG3  ARG  82           HG3      ARG  82  -8.020   4.585 -19.741
  624    HD2  ARG  82           HD2      ARG  82  -8.280   6.759 -20.732
  625    HD3  ARG  82           HD3      ARG  82  -6.760   6.589 -21.647
  626    HE   ARG  82           HE       ARG  82  -8.357   4.441 -22.410
  627   HH11  ARG  82          HH11      ARG  82  -8.568   7.983 -22.550
  628   HH12  ARG  82          HH12      ARG  82  -9.645   8.014 -23.909
  629   HH21  ARG  82          HH21      ARG  82  -9.762   4.467 -24.248
  630   HH22  ARG  82          HH22      ARG  82 -10.325   5.960 -24.907
  631    H    GLU  83           H        GLU  83  -6.990   4.652 -16.187
  632    HA   GLU  83           HA       GLU  83  -5.628   6.433 -14.311
  633    HB2  GLU  83           HB2      GLU  83  -7.681   5.432 -13.598
  634    HB3  GLU  83           HB3      GLU  83  -7.082   3.793 -13.951
  635    HG2  GLU  83           HG2      GLU  83  -5.342   4.081 -12.196
  636    HG3  GLU  83           HG3      GLU  83  -5.937   5.725 -11.922
  637    H    ILE  84           H        ILE  84  -3.575   6.121 -13.547
  638    HA   ILE  84           HA       ILE  84  -1.976   3.874 -14.639
  639    HB   ILE  84           HB       ILE  84  -1.082   6.708 -13.986
  640   HG12  ILE  84          HG12      ILE  84  -2.534   6.925 -15.878
  641   HG13  ILE  84          HG13      ILE  84  -0.862   7.146 -16.334
  642   HG21  ILE  84          HG21      ILE  84   0.388   4.450 -15.383
  643   HG22  ILE  84          HG22      ILE  84   0.975   6.110 -15.175
  644   HG23  ILE  84          HG23      ILE  84   0.714   5.092 -13.761
  645   HD11  ILE  84          HD11      ILE  84  -0.790   4.903 -17.355
  646   HD12  ILE  84          HD12      ILE  84  -2.464   4.608 -16.830
  647   HD13  ILE  84          HD13      ILE  84  -2.118   5.871 -18.021
  648    HA   PRO  85           HA       PRO  85  -1.695   3.316 -10.112
  649    HB2  PRO  85           HB2      PRO  85  -0.597   0.814 -10.050
  650    HB3  PRO  85           HB3      PRO  85  -2.315   1.102 -10.461
  651    HG2  PRO  85           HG2      PRO  85   0.015   0.699 -12.366
  652    HG3  PRO  85           HG3      PRO  85  -1.591  -0.095 -12.398
  653    HD2  PRO  85           HD2      PRO  85  -0.988   2.085 -13.939
  654    HD3  PRO  85           HD3      PRO  85  -2.633   1.840 -13.259
  655    H    GLU  86           H        GLU  86   0.071   3.385  -8.571
  656    HA   GLU  86           HA       GLU  86   2.494   4.584  -9.543
  657    HB2  GLU  86           HB2      GLU  86   3.058   5.014  -7.438
  658    HB3  GLU  86           HB3      GLU  86   1.306   4.987  -7.316
  659    HG2  GLU  86           HG2      GLU  86   1.432   2.675  -6.393
  660    HG3  GLU  86           HG3      GLU  86   3.203   2.739  -6.524
  661    H    ILE  87           H        ILE  87   4.676   3.695  -8.976
  662    HA   ILE  87           HA       ILE  87   5.057   1.275 -10.391
  663    HB   ILE  87           HB       ILE  87   7.443   1.526  -9.654
  664   HG12  ILE  87          HG12      ILE  87   6.590   4.073  -8.291
  665   HG13  ILE  87          HG13      ILE  87   6.917   2.579  -7.422
  666   HG21  ILE  87          HG21      ILE  87   7.851   3.466 -11.051
  667   HG22  ILE  87          HG22      ILE  87   6.511   2.526 -11.709
  668   HG23  ILE  87          HG23      ILE  87   6.183   4.031 -10.822
  669   HD11  ILE  87          HD11      ILE  87   8.892   4.000  -7.368
  670   HD12  ILE  87          HD12      ILE  87   9.220   2.511  -8.268
  671   HD13  ILE  87          HD13      ILE  87   8.964   4.035  -9.140
  672    H    ALA  88           H        ALA  88   6.004  -0.693  -9.782
  673    HA   ALA  88           HA       ALA  88   5.606  -1.537  -6.972
  674    HB1  ALA  88           HB1      ALA  88   4.857  -3.098  -9.466
  675    HB2  ALA  88           HB2      ALA  88   4.635  -3.636  -7.784
  676    HB3  ALA  88           HB3      ALA  88   3.698  -2.257  -8.402
  677    H    SER  89           H        SER  89   7.937  -0.669  -8.424
  678    HA   SER  89           HA       SER  89   9.682  -2.793  -9.156
  679    HB2  SER  89           HB2      SER  89  10.492  -0.112  -7.969
  680    HB3  SER  89           HB3      SER  89  11.429  -1.140  -9.063
  681    HG   SER  89           HG       SER  89  10.464   0.546 -10.259
  Start of MODEL    2
    1    H1   GLU   1           H1       GLU   1  20.155  16.501   7.829
    2    H2   GLU   1           H2       GLU   1  19.794  17.339   6.475
    3    H3   GLU   1           H3       GLU   1  20.438  18.117   7.773
    4    HA   GLU   1           HA       GLU   1  18.481  17.662   9.090
    5    HB2  GLU   1           HB2      GLU   1  18.622  19.766   7.772
    6    HB3  GLU   1           HB3      GLU   1  17.807  18.985   6.421
    7    HG2  GLU   1           HG2      GLU   1  15.791  18.643   7.821
    8    HG3  GLU   1           HG3      GLU   1  16.622  19.341   9.214
    9    H    ASP   2           H        ASP   2  16.722  16.300   9.459
   10    HA   ASP   2           HA       ASP   2  16.215  14.157   7.514
   11    HB2  ASP   2           HB2      ASP   2  16.369  13.593   9.887
   12    HB3  ASP   2           HB3      ASP   2  15.072  14.736  10.261
   13    H    ARG   3           H        ARG   3  14.405  13.992   6.232
   14    HA   ARG   3           HA       ARG   3  12.110  15.769   6.703
   15    HB2  ARG   3           HB2      ARG   3  13.628  15.567   4.062
   16    HB3  ARG   3           HB3      ARG   3  11.966  16.140   4.155
   17    HG2  ARG   3           HG2      ARG   3  14.249  17.443   5.686
   18    HG3  ARG   3           HG3      ARG   3  13.741  17.937   4.066
   19    HD2  ARG   3           HD2      ARG   3  11.500  18.478   4.876
   20    HD3  ARG   3           HD3      ARG   3  11.927  17.944   6.518
   21    HE   ARG   3           HE       ARG   3  13.853  19.794   6.036
   22   HH11  ARG   3          HH11      ARG   3  10.296  20.034   5.810
   23   HH12  ARG   3          HH12      ARG   3  10.280  21.727   6.161
   24   HH21  ARG   3          HH21      ARG   3  13.839  21.875   6.516
   25   HH22  ARG   3          HH22      ARG   3  12.377  22.850   6.579
   26    H    SER   4           H        SER   4  10.135  14.866   5.841
   27    HA   SER   4           HA       SER   4  10.029  11.994   5.787
   28    HB2  SER   4           HB2      SER   4   7.599  12.567   5.110
   29    HB3  SER   4           HB3      SER   4   8.171  13.102   6.697
   30    HG   SER   4           HG       SER   4   7.077  14.791   5.596
   31    H    LYS   5           H        LYS   5   9.669  14.562   3.319
   32    HA   LYS   5           HA       LYS   5   9.819  14.596   1.065
   33    HB2  LYS   5           HB2      LYS   5  12.180  14.027   1.959
   34    HB3  LYS   5           HB3      LYS   5  11.899  12.410   1.305
   35    HG2  LYS   5           HG2      LYS   5  11.555  13.450  -0.965
   36    HG3  LYS   5           HG3      LYS   5  11.784  15.046  -0.248
   37    HD2  LYS   5           HD2      LYS   5  13.818  14.390  -1.349
   38    HD3  LYS   5           HD3      LYS   5  14.103  14.420   0.399
   39    HE2  LYS   5           HE2      LYS   5  13.859  11.951   0.483
   40    HE3  LYS   5           HE3      LYS   5  13.501  11.915  -1.249
   41    HZ1  LYS   5           HZ1      LYS   5  15.747  12.757  -1.669
   42    HZ2  LYS   5           HZ2      LYS   5  16.084  12.788  -0.066
   43    HZ3  LYS   5           HZ3      LYS   5  15.813  11.368  -0.818
   44    H    THR   6           H        THR   6   7.649  13.019   1.964
   45    HA   THR   6           HA       THR   6   7.611  10.445   0.757
   46    HB   THR   6           HB       THR   6   5.067  11.885   1.383
   47    HG1  THR   6           HG1      THR   6   5.436  11.757   3.583
   48   HG21  THR   6          HG21      THR   6   5.266   9.403   0.807
   49   HG22  THR   6          HG22      THR   6   6.187   9.193   2.305
   50   HG23  THR   6          HG23      THR   6   4.498   9.742   2.378
   51    H    THR   7           H        THR   7   7.291   9.857  -1.313
   52    HA   THR   7           HA       THR   7   5.909  11.716  -3.164
   53    HB   THR   7           HB       THR   7   7.817  10.932  -4.776
   54    HG1  THR   7           HG1      THR   7   9.758  10.461  -3.795
   55   HG21  THR   7          HG21      THR   7   9.310  12.859  -3.898
   56   HG22  THR   7          HG22      THR   7   7.648  13.228  -4.357
   57   HG23  THR   7          HG23      THR   7   8.064  13.093  -2.650
   58    H    ASN   8           H        ASN   8   5.145  10.764  -5.086
   59    HA   ASN   8           HA       ASN   8   4.962   7.770  -5.226
   60    HB2  ASN   8           HB2      ASN   8   2.765   8.922  -4.532
   61    HB3  ASN   8           HB3      ASN   8   2.777   9.657  -6.153
   62   HD21  ASN   8          HD22      ASN   8   0.724   7.810  -5.170
   63   HD22  ASN   8          HD21      ASN   8   0.832   6.386  -6.163
   64    H    THR   9           H        THR   9   5.396   7.043  -7.293
   65    HA   THR   9           HA       THR   9   6.303   9.096  -9.210
   66    HB   THR   9           HB       THR   9   7.995   6.744  -8.324
   67    HG1  THR   9           HG1      THR   9   9.274   8.233  -7.375
   68   HG21  THR   9          HG21      THR   9   8.470   8.787 -10.526
   69   HG22  THR   9          HG22      THR   9   9.741   7.759  -9.826
   70   HG23  THR   9          HG23      THR   9   8.368   7.039 -10.687
   71    H    TRP  10           H        TRP  10   6.070   8.567 -11.297
   72    HA   TRP  10           HA       TRP  10   5.069   5.882 -12.080
   73    HB2  TRP  10           HB2      TRP  10   3.866   8.564 -12.907
   74    HB3  TRP  10           HB3      TRP  10   3.361   6.982 -13.481
   75    HD1  TRP  10           HD1      TRP  10   1.966   5.488 -11.786
   76    HE1  TRP  10           HE1      TRP  10   0.515   6.018  -9.756
   77    HE3  TRP  10           HE3      TRP  10   3.720  10.151 -10.842
   78    HZ2  TRP  10           HZ2      TRP  10  -0.042   8.379  -8.111
   79    HZ3  TRP  10           HZ3      TRP  10   2.645  11.587  -9.155
   80    HH2  TRP  10           HH2      TRP  10   0.742  10.724  -7.781
   81    H    VAL  11           H        VAL  11   5.479   5.535 -14.366
   82    HA   VAL  11           HA       VAL  11   7.147   7.549 -15.689
   83    HB   VAL  11           HB       VAL  11   8.597   5.750 -14.931
   84   HG11  VAL  11          HG11      VAL  11   8.497   3.485 -15.832
   85   HG12  VAL  11          HG12      VAL  11   7.011   3.852 -14.936
   86   HG13  VAL  11          HG13      VAL  11   7.003   3.867 -16.710
   87   HG21  VAL  11          HG21      VAL  11   9.736   5.306 -17.066
   88   HG22  VAL  11          HG22      VAL  11   8.278   5.766 -17.969
   89   HG23  VAL  11          HG23      VAL  11   9.153   6.978 -17.012
   90    H    LEU  12           H        LEU  12   6.582   8.019 -17.788
   91    HA   LEU  12           HA       LEU  12   4.370   6.461 -19.006
   92    HB2  LEU  12           HB2      LEU  12   4.265   9.122 -18.010
   93    HB3  LEU  12           HB3      LEU  12   4.567   9.329 -19.726
   94    HG   LEU  12           HG       LEU  12   2.208   9.408 -19.261
   95   HD11  LEU  12          HD11      LEU  12   1.383   7.821 -20.877
   96   HD12  LEU  12          HD12      LEU  12   2.988   8.372 -21.396
   97   HD13  LEU  12          HD13      LEU  12   2.790   6.764 -20.661
   98   HD21  LEU  12          HD21      LEU  12   2.472   6.575 -18.129
   99   HD22  LEU  12          HD22      LEU  12   2.221   8.050 -17.192
  100   HD23  LEU  12          HD23      LEU  12   0.973   7.490 -18.339
  101    H    HIS  13           H        HIS  13   4.897   5.691 -20.973
  102    HA   HIS  13           HA       HIS  13   7.267   6.712 -22.345
  103    HB2  HIS  13           HB2      HIS  13   6.920   4.273 -22.282
  104    HB3  HIS  13           HB3      HIS  13   5.335   4.461 -23.025
  105    HD1  HIS  13           HD1      HIS  13   8.463   6.279 -24.434
  106    HD2  HIS  13           HD2      HIS  13   5.862   3.047 -25.188
  107    HE1  HIS  13           HE1      HIS  13   9.038   5.419 -26.759
  108    H    MET  14           H        MET  14   7.042   8.360 -23.835
  109    HA   MET  14           HA       MET  14   4.596   8.795 -25.321
  110    HB2  MET  14           HB2      MET  14   3.996   9.762 -23.144
  111    HB3  MET  14           HB3      MET  14   5.503  10.679 -23.100
  112    HG2  MET  14           HG2      MET  14   4.711  11.948 -25.120
  113    HG3  MET  14           HG3      MET  14   3.174  11.077 -25.012
  114    HE1  MET  14           HE1      MET  14   1.496  11.303 -22.986
  115    HE2  MET  14           HE2      MET  14   2.701  11.048 -21.703
  116    HE3  MET  14           HE3      MET  14   1.650  12.477 -21.662
  117    H    ASP  15           H        ASP  15   5.050   9.985 -27.160
  118    HA   ASP  15           HA       ASP  15   6.279  10.813 -28.836
  119    HB2  ASP  15           HB2      ASP  15   5.772  12.782 -27.430
  120    HB3  ASP  15           HB3      ASP  15   7.361  12.637 -26.682
  121    H    GLY  16           H        GLY  16   7.430   8.470 -27.871
  122    HA2  GLY  16           HA2      GLY  16   9.252   7.203 -28.435
  123    HA3  GLY  16           HA3      GLY  16  10.010   8.635 -29.132
  124    H    GLU  17           H        GLU  17   9.125   9.235 -25.873
  125    HA   GLU  17           HA       GLU  17  11.754   8.465 -24.806
  126    HB2  GLU  17           HB2      GLU  17  10.230  11.089 -24.603
  127    HB3  GLU  17           HB3      GLU  17  11.417  10.620 -23.381
  128    HG2  GLU  17           HG2      GLU  17  13.130  10.331 -25.162
  129    HG3  GLU  17           HG3      GLU  17  11.979  10.928 -26.358
  130    H    ASN  18           H        ASN  18  11.591   8.697 -22.272
  131    HA   ASN  18           HA       ASN  18   8.985   7.740 -21.288
  132    HB2  ASN  18           HB2      ASN  18  11.694   6.505 -20.758
  133    HB3  ASN  18           HB3      ASN  18  10.478   6.535 -19.486
  134   HD21  ASN  18          HD22      ASN  18  11.105   5.289 -22.792
  135   HD22  ASN  18          HD21      ASN  18   9.863   4.062 -22.727
  136    H    PHE  19           H        PHE  19   8.201   9.147 -19.892
  137    HA   PHE  19           HA       PHE  19  10.092  11.109 -18.631
  138    HB2  PHE  19           HB2      PHE  19   7.091  11.333 -19.063
  139    HB3  PHE  19           HB3      PHE  19   8.161  12.584 -18.465
  140    HD1  PHE  19           HD1      PHE  19  10.445  12.580 -20.340
  141    HD2  PHE  19           HD2      PHE  19   6.242  12.013 -21.131
  142    HE1  PHE  19           HE1      PHE  19  10.766  13.412 -22.648
  143    HE2  PHE  19           HE2      PHE  19   6.573  12.872 -23.434
  144    HZ   PHE  19           HZ       PHE  19   8.837  13.552 -24.204
  145    H    ARG  20           H        ARG  20  10.410  10.931 -16.454
  146    HA   ARG  20           HA       ARG  20   8.676   9.195 -14.872
  147    HB2  ARG  20           HB2      ARG  20  11.375  10.155 -14.582
  148    HB3  ARG  20           HB3      ARG  20  10.454  10.863 -13.267
  149    HG2  ARG  20           HG2      ARG  20  11.242   8.866 -12.353
  150    HG3  ARG  20           HG3      ARG  20   9.565   8.519 -12.757
  151    HD2  ARG  20           HD2      ARG  20  10.871   6.624 -13.401
  152    HD3  ARG  20           HD3      ARG  20  10.390   7.442 -14.905
  153    HE   ARG  20           HE       ARG  20  12.890   8.493 -14.152
  154   HH11  ARG  20          HH11      ARG  20  11.686   5.261 -15.049
  155   HH12  ARG  20          HH12      ARG  20  13.176   4.769 -15.771
  156   HH21  ARG  20          HH21      ARG  20  14.855   7.828 -15.124
  157   HH22  ARG  20          HH22      ARG  20  15.011   6.248 -15.797
  158    H    ILE  21           H        ILE  21   7.138   9.941 -13.423
  159    HA   ILE  21           HA       ILE  21   6.682  12.844 -13.228
  160    HB   ILE  21           HB       ILE  21   4.656  10.603 -13.007
  161   HG12  ILE  21          HG12      ILE  21   5.310  11.030 -15.315
  162   HG13  ILE  21          HG13      ILE  21   3.622  11.421 -15.005
  163   HG21  ILE  21          HG21      ILE  21   2.960  12.372 -12.739
  164   HG22  ILE  21          HG22      ILE  21   4.115  12.411 -11.402
  165   HG23  ILE  21          HG23      ILE  21   4.246  13.610 -12.715
  166   HD11  ILE  21          HD11      ILE  21   4.759  13.022 -16.501
  167   HD12  ILE  21          HD12      ILE  21   4.153  13.823 -15.035
  168   HD13  ILE  21          HD13      ILE  21   5.884  13.442 -15.214
  169    H    VAL  22           H        VAL  22   7.012  13.478 -11.027
  170    HA   VAL  22           HA       VAL  22   6.645  11.403  -8.988
  171    HB   VAL  22           HB       VAL  22   8.853  13.488  -8.942
  172   HG11  VAL  22          HG11      VAL  22   7.955  12.945  -6.695
  173   HG12  VAL  22          HG12      VAL  22   8.164  11.208  -7.035
  174   HG13  VAL  22          HG13      VAL  22   9.579  12.274  -6.895
  175   HG21  VAL  22          HG21      VAL  22   9.429  11.709 -10.540
  176   HG22  VAL  22          HG22      VAL  22  10.428  11.609  -9.087
  177   HG23  VAL  22          HG23      VAL  22   9.075  10.486  -9.297
  178    H    LEU  23           H        LEU  23   4.963  11.983  -7.828
  179    HA   LEU  23           HA       LEU  23   4.112  14.845  -7.586
  180    HB2  LEU  23           HB2      LEU  23   2.289  13.358  -7.884
  181    HB3  LEU  23           HB3      LEU  23   2.986  12.137  -6.821
  182    HG   LEU  23           HG       LEU  23   2.589  13.666  -4.842
  183   HD11  LEU  23          HD11      LEU  23   0.930  15.438  -5.034
  184   HD12  LEU  23          HD12      LEU  23   2.369  15.831  -5.978
  185   HD13  LEU  23          HD13      LEU  23   0.892  15.261  -6.797
  186   HD21  LEU  23          HD21      LEU  23   1.147  11.785  -5.267
  187   HD22  LEU  23          HD22      LEU  23   0.205  13.160  -4.681
  188   HD23  LEU  23          HD23      LEU  23   0.185  12.737  -6.413
  189    H    GLU  24           H        GLU  24   5.057  15.997  -5.911
  190    HA   GLU  24           HA       GLU  24   6.327  14.660  -3.632
  191    HB2  GLU  24           HB2      GLU  24   6.634  17.151  -5.030
  192    HB3  GLU  24           HB3      GLU  24   6.001  17.567  -3.438
  193    HG2  GLU  24           HG2      GLU  24   8.327  15.724  -4.041
  194    HG3  GLU  24           HG3      GLU  24   8.491  17.425  -3.589
  195    H    LYS  25           H        LYS  25   5.064  13.921  -2.018
  196    HA   LYS  25           HA       LYS  25   2.217  14.397  -2.241
  197    HB2  LYS  25           HB2      LYS  25   3.793  12.897  -0.157
  198    HB3  LYS  25           HB3      LYS  25   2.036  13.010  -0.189
  199    HG2  LYS  25           HG2      LYS  25   1.877  11.966  -2.366
  200    HG3  LYS  25           HG3      LYS  25   3.628  12.029  -2.595
  201    HD2  LYS  25           HD2      LYS  25   3.041   9.800  -2.036
  202    HD3  LYS  25           HD3      LYS  25   3.941  10.502  -0.679
  203    HE2  LYS  25           HE2      LYS  25   1.832  10.847   0.577
  204    HE3  LYS  25           HE3      LYS  25   0.875  10.355  -0.822
  205    HZ1  LYS  25           HZ1      LYS  25   2.682   8.536   0.701
  206    HZ2  LYS  25           HZ2      LYS  25   1.054   8.570   0.798
  207    HZ3  LYS  25           HZ3      LYS  25   1.769   8.101  -0.594
  208    H    ASP  26           H        ASP  26   4.751  15.783  -0.140
  209    HA   ASP  26           HA       ASP  26   2.932  16.785   1.838
  210    HB2  ASP  26           HB2      ASP  26   5.290  16.424   2.353
  211    HB3  ASP  26           HB3      ASP  26   5.767  17.636   1.152
  212    H    ALA  27           H        ALA  27   4.609  18.296  -0.946
  213    HA   ALA  27           HA       ALA  27   3.236  20.816  -0.541
  214    HB1  ALA  27           HB1      ALA  27   5.195  19.919  -2.698
  215    HB2  ALA  27           HB2      ALA  27   4.675  21.586  -2.376
  216    HB3  ALA  27           HB3      ALA  27   5.624  20.706  -1.157
  217    H    MET  28           H        MET  28   2.655  17.953  -2.435
  218    HA   MET  28           HA       MET  28   1.427  17.385  -4.136
  219    HB2  MET  28           HB2      MET  28  -0.458  19.652  -3.426
  220    HB3  MET  28           HB3      MET  28  -0.780  18.309  -4.527
  221    HG2  MET  28           HG2      MET  28  -0.175  16.752  -2.549
  222    HG3  MET  28           HG3      MET  28  -0.319  18.191  -1.545
  223    HE1  MET  28           HE1      MET  28  -2.038  15.340  -3.433
  224    HE2  MET  28           HE2      MET  28  -3.716  15.872  -3.648
  225    HE3  MET  28           HE3      MET  28  -2.423  16.618  -4.609
  226    H    ASP  29           H        ASP  29   3.696  18.935  -4.600
  227    HA   ASP  29           HA       ASP  29   3.097  20.406  -7.096
  228    HB2  ASP  29           HB2      ASP  29   4.832  21.221  -5.298
  229    HB3  ASP  29           HB3      ASP  29   5.875  19.977  -5.991
  230    H    VAL  30           H        VAL  30   4.257  19.551  -9.059
  231    HA   VAL  30           HA       VAL  30   4.773  16.630  -8.872
  232    HB   VAL  30           HB       VAL  30   2.898  17.891 -10.885
  233   HG11  VAL  30          HG11      VAL  30   3.761  14.995 -10.448
  234   HG12  VAL  30          HG12      VAL  30   2.519  15.546 -11.603
  235   HG13  VAL  30          HG13      VAL  30   4.209  16.014 -11.833
  236   HG21  VAL  30          HG21      VAL  30   2.246  15.962  -8.648
  237   HG22  VAL  30          HG22      VAL  30   1.806  17.685  -8.677
  238   HG23  VAL  30          HG23      VAL  30   1.134  16.613  -9.883
  239    H    TRP  31           H        TRP  31   6.699  16.324  -9.498
  240    HA   TRP  31           HA       TRP  31   8.130  18.079 -11.336
  241    HB2  TRP  31           HB2      TRP  31   9.099  15.460 -10.166
  242    HB3  TRP  31           HB3      TRP  31  10.037  16.854 -10.638
  243    HD1  TRP  31           HD1      TRP  31   8.412  15.221  -7.663
  244    HE1  TRP  31           HE1      TRP  31   8.905  16.511  -5.550
  245    HE3  TRP  31           HE3      TRP  31  10.163  19.491  -9.763
  246    HZ2  TRP  31           HZ2      TRP  31   9.961  19.107  -4.807
  247    HZ3  TRP  31           HZ3      TRP  31  11.015  21.357  -8.312
  248    HH2  TRP  31           HH2      TRP  31  10.882  21.176  -5.844
  249    H    CYS  32           H        CYS  32   7.989  17.624 -13.574
  250    HA   CYS  32           HA       CYS  32   7.681  14.762 -14.399
  251    HB2  CYS  32           HB2      CYS  32   5.753  16.016 -15.126
  252    HB3  CYS  32           HB3      CYS  32   6.794  17.320 -15.780
  253    HG   CYS  32           HG       CYS  32   5.794  15.992 -17.788
  254    H    ASN  33           H        ASN  33   9.471  13.966 -15.302
  255    HA   ASN  33           HA       ASN  33  11.670  13.824 -15.859
  256    HB2  ASN  33           HB2      ASN  33  10.539  14.489 -18.007
  257    HB3  ASN  33           HB3      ASN  33  11.026  16.153 -17.706
  258   HD21  ASN  33          HD22      ASN  33  12.465  12.796 -17.968
  259   HD22  ASN  33          HD21      ASN  33  13.927  13.347 -18.738
  260    H    GLY  34           H        GLY  34  11.266  15.226 -13.473
  261    HA2  GLY  34           HA2      GLY  34  12.624  16.187 -11.914
  262    HA3  GLY  34           HA3      GLY  34  13.837  16.486 -13.158
  263    H    LYS  35           H        LYS  35  10.997  17.983 -14.289
  264    HA   LYS  35           HA       LYS  35  11.749  20.598 -13.031
  265    HB2  LYS  35           HB2      LYS  35  10.591  19.960 -15.776
  266    HB3  LYS  35           HB3      LYS  35  10.817  21.590 -15.120
  267    HG2  LYS  35           HG2      LYS  35  13.252  21.262 -15.005
  268    HG3  LYS  35           HG3      LYS  35  13.086  19.583 -15.520
  269    HD2  LYS  35           HD2      LYS  35  13.816  20.866 -17.398
  270    HD3  LYS  35           HD3      LYS  35  12.158  20.317 -17.690
  271    HE2  LYS  35           HE2      LYS  35  11.297  22.567 -17.079
  272    HE3  LYS  35           HE3      LYS  35  12.938  23.103 -16.686
  273    HZ1  LYS  35           HZ1      LYS  35  12.012  22.290 -19.388
  274    HZ2  LYS  35           HZ2      LYS  35  12.277  23.825 -18.893
  275    HZ3  LYS  35           HZ3      LYS  35  13.530  22.792 -19.022
  276    H    LYS  36           H        LYS  36   9.995  21.953 -12.265
  277    HA   LYS  36           HA       LYS  36   7.557  20.587 -11.567
  278    HB2  LYS  36           HB2      LYS  36   8.232  23.549 -11.665
  279    HB3  LYS  36           HB3      LYS  36   6.793  22.872 -10.900
  280    HG2  LYS  36           HG2      LYS  36   7.943  22.020  -9.083
  281    HG3  LYS  36           HG3      LYS  36   9.431  21.774  -9.990
  282    HD2  LYS  36           HD2      LYS  36   9.769  23.521  -8.382
  283    HD3  LYS  36           HD3      LYS  36   9.917  24.127 -10.046
  284    HE2  LYS  36           HE2      LYS  36   7.595  25.067  -9.885
  285    HE3  LYS  36           HE3      LYS  36   7.441  24.405  -8.255
  286    HZ1  LYS  36           HZ1      LYS  36   8.022  26.751  -8.216
  287    HZ2  LYS  36           HZ2      LYS  36   9.235  25.890  -7.551
  288    HZ3  LYS  36           HZ3      LYS  36   9.394  26.497  -9.066
  289    H    LEU  37           H        LEU  37   5.488  20.828 -12.508
  290    HA   LEU  37           HA       LEU  37   5.284  22.394 -14.981
  291    HB2  LEU  37           HB2      LEU  37   3.705  20.771 -15.932
  292    HB3  LEU  37           HB3      LEU  37   5.391  20.279 -15.833
  293    HG   LEU  37           HG       LEU  37   4.952  18.879 -13.954
  294   HD11  LEU  37          HD11      LEU  37   3.067  19.812 -12.787
  295   HD12  LEU  37          HD12      LEU  37   2.040  19.673 -14.238
  296   HD13  LEU  37          HD13      LEU  37   2.569  18.221 -13.365
  297   HD21  LEU  37          HD21      LEU  37   4.743  18.044 -16.294
  298   HD22  LEU  37          HD22      LEU  37   3.716  17.124 -15.173
  299   HD23  LEU  37          HD23      LEU  37   3.000  18.360 -16.240
  300    H    GLU  38           H        GLU  38   2.908  22.801 -15.487
  301    HA   GLU  38           HA       GLU  38   1.850  24.238 -13.230
  302    HB2  GLU  38           HB2      GLU  38   0.205  25.090 -14.810
  303    HB3  GLU  38           HB3      GLU  38   1.844  25.241 -15.449
  304    HG2  GLU  38           HG2      GLU  38   1.428  23.099 -16.782
  305    HG3  GLU  38           HG3      GLU  38  -0.246  23.165 -16.249
  306    H    THR  39           H        THR  39  -0.159  23.891 -12.206
  307    HA   THR  39           HA       THR  39  -1.621  21.374 -12.767
  308    HB   THR  39           HB       THR  39  -1.644  21.101 -10.184
  309    HG1  THR  39           HG1      THR  39  -0.372  22.887  -9.589
  310   HG21  THR  39          HG21      THR  39   0.827  20.311 -11.780
  311   HG22  THR  39          HG22      THR  39   0.241  19.532 -10.302
  312   HG23  THR  39          HG23      THR  39  -0.727  19.451 -11.786
  313    H    ALA  40           H        ALA  40  -3.738  21.364 -12.075
  314    HA   ALA  40           HA       ALA  40  -4.848  23.726 -10.672
  315    HB1  ALA  40           HB1      ALA  40  -5.423  24.044 -13.078
  316    HB2  ALA  40           HB2      ALA  40  -6.084  22.389 -13.134
  317    HB3  ALA  40           HB3      ALA  40  -6.861  23.614 -12.120
  318    H    GLY  41           H        GLY  41  -6.504  23.003  -9.156
  319    HA2  GLY  41           HA2      GLY  41  -6.613  20.029  -8.799
  320    HA3  GLY  41           HA3      GLY  41  -6.454  21.194  -7.474
  321    H    GLU  42           H        GLU  42  -8.648  19.493  -9.438
  322    HA   GLU  42           HA       GLU  42 -10.868  21.282  -8.651
  323    HB2  GLU  42           HB2      GLU  42 -10.529  19.382 -10.975
  324    HB3  GLU  42           HB3      GLU  42 -12.144  19.646 -10.295
  325    HG2  GLU  42           HG2      GLU  42 -11.876  22.078 -10.503
  326    HG3  GLU  42           HG3      GLU  42 -10.280  21.849 -11.246
  327    H    PHE  43           H        PHE  43 -12.704  20.332  -7.659
  328    HA   PHE  43           HA       PHE  43 -12.031  17.871  -6.094
  329    HB2  PHE  43           HB2      PHE  43 -13.853  20.186  -5.374
  330    HB3  PHE  43           HB3      PHE  43 -13.660  18.711  -4.438
  331    HD1  PHE  43           HD1      PHE  43 -11.449  18.156  -3.357
  332    HD2  PHE  43           HD2      PHE  43 -12.171  21.968  -5.261
  333    HE1  PHE  43           HE1      PHE  43  -9.503  19.124  -2.167
  334    HE2  PHE  43           HE2      PHE  43 -10.213  22.921  -4.082
  335    HZ   PHE  43           HZ       PHE  43  -8.872  21.509  -2.532
  336    H    VAL  44           H        VAL  44 -13.443  16.176  -6.056
  337    HA   VAL  44           HA       VAL  44 -15.997  16.376  -7.529
  338    HB   VAL  44           HB       VAL  44 -15.356  13.914  -8.137
  339   HG11  VAL  44          HG11      VAL  44 -14.462  14.666 -10.290
  340   HG12  VAL  44          HG12      VAL  44 -15.816  15.656  -9.725
  341   HG13  VAL  44          HG13      VAL  44 -14.148  16.277  -9.603
  342   HG21  VAL  44          HG21      VAL  44 -13.056  13.425  -8.594
  343   HG22  VAL  44          HG22      VAL  44 -12.528  14.993  -7.950
  344   HG23  VAL  44          HG23      VAL  44 -13.262  13.777  -6.873
  345    H    ASP  45           H        ASP  45 -17.380  14.488  -7.029
  346    HA   ASP  45           HA       ASP  45 -17.591  14.128  -4.155
  347    HB2  ASP  45           HB2      ASP  45 -19.576  14.617  -5.504
  348    HB3  ASP  45           HB3      ASP  45 -19.356  13.112  -6.399
  349    H    ASP  46           H        ASP  46 -15.315  13.143  -4.723
  350    HA   ASP  46           HA       ASP  46 -15.286  10.242  -4.384
  351    HB2  ASP  46           HB2      ASP  46 -15.550  10.380  -6.816
  352    HB3  ASP  46           HB3      ASP  46 -14.283  11.598  -6.925
  353    H    GLY  47           H        GLY  47 -13.570  13.390  -4.822
  354    HA2  GLY  47           HA2      GLY  47 -11.768  13.342  -2.807
  355    HA3  GLY  47           HA3      GLY  47 -11.016  12.316  -4.044
  356    H    THR  48           H        THR  48  -9.481  13.617  -5.002
  357    HA   THR  48           HA       THR  48 -10.359  16.233  -6.098
  358    HB   THR  48           HB       THR  48  -7.593  15.831  -5.000
  359    HG1  THR  48           HG1      THR  48  -8.215  16.543  -2.991
  360   HG21  THR  48          HG21      THR  48  -7.940  17.824  -6.373
  361   HG22  THR  48          HG22      THR  48  -9.309  18.316  -5.353
  362   HG23  THR  48          HG23      THR  48  -7.660  18.285  -4.692
  363    H    GLU  49           H        GLU  49  -9.250  16.802  -8.029
  364    HA   GLU  49           HA       GLU  49  -7.607  14.705  -9.278
  365    HB2  GLU  49           HB2      GLU  49  -9.925  16.185 -10.555
  366    HB3  GLU  49           HB3      GLU  49  -8.706  15.237 -11.448
  367    HG2  GLU  49           HG2      GLU  49  -9.269  13.242 -10.107
  368    HG3  GLU  49           HG3      GLU  49 -10.537  14.138  -9.270
  369    H    THR  50           H        THR  50  -5.637  15.574  -9.446
  370    HA   THR  50           HA       THR  50  -5.329  18.509  -9.823
  371    HB   THR  50           HB       THR  50  -3.403  16.315  -9.029
  372    HG1  THR  50           HG1      THR  50  -4.758  17.124  -7.383
  373   HG21  THR  50          HG21      THR  50  -1.755  18.217  -8.692
  374   HG22  THR  50          HG22      THR  50  -2.051  17.744 -10.364
  375   HG23  THR  50          HG23      THR  50  -2.818  19.216  -9.727
  376    H    HIS  51           H        HIS  51  -5.510  19.037 -11.956
  377    HA   HIS  51           HA       HIS  51  -4.911  17.035 -14.047
  378    HB2  HIS  51           HB2      HIS  51  -6.216  19.783 -14.166
  379    HB3  HIS  51           HB3      HIS  51  -5.998  18.702 -15.537
  380    HD1  HIS  51           HD1      HIS  51  -7.705  16.635 -15.737
  381    HD2  HIS  51           HD2      HIS  51  -8.187  19.159 -12.394
  382    HE1  HIS  51           HE1      HIS  51  -9.941  16.016 -14.681
  383    H    PHE  52           H        PHE  52  -3.433  17.371 -15.704
  384    HA   PHE  52           HA       PHE  52  -2.138  19.896 -16.158
  385    HB2  PHE  52           HB2      PHE  52   0.190  19.059 -15.897
  386    HB3  PHE  52           HB3      PHE  52  -0.676  19.266 -14.400
  387    HD1  PHE  52           HD2      PHE  52  -1.376  17.394 -13.003
  388    HD2  PHE  52           HD1      PHE  52   0.999  16.820 -16.565
  389    HE1  PHE  52           HE2      PHE  52  -0.640  15.204 -12.148
  390    HE2  PHE  52           HE1      PHE  52   1.719  14.594 -15.687
  391    HZ   PHE  52           HZ       PHE  52   0.945  13.810 -13.477
  392    H    SER  53           H        SER  53  -0.217  19.176 -17.966
  393    HA   SER  53           HA       SER  53  -1.323  17.163 -19.792
  394    HB2  SER  53           HB2      SER  53  -1.013  20.086 -20.612
  395    HB3  SER  53           HB3      SER  53  -1.521  18.750 -21.654
  396    HG   SER  53           HG       SER  53  -3.298  20.022 -20.873
  397    H    ILE  54           H        ILE  54   0.185  16.526 -21.400
  398    HA   ILE  54           HA       ILE  54   2.910  17.632 -21.325
  399    HB   ILE  54           HB       ILE  54   2.327  14.682 -20.793
  400   HG12  ILE  54          HG12      ILE  54   3.515  16.701 -18.831
  401   HG13  ILE  54          HG13      ILE  54   1.859  16.095 -18.756
  402   HG21  ILE  54          HG21      ILE  54   4.423  15.218 -22.119
  403   HG22  ILE  54          HG22      ILE  54   4.995  16.196 -20.757
  404   HG23  ILE  54          HG23      ILE  54   4.765  14.443 -20.591
  405   HD11  ILE  54          HD11      ILE  54   4.291  14.321 -18.440
  406   HD12  ILE  54          HD12      ILE  54   3.248  14.972 -17.163
  407   HD13  ILE  54          HD13      ILE  54   2.579  13.833 -18.348
  408    H    GLY  55           H        GLY  55   3.613  17.639 -23.475
  409    HA2  GLY  55           HA2      GLY  55   3.522  17.346 -25.763
  410    HA3  GLY  55           HA3      GLY  55   2.993  15.687 -25.431
  411    H    ASN  56           H        ASN  56   1.209  15.382 -26.704
  412    HA   ASN  56           HA       ASN  56  -0.956  17.396 -26.698
  413    HB2  ASN  56           HB2      ASN  56   0.020  16.621 -28.891
  414    HB3  ASN  56           HB3      ASN  56  -0.622  15.011 -28.536
  415   HD21  ASN  56          HD22      ASN  56  -1.996  15.152 -30.472
  416   HD22  ASN  56          HD21      ASN  56  -3.419  16.168 -30.481
  417    H    HIS  57           H        HIS  57  -0.413  15.659 -24.361
  418    HA   HIS  57           HA       HIS  57  -2.928  14.054 -24.293
  419    HB2  HIS  57           HB2      HIS  57  -0.348  13.424 -22.820
  420    HB3  HIS  57           HB3      HIS  57  -1.817  12.466 -22.856
  421    HD1  HIS  57           HD1      HIS  57  -2.013  10.735 -24.920
  422    HD2  HIS  57           HD2      HIS  57   1.209  13.438 -25.059
  423    HE1  HIS  57           HE1      HIS  57  -0.467   9.922 -26.775
  424    H    ASP  58           H        ASP  58  -4.035  14.114 -22.280
  425    HA   ASP  58           HA       ASP  58  -3.123  16.187 -20.351
  426    HB2  ASP  58           HB2      ASP  58  -5.200  16.712 -19.734
  427    HB3  ASP  58           HB3      ASP  58  -5.458  16.454 -21.453
  428    H    CYS  59           H        CYS  59  -3.251  15.668 -18.151
  429    HA   CYS  59           HA       CYS  59  -3.309  12.794 -17.435
  430    HB2  CYS  59           HB2      CYS  59  -1.252  14.692 -16.312
  431    HB3  CYS  59           HB3      CYS  59  -1.266  12.925 -16.269
  432    HG   CYS  59           HG       CYS  59  -0.828  15.003 -18.778
  433    H    TYR  60           H        TYR  60  -3.937  12.507 -15.142
  434    HA   TYR  60           HA       TYR  60  -4.013  14.923 -13.583
  435    HB2  TYR  60           HB2      TYR  60  -6.286  14.841 -12.867
  436    HB3  TYR  60           HB3      TYR  60  -6.207  15.008 -14.609
  437    HD1  TYR  60           HD1      TYR  60  -6.624  12.334 -11.977
  438    HD2  TYR  60           HD2      TYR  60  -7.610  13.696 -15.938
  439    HE1  TYR  60           HE1      TYR  60  -8.253  10.501 -12.195
  440    HE2  TYR  60           HE2      TYR  60  -9.391  11.977 -16.090
  441    HH   TYR  60           HH       TYR  60 -10.483  10.181 -14.992
  442    H    ILE  61           H        ILE  61  -3.789  14.546 -11.377
  443    HA   ILE  61           HA       ILE  61  -3.276  11.707 -10.642
  444    HB   ILE  61           HB       ILE  61  -2.688  14.328  -9.275
  445   HG12  ILE  61          HG12      ILE  61  -0.773  12.051  -9.948
  446   HG13  ILE  61          HG13      ILE  61  -1.210  13.253 -11.158
  447   HG21  ILE  61          HG21      ILE  61  -3.469  12.738  -7.526
  448   HG22  ILE  61          HG22      ILE  61  -2.273  11.542  -8.089
  449   HG23  ILE  61          HG23      ILE  61  -1.763  13.095  -7.374
  450   HD11  ILE  61          HD11      ILE  61   0.848  13.953 -10.112
  451   HD12  ILE  61          HD12      ILE  61  -0.453  15.075  -9.636
  452   HD13  ILE  61          HD13      ILE  61   0.126  13.834  -8.498
  453    H    LYS  62           H        LYS  62  -4.986  10.614  -9.885
  454    HA   LYS  62           HA       LYS  62  -7.413  12.018  -8.901
  455    HB2  LYS  62           HB2      LYS  62  -7.084   9.724 -10.440
  456    HB3  LYS  62           HB3      LYS  62  -7.195   9.018  -8.843
  457    HG2  LYS  62           HG2      LYS  62  -9.381  10.180  -8.500
  458    HG3  LYS  62           HG3      LYS  62  -9.234  10.909 -10.103
  459    HD2  LYS  62           HD2      LYS  62  -9.153   8.597 -11.130
  460    HD3  LYS  62           HD3      LYS  62  -9.353   7.919  -9.514
  461    HE2  LYS  62           HE2      LYS  62 -11.507   7.842 -10.411
  462    HE3  LYS  62           HE3      LYS  62 -11.536   9.237  -9.327
  463    HZ1  LYS  62           HZ1      LYS  62 -11.188   9.405 -12.292
  464    HZ2  LYS  62           HZ2      LYS  62 -12.592   9.656 -11.495
  465    HZ3  LYS  62           HZ3      LYS  62 -11.355  10.694 -11.280
  466    H    ALA  63           H        ALA  63  -7.309  12.561  -6.794
  467    HA   ALA  63           HA       ALA  63  -5.734  10.877  -4.922
  468    HB1  ALA  63           HB1      ALA  63  -5.743  12.900  -3.482
  469    HB2  ALA  63           HB2      ALA  63  -4.918  13.203  -5.023
  470    HB3  ALA  63           HB3      ALA  63  -6.582  13.805  -4.754
  471    H    VAL  64           H        VAL  64  -7.299   9.376  -4.611
  472    HA   VAL  64           HA       VAL  64 -10.105  10.109  -4.494
  473    HB   VAL  64           HB       VAL  64  -8.690   7.409  -4.285
  474   HG11  VAL  64          HG11      VAL  64 -11.595   8.051  -4.848
  475   HG12  VAL  64          HG12      VAL  64 -10.851   6.436  -4.960
  476   HG13  VAL  64          HG13      VAL  64 -10.927   7.262  -3.400
  477   HG21  VAL  64          HG21      VAL  64  -9.855   8.757  -6.744
  478   HG22  VAL  64          HG22      VAL  64  -8.124   8.431  -6.425
  479   HG23  VAL  64          HG23      VAL  64  -9.247   7.087  -6.665
  480    H    SER  65           H        SER  65 -11.150  10.463  -2.510
  481    HA   SER  65           HA       SER  65  -9.735   9.821  -0.023
  482    HB2  SER  65           HB2      SER  65 -12.393  11.223  -0.483
  483    HB3  SER  65           HB3      SER  65 -11.470  11.153   1.029
  484    HG   SER  65           HG       SER  65 -11.059  13.111  -0.062
  485    H    SER  66           H        SER  66  -9.867   7.432  -0.602
  486    HA   SER  66           HA       SER  66 -12.471   6.206  -0.830
  487    HB2  SER  66           HB2      SER  66 -11.204   4.119  -0.902
  488    HB3  SER  66           HB3      SER  66 -10.460   5.331  -1.969
  489    HG   SER  66           HG       SER  66  -9.022   4.078  -0.505
  490    H    GLY  67           H        GLY  67 -10.024   6.475   1.763
  491    HA2  GLY  67           HA2      GLY  67 -11.491   4.792   3.620
  492    HA3  GLY  67           HA3      GLY  67 -10.025   5.716   3.957
  493    H    LYS  68           H        LYS  68 -12.376   5.433   5.638
  494    HA   LYS  68           HA       LYS  68 -13.669   8.080   5.676
  495    HB2  LYS  68           HB2      LYS  68 -13.704   5.811   7.719
  496    HB3  LYS  68           HB3      LYS  68 -14.733   7.240   7.743
  497    HG2  LYS  68           HG2      LYS  68 -14.769   5.037   5.635
  498    HG3  LYS  68           HG3      LYS  68 -15.945   5.292   6.920
  499    HD2  LYS  68           HD2      LYS  68 -16.534   7.513   5.925
  500    HD3  LYS  68           HD3      LYS  68 -15.428   7.166   4.569
  501    HE2  LYS  68           HE2      LYS  68 -16.725   5.111   4.037
  502    HE3  LYS  68           HE3      LYS  68 -17.827   5.463   5.374
  503    HZ1  LYS  68           HZ1      LYS  68 -18.742   6.212   3.274
  504    HZ2  LYS  68           HZ2      LYS  68 -18.475   7.508   4.224
  505    HZ3  LYS  68           HZ3      LYS  68 -17.462   7.180   2.978
  506    H    ARG  69           H        ARG  69 -10.779   6.622   7.018
  507    HA   ARG  69           HA       ARG  69 -10.378   8.579   9.137
  508    HB2  ARG  69           HB2      ARG  69  -8.401   6.805   7.626
  509    HB3  ARG  69           HB3      ARG  69  -7.997   7.756   9.047
  510    HG2  ARG  69           HG2      ARG  69  -9.969   5.420   9.001
  511    HG3  ARG  69           HG3      ARG  69  -8.295   5.375   9.527
  512    HD2  ARG  69           HD2      ARG  69  -9.469   5.511  11.526
  513    HD3  ARG  69           HD3      ARG  69  -8.894   7.164  11.253
  514    HE   ARG  69           HE       ARG  69 -11.575   6.615  10.214
  515   HH11  ARG  69          HH11      ARG  69  -9.815   7.469  13.184
  516   HH12  ARG  69          HH12      ARG  69 -11.171   8.226  13.944
  517   HH21  ARG  69          HH21      ARG  69 -13.379   7.671  11.210
  518   HH22  ARG  69          HH22      ARG  69 -13.239   8.334  12.795
  519    H    LYS  70           H        LYS  70  -8.941  10.360   9.073
  520    HA   LYS  70           HA       LYS  70  -9.361  12.124   6.979
  521    HB2  LYS  70           HB2      LYS  70  -8.770  12.882   9.176
  522    HB3  LYS  70           HB3      LYS  70  -7.236  12.020   9.161
  523    HG2  LYS  70           HG2      LYS  70  -7.009  14.462   8.947
  524    HG3  LYS  70           HG3      LYS  70  -6.246  13.574   7.625
  525    HD2  LYS  70           HD2      LYS  70  -8.008  14.168   6.088
  526    HD3  LYS  70           HD3      LYS  70  -9.025  14.801   7.401
  527    HE2  LYS  70           HE2      LYS  70  -7.308  16.563   7.845
  528    HE3  LYS  70           HE3      LYS  70  -6.321  15.929   6.523
  529    HZ1  LYS  70           HZ1      LYS  70  -7.646  17.830   5.825
  530    HZ2  LYS  70           HZ2      LYS  70  -8.128  16.510   4.989
  531    HZ3  LYS  70           HZ3      LYS  70  -9.039  17.087   6.224
  532    H    GLU  71           H        GLU  71  -6.378  10.178   7.548
  533    HA   GLU  71           HA       GLU  71  -5.166  11.351   5.219
  534    HB2  GLU  71           HB2      GLU  71  -4.182   9.201   7.128
  535    HB3  GLU  71           HB3      GLU  71  -3.198   9.966   5.875
  536    HG2  GLU  71           HG2      GLU  71  -3.577  12.190   6.919
  537    HG3  GLU  71           HG3      GLU  71  -4.487  11.419   8.222
  538    H    GLY  72           H        GLY  72  -7.544   9.226   5.126
  539    HA2  GLY  72           HA2      GLY  72  -6.474   6.882   3.877
  540    HA3  GLY  72           HA3      GLY  72  -8.169   7.320   4.114
  541    H    ILE  73           H        ILE  73  -5.641   9.078   2.214
  542    HA   ILE  73           HA       ILE  73  -7.450   9.076  -0.081
  543    HB   ILE  73           HB       ILE  73  -4.961  10.669   0.574
  544   HG12  ILE  73          HG12      ILE  73  -6.509  12.600   0.318
  545   HG13  ILE  73          HG13      ILE  73  -7.858  11.486   0.087
  546   HG21  ILE  73          HG21      ILE  73  -5.335  11.918  -1.510
  547   HG22  ILE  73          HG22      ILE  73  -4.941  10.247  -1.871
  548   HG23  ILE  73          HG23      ILE  73  -6.631  10.784  -1.975
  549   HD11  ILE  73          HD11      ILE  73  -6.185  11.587   2.611
  550   HD12  ILE  73          HD12      ILE  73  -7.654  12.558   2.352
  551   HD13  ILE  73          HD13      ILE  73  -7.774  10.792   2.359
  552    H    ILE  74           H        ILE  74  -6.980   7.942  -2.008
  553    HA   ILE  74           HA       ILE  74  -4.410   6.440  -2.177
  554    HB   ILE  74           HB       ILE  74  -6.970   6.081  -3.761
  555   HG12  ILE  74          HG12      ILE  74  -7.289   5.443  -1.450
  556   HG13  ILE  74          HG13      ILE  74  -7.359   4.054  -2.518
  557   HG21  ILE  74          HG21      ILE  74  -4.382   4.475  -3.777
  558   HG22  ILE  74          HG22      ILE  74  -5.904   3.962  -4.535
  559   HG23  ILE  74          HG23      ILE  74  -5.077   5.409  -5.113
  560   HD11  ILE  74          HD11      ILE  74  -5.040   3.416  -1.795
  561   HD12  ILE  74          HD12      ILE  74  -5.021   4.830  -0.706
  562   HD13  ILE  74          HD13      ILE  74  -6.173   3.516  -0.436
  563    H    HIS  75           H        HIS  75  -2.888   7.431  -3.500
  564    HA   HIS  75           HA       HIS  75  -3.820   9.547  -5.386
  565    HB2  HIS  75           HB2      HIS  75  -1.076   8.921  -4.241
  566    HB3  HIS  75           HB3      HIS  75  -1.383  10.095  -5.526
  567    HD1  HIS  75           HD1      HIS  75  -1.934   9.667  -1.736
  568    HD2  HIS  75           HD2      HIS  75  -2.481  12.437  -4.862
  569    HE1  HIS  75           HE1      HIS  75  -2.489  11.900  -0.638
  570    H    THR  76           H        THR  76  -3.992   8.971  -7.499
  571    HA   THR  76           HA       THR  76  -2.193   6.863  -8.575
  572    HB   THR  76           HB       THR  76  -5.055   7.206  -9.560
  573    HG1  THR  76           HG1      THR  76  -5.364   6.594  -7.434
  574   HG21  THR  76          HG21      THR  76  -3.668   5.999 -11.058
  575   HG22  THR  76          HG22      THR  76  -2.950   5.012  -9.753
  576   HG23  THR  76          HG23      THR  76  -4.653   4.798 -10.193
  577    H    LEU  77           H        LEU  77  -1.494   7.303 -10.777
  578    HA   LEU  77           HA       LEU  77  -2.153  10.035 -11.749
  579    HB2  LEU  77           HB2      LEU  77   0.221   9.586 -11.635
  580    HB3  LEU  77           HB3      LEU  77   0.014   8.060 -12.513
  581    HG   LEU  77           HG       LEU  77  -0.796   9.383 -14.502
  582   HD11  LEU  77          HD11      LEU  77  -1.531  11.465 -13.454
  583   HD12  LEU  77          HD12      LEU  77   0.097  11.738 -12.785
  584   HD13  LEU  77          HD13      LEU  77  -0.190  11.823 -14.541
  585   HD21  LEU  77          HD21      LEU  77   1.985  10.043 -13.466
  586   HD22  LEU  77          HD22      LEU  77   1.505   8.583 -14.365
  587   HD23  LEU  77          HD23      LEU  77   1.445  10.163 -15.163
  588    H    ILE  78           H        ILE  78  -3.567  10.219 -13.406
  589    HA   ILE  78           HA       ILE  78  -4.167   7.847 -15.043
  590    HB   ILE  78           HB       ILE  78  -5.857  10.117 -14.021
  591   HG12  ILE  78          HG12      ILE  78  -7.592   8.393 -13.808
  592   HG13  ILE  78          HG13      ILE  78  -6.534   7.186 -14.542
  593   HG21  ILE  78          HG21      ILE  78  -6.275   8.801 -16.716
  594   HG22  ILE  78          HG22      ILE  78  -7.585   9.559 -15.783
  595   HG23  ILE  78          HG23      ILE  78  -6.206  10.546 -16.279
  596   HD11  ILE  78          HD11      ILE  78  -5.832   8.664 -11.987
  597   HD12  ILE  78          HD12      ILE  78  -6.776   7.148 -12.013
  598   HD13  ILE  78          HD13      ILE  78  -5.123   7.154 -12.632
  599    H    VAL  79           H        VAL  79  -3.868   8.197 -17.339
  600    HA   VAL  79           HA       VAL  79  -3.214  10.886 -18.270
  601    HB   VAL  79           HB       VAL  79  -1.504   8.456 -18.886
  602   HG11  VAL  79          HG11      VAL  79  -0.011  10.104 -20.037
  603   HG12  VAL  79          HG12      VAL  79  -1.598   9.990 -20.796
  604   HG13  VAL  79          HG13      VAL  79  -1.221  11.370 -19.743
  605   HG21  VAL  79          HG21      VAL  79  -0.995   9.152 -16.653
  606   HG22  VAL  79          HG22      VAL  79   0.326   9.717 -17.688
  607   HG23  VAL  79          HG23      VAL  79  -0.902  10.863 -17.130
  608    H    ASP  80           H        ASP  80  -4.246  11.285 -20.184
  609    HA   ASP  80           HA       ASP  80  -5.891  11.000 -21.691
  610    HB2  ASP  80           HB2      ASP  80  -3.902  10.245 -22.923
  611    HB3  ASP  80           HB3      ASP  80  -4.247   8.575 -22.472
  612    H    ASN  81           H        ASN  81  -6.660  10.136 -19.235
  613    HA   ASN  81           HA       ASN  81  -8.315   9.143 -18.115
  614    HB2  ASN  81           HB2      ASN  81  -9.654   9.748 -20.133
  615    HB3  ASN  81           HB3      ASN  81  -9.397   8.121 -20.755
  616   HD21  ASN  81          HD22      ASN  81 -10.761   9.879 -17.883
  617   HD22  ASN  81          HD21      ASN  81 -11.979   8.670 -17.559
  618    H    ARG  82           H        ARG  82  -5.842   7.319 -19.349
  619    HA   ARG  82           HA       ARG  82  -6.877   4.730 -18.399
  620    HB2  ARG  82           HB2      ARG  82  -4.332   5.609 -19.858
  621    HB3  ARG  82           HB3      ARG  82  -4.468   4.048 -19.052
  622    HG2  ARG  82           HG2      ARG  82  -5.029   3.636 -21.269
  623    HG3  ARG  82           HG3      ARG  82  -6.535   3.592 -20.316
  624    HD2  ARG  82           HD2      ARG  82  -7.201   5.748 -21.183
  625    HD3  ARG  82           HD3      ARG  82  -5.630   5.956 -22.001
  626    HE   ARG  82           HE       ARG  82  -6.738   3.591 -22.995
  627   HH11  ARG  82          HH11      ARG  82  -7.555   7.045 -22.972
  628   HH12  ARG  82          HH12      ARG  82  -8.504   6.983 -24.426
  629   HH21  ARG  82          HH21      ARG  82  -7.986   3.493 -24.938
  630   HH22  ARG  82          HH22      ARG  82  -8.748   4.909 -25.566
  631    H    GLU  83           H        GLU  83  -5.888   3.660 -16.682
  632    HA   GLU  83           HA       GLU  83  -4.905   5.494 -14.624
  633    HB2  GLU  83           HB2      GLU  83  -6.812   4.121 -14.100
  634    HB3  GLU  83           HB3      GLU  83  -5.914   2.635 -14.494
  635    HG2  GLU  83           HG2      GLU  83  -4.337   3.141 -12.619
  636    HG3  GLU  83           HG3      GLU  83  -5.258   4.619 -12.298
  637    H    ILE  84           H        ILE  84  -2.854   5.473 -13.815
  638    HA   ILE  84           HA       ILE  84  -0.898   3.572 -14.967
  639    HB   ILE  84           HB       ILE  84  -0.473   6.461 -14.115
  640   HG12  ILE  84          HG12      ILE  84  -1.903   6.572 -16.038
  641   HG13  ILE  84          HG13      ILE  84  -0.273   7.076 -16.422
  642   HG21  ILE  84          HG21      ILE  84   1.338   4.524 -15.596
  643   HG22  ILE  84          HG22      ILE  84   1.658   6.254 -15.300
  644   HG23  ILE  84          HG23      ILE  84   1.539   5.130 -13.946
  645   HD11  ILE  84          HD11      ILE  84   0.156   4.932 -17.583
  646   HD12  ILE  84          HD12      ILE  84  -1.469   4.366 -17.138
  647   HD13  ILE  84          HD13      ILE  84  -1.278   5.744 -18.235
  648    HA   PRO  85           HA       PRO  85  -0.564   2.772 -10.464
  649    HB2  PRO  85           HB2      PRO  85   0.814   0.430 -10.555
  650    HB3  PRO  85           HB3      PRO  85  -0.925   0.535 -10.974
  651    HG2  PRO  85           HG2      PRO  85   1.454   0.539 -12.862
  652    HG3  PRO  85           HG3      PRO  85  -0.042  -0.445 -12.971
  653    HD2  PRO  85           HD2      PRO  85   0.300   1.899 -14.357
  654    HD3  PRO  85           HD3      PRO  85  -1.305   1.392 -13.732
  655    H    GLU  86           H        GLU  86   1.231   2.837  -8.923
  656    HA   GLU  86           HA       GLU  86   3.379   4.545  -9.623
  657    HB2  GLU  86           HB2      GLU  86   4.026   4.480  -7.477
  658    HB3  GLU  86           HB3      GLU  86   2.283   4.178  -7.361
  659    HG2  GLU  86           HG2      GLU  86   2.920   1.684  -7.214
  660    HG3  GLU  86           HG3      GLU  86   4.598   2.258  -7.071
  661    H    ILE  87           H        ILE  87   5.696   3.999  -9.336
  662    HA   ILE  87           HA       ILE  87   6.509   1.998 -11.188
  663    HB   ILE  87           HB       ILE  87   8.839   2.611 -10.331
  664   HG12  ILE  87          HG12      ILE  87   7.467   4.805  -8.822
  665   HG13  ILE  87          HG13      ILE  87   8.015   3.326  -8.034
  666   HG21  ILE  87          HG21      ILE  87   7.086   4.894 -11.295
  667   HG22  ILE  87          HG22      ILE  87   8.851   4.725 -11.511
  668   HG23  ILE  87          HG23      ILE  87   7.759   3.607 -12.318
  669   HD11  ILE  87          HD11      ILE  87   9.847   5.249  -9.523
  670   HD12  ILE  87          HD12      ILE  87   9.706   5.062  -7.766
  671   HD13  ILE  87          HD13      ILE  87  10.334   3.726  -8.751
  672    H    ALA  88           H        ALA  88   7.773   0.143 -10.938
  673    HA   ALA  88           HA       ALA  88   8.242  -0.937  -8.242
  674    HB1  ALA  88           HB1      ALA  88   7.505  -3.185  -8.978
  675    HB2  ALA  88           HB2      ALA  88   6.145  -2.035  -8.921
  676    HB3  ALA  88           HB3      ALA  88   6.875  -2.497 -10.482
  677    H    SER  89           H        SER  89  10.425  -0.738  -8.366
  678    HA   SER  89           HA       SER  89  11.968  -1.129 -10.738
  679    HB2  SER  89           HB2      SER  89  12.895  -1.350  -7.846
  680    HB3  SER  89           HB3      SER  89  13.889  -0.993  -9.266
  681    HG   SER  89           HG       SER  89  13.336   0.936  -8.096
  Start of MODEL    3
    1    H1   GLU   1           H1       GLU   1  10.287   7.012  10.910
    2    H2   GLU   1           H2       GLU   1   9.902   8.284   9.946
    3    H3   GLU   1           H3       GLU   1  11.214   7.374   9.606
    4    HA   GLU   1           HA       GLU   1  10.856   9.053  11.993
    5    HB2  GLU   1           HB2      GLU   1  12.239   7.073  12.430
    6    HB3  GLU   1           HB3      GLU   1  13.348   7.539  11.134
    7    HG2  GLU   1           HG2      GLU   1  13.903   9.623  12.345
    8    HG3  GLU   1           HG3      GLU   1  12.719   9.231  13.594
    9    H    ASP   2           H        ASP   2  13.313   8.798   9.320
   10    HA   ASP   2           HA       ASP   2  12.592  11.480   8.360
   11    HB2  ASP   2           HB2      ASP   2  14.448  11.556  10.247
   12    HB3  ASP   2           HB3      ASP   2  15.505  10.941   8.980
   13    H    ARG   3           H        ARG   3  14.418  11.843   6.474
   14    HA   ARG   3           HA       ARG   3  14.869  11.372   4.361
   15    HB2  ARG   3           HB2      ARG   3  15.679   8.650   5.335
   16    HB3  ARG   3           HB3      ARG   3  16.053   9.327   3.752
   17    HG2  ARG   3           HG2      ARG   3  16.856  10.532   6.400
   18    HG3  ARG   3           HG3      ARG   3  17.908   9.563   5.357
   19    HD2  ARG   3           HD2      ARG   3  18.620  11.648   4.744
   20    HD3  ARG   3           HD3      ARG   3  17.284  11.482   3.583
   21    HE   ARG   3           HE       ARG   3  16.479  12.601   6.161
   22   HH11  ARG   3          HH11      ARG   3  17.999  13.619   3.098
   23   HH12  ARG   3          HH12      ARG   3  17.456  15.259   3.254
   24   HH21  ARG   3          HH21      ARG   3  15.775  14.598   6.354
   25   HH22  ARG   3          HH22      ARG   3  16.150  15.869   5.209
   26    H    SER   4           H        SER   4  12.092  11.045   5.184
   27    HA   SER   4           HA       SER   4  10.878   8.777   4.029
   28    HB2  SER   4           HB2      SER   4   9.656  11.540   4.423
   29    HB3  SER   4           HB3      SER   4   8.809   9.985   4.375
   30    HG   SER   4           HG       SER   4   9.150  10.730   6.536
   31    H    LYS   5           H        LYS   5   9.864   8.455   2.013
   32    HA   LYS   5           HA       LYS   5  10.917   9.893  -0.264
   33    HB2  LYS   5           HB2      LYS   5  10.446   7.617  -0.597
   34    HB3  LYS   5           HB3      LYS   5   8.826   7.725   0.107
   35    HG2  LYS   5           HG2      LYS   5   7.942   8.857  -1.782
   36    HG3  LYS   5           HG3      LYS   5   9.538   9.150  -2.485
   37    HD2  LYS   5           HD2      LYS   5   9.851   6.895  -3.082
   38    HD3  LYS   5           HD3      LYS   5   8.590   6.301  -2.005
   39    HE2  LYS   5           HE2      LYS   5   7.937   8.147  -4.341
   40    HE3  LYS   5           HE3      LYS   5   8.126   6.394  -4.572
   41    HZ1  LYS   5           HZ1      LYS   5   5.824   6.759  -4.185
   42    HZ2  LYS   5           HZ2      LYS   5   6.376   6.137  -2.775
   43    HZ3  LYS   5           HZ3      LYS   5   6.087   7.764  -2.928
   44    H    THR   6           H        THR   6   7.659   9.741   1.218
   45    HA   THR   6           HA       THR   6   5.879  11.059   1.220
   46    HB   THR   6           HB       THR   6   7.757  13.339   0.536
   47    HG1  THR   6           HG1      THR   6   7.982  13.504   2.768
   48   HG21  THR   6          HG21      THR   6   5.019  13.305   1.887
   49   HG22  THR   6          HG22      THR   6   6.091  14.722   1.753
   50   HG23  THR   6          HG23      THR   6   5.414  13.995   0.295
   51    H    THR   7           H        THR   7   7.777  11.853  -1.731
   52    HA   THR   7           HA       THR   7   5.487  12.767  -3.176
   53    HB   THR   7           HB       THR   7   7.158  12.651  -5.104
   54    HG1  THR   7           HG1      THR   7   9.292  12.095  -4.539
   55   HG21  THR   7          HG21      THR   7   8.338  14.008  -2.653
   56   HG22  THR   7          HG22      THR   7   8.381  14.542  -4.355
   57   HG23  THR   7          HG23      THR   7   6.872  14.601  -3.446
   58    H    ASN   8           H        ASN   8   4.984  11.860  -5.369
   59    HA   ASN   8           HA       ASN   8   4.973   8.853  -5.492
   60    HB2  ASN   8           HB2      ASN   8   2.765  10.720  -6.455
   61    HB3  ASN   8           HB3      ASN   8   2.844   8.975  -6.705
   62   HD21  ASN   8          HD22      ASN   8   3.049   7.640  -4.506
   63   HD22  ASN   8          HD21      ASN   8   1.934   8.178  -3.277
   64    H    THR   9           H        THR   9   5.882   8.126  -7.326
   65    HA   THR   9           HA       THR   9   6.489  10.131  -9.419
   66    HB   THR   9           HB       THR   9   8.243   7.868  -8.427
   67    HG1  THR   9           HG1      THR   9   9.517   9.466  -7.613
   68   HG21  THR   9          HG21      THR   9   9.940   8.678 -10.010
   69   HG22  THR   9          HG22      THR   9   8.490   8.130 -10.872
   70   HG23  THR   9          HG23      THR   9   8.782   9.843 -10.684
   71    H    TRP  10           H        TRP  10   6.224   9.426 -11.527
   72    HA   TRP  10           HA       TRP  10   5.277   6.663 -12.039
   73    HB2  TRP  10           HB2      TRP  10   3.866   9.223 -12.935
   74    HB3  TRP  10           HB3      TRP  10   3.477   7.604 -13.482
   75    HD1  TRP  10           HD1      TRP  10   2.341   5.978 -11.758
   76    HE1  TRP  10           HE1      TRP  10   0.795   6.375  -9.759
   77    HE3  TRP  10           HE3      TRP  10   3.429  10.864 -10.961
   78    HZ2  TRP  10           HZ2      TRP  10   0.042   8.642  -8.068
   79    HZ3  TRP  10           HZ3      TRP  10   2.176  12.186  -9.287
   80    HH2  TRP  10           HH2      TRP  10   0.474  11.088  -7.827
   81    H    VAL  11           H        VAL  11   5.588   6.064 -14.202
   82    HA   VAL  11           HA       VAL  11   7.315   7.806 -15.819
   83    HB   VAL  11           HB       VAL  11   7.258   4.860 -15.791
   84   HG11  VAL  11          HG11      VAL  11   9.118   6.841 -17.197
   85   HG12  VAL  11          HG12      VAL  11   9.332   5.076 -17.204
   86   HG13  VAL  11          HG13      VAL  11   7.925   5.789 -17.994
   87   HG21  VAL  11          HG21      VAL  11   9.274   6.739 -14.515
   88   HG22  VAL  11          HG22      VAL  11   8.248   5.532 -13.705
   89   HG23  VAL  11          HG23      VAL  11   9.552   4.997 -14.770
   90    H    LEU  12           H        LEU  12   6.506   8.299 -17.825
   91    HA   LEU  12           HA       LEU  12   4.072   6.837 -18.785
   92    HB2  LEU  12           HB2      LEU  12   4.790   9.779 -19.096
   93    HB3  LEU  12           HB3      LEU  12   3.420   8.959 -19.848
   94    HG   LEU  12           HG       LEU  12   3.780   9.373 -16.861
   95   HD11  LEU  12          HD11      LEU  12   1.935  10.998 -17.157
   96   HD12  LEU  12          HD12      LEU  12   3.331  11.444 -18.139
   97   HD13  LEU  12          HD13      LEU  12   1.921  10.684 -18.901
   98   HD21  LEU  12          HD21      LEU  12   1.500   8.155 -18.493
   99   HD22  LEU  12          HD22      LEU  12   2.557   7.276 -17.383
  100   HD23  LEU  12          HD23      LEU  12   1.475   8.509 -16.739
  101    H    HIS  13           H        HIS  13   4.755   5.569 -20.352
  102    HA   HIS  13           HA       HIS  13   6.862   6.464 -22.164
  103    HB2  HIS  13           HB2      HIS  13   6.775   4.081 -21.494
  104    HB3  HIS  13           HB3      HIS  13   5.167   3.934 -22.194
  105    HD1  HIS  13           HD1      HIS  13   8.007   5.732 -24.127
  106    HD2  HIS  13           HD2      HIS  13   5.872   2.098 -23.976
  107    HE1  HIS  13           HE1      HIS  13   8.664   4.421 -26.208
  108    H    MET  14           H        MET  14   6.256   7.921 -23.772
  109    HA   MET  14           HA       MET  14   3.696   7.652 -25.136
  110    HB2  MET  14           HB2      MET  14   4.449  10.226 -23.678
  111    HB3  MET  14           HB3      MET  14   3.086  10.024 -24.778
  112    HG2  MET  14           HG2      MET  14   2.152   8.298 -23.209
  113    HG3  MET  14           HG3      MET  14   3.454   8.677 -22.086
  114    HE1  MET  14           HE1      MET  14   3.416  12.083 -22.627
  115    HE2  MET  14           HE2      MET  14   2.532  12.443 -21.133
  116    HE3  MET  14           HE3      MET  14   3.817  11.216 -21.121
  117    H    ASP  15           H        ASP  15   3.847   8.419 -27.235
  118    HA   ASP  15           HA       ASP  15   4.874   8.900 -29.166
  119    HB2  ASP  15           HB2      ASP  15   4.204  11.100 -28.273
  120    HB3  ASP  15           HB3      ASP  15   5.830  11.326 -27.624
  121    H    GLY  16           H        GLY  16   6.361   7.041 -27.703
  122    HA2  GLY  16           HA2      GLY  16   8.311   5.867 -28.045
  123    HA3  GLY  16           HA3      GLY  16   8.901   7.171 -29.081
  124    H    GLU  17           H        GLU  17   8.118   8.834 -26.348
  125    HA   GLU  17           HA       GLU  17  10.809   8.654 -25.225
  126    HB2  GLU  17           HB2      GLU  17   8.796  10.804 -25.544
  127    HB3  GLU  17           HB3      GLU  17   9.440  10.728 -23.917
  128    HG2  GLU  17           HG2      GLU  17  11.060  10.966 -26.464
  129    HG3  GLU  17           HG3      GLU  17  10.749  12.240 -25.273
  130    H    ASN  18           H        ASN  18  10.780   9.133 -22.788
  131    HA   ASN  18           HA       ASN  18   8.645   7.718 -21.345
  132    HB2  ASN  18           HB2      ASN  18  11.578   7.018 -21.170
  133    HB3  ASN  18           HB3      ASN  18  10.556   6.944 -19.737
  134   HD21  ASN  18          HD22      ASN  18  11.092   5.473 -22.942
  135   HD22  ASN  18          HD21      ASN  18  10.039   4.107 -22.670
  136    H    PHE  19           H        PHE  19   7.792   9.292 -20.187
  137    HA   PHE  19           HA       PHE  19   9.487  11.576 -19.285
  138    HB2  PHE  19           HB2      PHE  19   6.464  11.283 -19.415
  139    HB3  PHE  19           HB3      PHE  19   7.347  12.713 -18.900
  140    HD1  PHE  19           HD2      PHE  19   8.528  14.136 -20.515
  141    HD2  PHE  19           HD1      PHE  19   6.336  10.651 -21.802
  142    HE1  PHE  19           HE2      PHE  19   8.711  14.890 -22.879
  143    HE2  PHE  19           HE1      PHE  19   6.507  11.422 -24.155
  144    HZ   PHE  19           HZ       PHE  19   7.721  13.503 -24.704
  145    H    ARG  20           H        ARG  20   9.974  11.767 -17.139
  146    HA   ARG  20           HA       ARG  20   8.643   9.948 -15.224
  147    HB2  ARG  20           HB2      ARG  20  11.176  11.600 -15.014
  148    HB3  ARG  20           HB3      ARG  20  10.307  10.989 -13.598
  149    HG2  ARG  20           HG2      ARG  20  10.334   8.743 -15.201
  150    HG3  ARG  20           HG3      ARG  20  11.888   9.475 -15.627
  151    HD2  ARG  20           HD2      ARG  20  10.825   8.837 -12.850
  152    HD3  ARG  20           HD3      ARG  20  11.979   7.824 -13.717
  153    HE   ARG  20           HE       ARG  20  12.496  10.318 -12.275
  154   HH11  ARG  20          HH11      ARG  20  13.842   8.100 -14.726
  155   HH12  ARG  20          HH12      ARG  20  15.467   8.640 -14.507
  156   HH21  ARG  20          HH22      ARG  20  14.656  11.035 -12.013
  157   HH22  ARG  20          HH21      ARG  20  15.937  10.337 -12.935
  158    H    ILE  21           H        ILE  21   7.302  10.648 -13.769
  159    HA   ILE  21           HA       ILE  21   6.598  13.516 -13.697
  160    HB   ILE  21           HB       ILE  21   4.810  11.104 -13.314
  161   HG12  ILE  21          HG12      ILE  21   5.333  11.517 -15.645
  162   HG13  ILE  21          HG13      ILE  21   3.629  11.768 -15.299
  163   HG21  ILE  21          HG21      ILE  21   2.917  12.627 -13.021
  164   HG22  ILE  21          HG22      ILE  21   4.092  12.904 -11.735
  165   HG23  ILE  21          HG23      ILE  21   4.020  14.019 -13.113
  166   HD11  ILE  21          HD11      ILE  21   3.936  14.203 -15.436
  167   HD12  ILE  21          HD12      ILE  21   5.692  13.991 -15.627
  168   HD13  ILE  21          HD13      ILE  21   4.602  13.409 -16.879
  169    H    VAL  22           H        VAL  22   6.829  14.355 -11.544
  170    HA   VAL  22           HA       VAL  22   6.607  12.412  -9.362
  171    HB   VAL  22           HB       VAL  22   8.675  14.635  -9.451
  172   HG11  VAL  22          HG11      VAL  22   8.158  12.416  -7.406
  173   HG12  VAL  22          HG12      VAL  22   9.481  13.605  -7.335
  174   HG13  VAL  22          HG13      VAL  22   7.807  14.144  -7.157
  175   HG21  VAL  22          HG21      VAL  22   9.106  11.639  -9.595
  176   HG22  VAL  22          HG22      VAL  22   9.369  12.797 -10.926
  177   HG23  VAL  22          HG23      VAL  22  10.376  12.863  -9.472
  178    H    LEU  23           H        LEU  23   4.938  13.012  -8.136
  179    HA   LEU  23           HA       LEU  23   3.899  15.812  -8.190
  180    HB2  LEU  23           HB2      LEU  23   2.190  14.197  -8.298
  181    HB3  LEU  23           HB3      LEU  23   2.978  13.126  -7.146
  182    HG   LEU  23           HG       LEU  23   2.512  14.805  -5.299
  183   HD11  LEU  23          HD11      LEU  23   2.088  16.845  -6.591
  184   HD12  LEU  23          HD12      LEU  23   0.663  16.085  -7.343
  185   HD13  LEU  23          HD13      LEU  23   0.703  16.416  -5.595
  186   HD21  LEU  23          HD21      LEU  23   1.230  12.799  -5.483
  187   HD22  LEU  23          HD22      LEU  23   0.191  14.139  -5.000
  188   HD23  LEU  23          HD23      LEU  23   0.156  13.542  -6.681
  189    H    GLU  24           H        GLU  24   4.638  17.231  -6.630
  190    HA   GLU  24           HA       GLU  24   5.818  16.174  -4.147
  191    HB2  GLU  24           HB2      GLU  24   6.374  18.485  -5.839
  192    HB3  GLU  24           HB3      GLU  24   5.998  19.004  -4.191
  193    HG2  GLU  24           HG2      GLU  24   7.961  16.827  -4.903
  194    HG3  GLU  24           HG3      GLU  24   8.407  18.518  -4.673
  195    H    LYS  25           H        LYS  25   4.459  15.904  -2.506
  196    HA   LYS  25           HA       LYS  25   1.694  16.691  -2.772
  197    HB2  LYS  25           HB2      LYS  25   3.262  15.478  -0.459
  198    HB3  LYS  25           HB3      LYS  25   1.519  15.764  -0.426
  199    HG2  LYS  25           HG2      LYS  25   1.173  14.289  -2.351
  200    HG3  LYS  25           HG3      LYS  25   2.922  13.986  -2.468
  201    HD2  LYS  25           HD2      LYS  25   2.923  13.076  -0.169
  202    HD3  LYS  25           HD3      LYS  25   1.183  13.372  -0.029
  203    HE2  LYS  25           HE2      LYS  25   0.637  11.714  -1.643
  204    HE3  LYS  25           HE3      LYS  25   2.291  11.651  -2.272
  205    HZ1  LYS  25           HZ1      LYS  25   3.041  10.598  -0.316
  206    HZ2  LYS  25           HZ2      LYS  25   1.621  10.795   0.494
  207    HZ3  LYS  25           HZ3      LYS  25   1.708   9.753  -0.785
  208    H    ASP  26           H        ASP  26   4.459  18.218  -1.184
  209    HA   ASP  26           HA       ASP  26   3.114  19.630   0.843
  210    HB2  ASP  26           HB2      ASP  26   5.551  19.425   0.727
  211    HB3  ASP  26           HB3      ASP  26   5.589  20.403  -0.746
  212    H    ALA  27           H        ALA  27   3.628  20.497  -2.572
  213    HA   ALA  27           HA       ALA  27   1.856  22.830  -2.251
  214    HB1  ALA  27           HB1      ALA  27   4.097  22.344  -4.258
  215    HB2  ALA  27           HB2      ALA  27   3.084  23.802  -4.160
  216    HB3  ALA  27           HB3      ALA  27   4.188  23.403  -2.830
  217    H    MET  28           H        MET  28   1.896  19.676  -3.514
  218    HA   MET  28           HA       MET  28   0.924  18.557  -5.108
  219    HB2  MET  28           HB2      MET  28  -1.287  20.633  -5.058
  220    HB3  MET  28           HB3      MET  28  -1.340  19.062  -5.864
  221    HG2  MET  28           HG2      MET  28  -0.822  17.998  -3.600
  222    HG3  MET  28           HG3      MET  28  -1.085  19.589  -2.888
  223    HE1  MET  28           HE1      MET  28  -4.298  16.795  -4.707
  224    HE2  MET  28           HE2      MET  28  -2.960  17.399  -5.704
  225    HE3  MET  28           HE3      MET  28  -2.631  16.338  -4.313
  226    H    ASP  29           H        ASP  29   3.012  20.249  -5.761
  227    HA   ASP  29           HA       ASP  29   2.511  21.296  -8.472
  228    HB2  ASP  29           HB2      ASP  29   4.145  22.503  -7.023
  229    HB3  ASP  29           HB3      ASP  29   5.118  21.016  -6.918
  230    H    VAL  30           H        VAL  30   3.480  20.196 -10.311
  231    HA   VAL  30           HA       VAL  30   4.387  17.433  -9.749
  232    HB   VAL  30           HB       VAL  30   2.401  18.210 -11.892
  233   HG11  VAL  30          HG11      VAL  30   2.346  15.795 -12.390
  234   HG12  VAL  30          HG12      VAL  30   3.958  16.469 -12.666
  235   HG13  VAL  30          HG13      VAL  30   3.638  15.525 -11.190
  236   HG21  VAL  30          HG21      VAL  30   0.818  16.795 -10.771
  237   HG22  VAL  30          HG22      VAL  30   1.986  16.441  -9.468
  238   HG23  VAL  30          HG23      VAL  30   1.314  18.074  -9.674
  239    H    TRP  31           H        TRP  31   6.366  17.261 -10.364
  240    HA   TRP  31           HA       TRP  31   7.586  18.973 -12.372
  241    HB2  TRP  31           HB2      TRP  31   8.836  16.556 -11.039
  242    HB3  TRP  31           HB3      TRP  31   9.612  18.006 -11.624
  243    HD1  TRP  31           HD1      TRP  31   8.075  16.450  -8.555
  244    HE1  TRP  31           HE1      TRP  31   8.489  17.890  -6.511
  245    HE3  TRP  31           HE3      TRP  31   9.642  20.655 -10.888
  246    HZ2  TRP  31           HZ2      TRP  31   9.530  20.528  -5.917
  247    HZ3  TRP  31           HZ3      TRP  31  10.445  22.629  -9.555
  248    HH2  TRP  31           HH2      TRP  31  10.382  22.562  -7.078
  249    H    CYS  32           H        CYS  32   7.635  18.328 -14.545
  250    HA   CYS  32           HA       CYS  32   7.491  15.403 -15.157
  251    HB2  CYS  32           HB2      CYS  32   5.587  16.617 -16.099
  252    HB3  CYS  32           HB3      CYS  32   6.695  17.775 -16.893
  253    HG   CYS  32           HG       CYS  32   5.762  16.172 -18.721
  254    H    ASN  33           H        ASN  33   9.413  14.616 -15.791
  255    HA   ASN  33           HA       ASN  33  11.680  14.574 -15.938
  256    HB2  ASN  33           HB2      ASN  33  10.964  16.317 -18.317
  257    HB3  ASN  33           HB3      ASN  33  12.595  15.730 -18.032
  258   HD21  ASN  33          HD22      ASN  33  11.737  14.906 -20.370
  259   HD22  ASN  33          HD21      ASN  33  11.255  13.226 -20.316
  260    H    GLY  34           H        GLY  34  10.924  16.249 -13.889
  261    HA2  GLY  34           HA2      GLY  34  12.034  17.552 -12.363
  262    HA3  GLY  34           HA3      GLY  34  13.351  17.757 -13.517
  263    H    LYS  35           H        LYS  35  10.686  18.830 -15.247
  264    HA   LYS  35           HA       LYS  35  11.108  21.657 -14.386
  265    HB2  LYS  35           HB2      LYS  35   9.830  20.542 -16.928
  266    HB3  LYS  35           HB3      LYS  35  10.131  22.239 -16.569
  267    HG2  LYS  35           HG2      LYS  35  12.238  20.083 -17.032
  268    HG3  LYS  35           HG3      LYS  35  11.764  21.359 -18.151
  269    HD2  LYS  35           HD2      LYS  35  12.576  23.076 -16.536
  270    HD3  LYS  35           HD3      LYS  35  13.142  21.778 -15.462
  271    HE2  LYS  35           HE2      LYS  35  14.612  20.911 -17.257
  272    HE3  LYS  35           HE3      LYS  35  14.048  22.186 -18.347
  273    HZ1  LYS  35           HZ1      LYS  35  16.166  22.765 -17.333
  274    HZ2  LYS  35           HZ2      LYS  35  15.026  23.825 -16.844
  275    HZ3  LYS  35           HZ3      LYS  35  15.547  22.647 -15.826
  276    H    LYS  36           H        LYS  36   9.294  22.907 -13.659
  277    HA   LYS  36           HA       LYS  36   7.054  21.384 -12.657
  278    HB2  LYS  36           HB2      LYS  36   7.337  24.390 -13.056
  279    HB3  LYS  36           HB3      LYS  36   6.139  23.596 -12.032
  280    HG2  LYS  36           HG2      LYS  36   7.629  23.191 -10.316
  281    HG3  LYS  36           HG3      LYS  36   9.007  22.993 -11.389
  282    HD2  LYS  36           HD2      LYS  36   9.312  24.972 -10.080
  283    HD3  LYS  36           HD3      LYS  36   9.132  25.369 -11.800
  284    HE2  LYS  36           HE2      LYS  36   6.756  26.026 -11.390
  285    HE3  LYS  36           HE3      LYS  36   6.909  25.552  -9.693
  286    HZ1  LYS  36           HZ1      LYS  36   7.163  27.940  -9.971
  287    HZ2  LYS  36           HZ2      LYS  36   8.562  27.315  -9.412
  288    HZ3  LYS  36           HZ3      LYS  36   8.429  27.756 -10.985
  289    H    LEU  37           H        LEU  37   4.929  21.266 -13.516
  290    HA   LEU  37           HA       LEU  37   4.417  22.725 -16.014
  291    HB2  LEU  37           HB2      LEU  37   3.021  20.951 -16.891
  292    HB3  LEU  37           HB3      LEU  37   4.737  20.585 -16.785
  293    HG   LEU  37           HG       LEU  37   4.372  19.244 -14.810
  294   HD11  LEU  37          HD11      LEU  37   2.012  18.386 -14.333
  295   HD12  LEU  37          HD12      LEU  37   2.351  20.020 -13.764
  296   HD13  LEU  37          HD13      LEU  37   1.420  19.779 -15.262
  297   HD21  LEU  37          HD21      LEU  37   2.603  18.440 -17.162
  298   HD22  LEU  37          HD22      LEU  37   4.369  18.287 -17.107
  299   HD23  LEU  37          HD23      LEU  37   3.364  17.330 -15.998
  300    H    GLU  38           H        GLU  38   2.028  22.940 -16.418
  301    HA   GLU  38           HA       GLU  38   0.992  24.343 -14.138
  302    HB2  GLU  38           HB2      GLU  38  -0.754  25.096 -15.647
  303    HB3  GLU  38           HB3      GLU  38   0.843  25.294 -16.373
  304    HG2  GLU  38           HG2      GLU  38   0.455  23.133 -17.657
  305    HG3  GLU  38           HG3      GLU  38  -1.190  23.107 -17.024
  306    H    THR  39           H        THR  39  -0.950  23.937 -13.028
  307    HA   THR  39           HA       THR  39  -2.319  21.336 -13.430
  308    HB   THR  39           HB       THR  39  -2.251  21.211 -10.836
  309    HG1  THR  39           HG1      THR  39  -1.007  23.057 -10.384
  310   HG21  THR  39          HG21      THR  39  -1.370  19.503 -12.359
  311   HG22  THR  39          HG22      THR  39   0.157  20.401 -12.517
  312   HG23  THR  39          HG23      THR  39  -0.315  19.709 -10.950
  313    H    ALA  40           H        ALA  40  -4.416  21.271 -12.666
  314    HA   ALA  40           HA       ALA  40  -5.577  23.670 -11.364
  315    HB1  ALA  40           HB1      ALA  40  -7.621  23.414 -12.747
  316    HB2  ALA  40           HB2      ALA  40  -6.222  23.835 -13.760
  317    HB3  ALA  40           HB3      ALA  40  -6.820  22.156 -13.713
  318    H    GLY  41           H        GLY  41  -7.178  22.987  -9.775
  319    HA2  GLY  41           HA2      GLY  41  -7.078  20.052  -9.173
  320    HA3  GLY  41           HA3      GLY  41  -6.950  21.329  -7.956
  321    H    GLU  42           H        GLU  42  -9.087  19.381  -9.778
  322    HA   GLU  42           HA       GLU  42 -11.408  21.037  -9.006
  323    HB2  GLU  42           HB2      GLU  42 -11.020  18.861 -11.066
  324    HB3  GLU  42           HB3      GLU  42 -12.608  19.035 -10.298
  325    HG2  GLU  42           HG2      GLU  42 -12.648  21.430 -10.852
  326    HG3  GLU  42           HG3      GLU  42 -11.087  21.279 -11.680
  327    H    PHE  43           H        PHE  43 -13.090  20.008  -7.767
  328    HA   PHE  43           HA       PHE  43 -12.125  17.733  -6.080
  329    HB2  PHE  43           HB2      PHE  43 -11.920  19.924  -4.906
  330    HB3  PHE  43           HB3      PHE  43 -13.654  20.170  -5.132
  331    HD1  PHE  43           HD1      PHE  43 -11.126  17.880  -3.568
  332    HD2  PHE  43           HD2      PHE  43 -15.230  19.221  -3.592
  333    HE1  PHE  43           HE1      PHE  43 -11.558  16.602  -1.486
  334    HE2  PHE  43           HE2      PHE  43 -15.655  17.943  -1.504
  335    HZ   PHE  43           HZ       PHE  43 -13.822  16.642  -0.443
  336    H    VAL  44           H        VAL  44 -13.587  16.150  -5.714
  337    HA   VAL  44           HA       VAL  44 -16.401  16.557  -6.487
  338    HB   VAL  44           HB       VAL  44 -16.147  14.043  -7.191
  339   HG11  VAL  44          HG11      VAL  44 -16.842  15.833  -8.643
  340   HG12  VAL  44          HG12      VAL  44 -15.143  16.283  -8.967
  341   HG13  VAL  44          HG13      VAL  44 -15.783  14.708  -9.509
  342   HG21  VAL  44          HG21      VAL  44 -13.824  13.722  -6.483
  343   HG22  VAL  44          HG22      VAL  44 -14.082  13.358  -8.197
  344   HG23  VAL  44          HG23      VAL  44 -13.277  14.866  -7.732
  345    H    ASP  45           H        ASP  45 -17.763  14.762  -5.625
  346    HA   ASP  45           HA       ASP  45 -17.280  14.436  -2.784
  347    HB2  ASP  45           HB2      ASP  45 -19.501  15.028  -3.630
  348    HB3  ASP  45           HB3      ASP  45 -19.581  13.502  -4.515
  349    H    ASP  46           H        ASP  46 -15.268  13.300  -3.849
  350    HA   ASP  46           HA       ASP  46 -15.343  10.419  -3.364
  351    HB2  ASP  46           HB2      ASP  46 -16.061  10.439  -5.700
  352    HB3  ASP  46           HB3      ASP  46 -14.801  11.594  -6.123
  353    H    GLY  47           H        GLY  47 -13.581  13.404  -4.400
  354    HA2  GLY  47           HA2      GLY  47 -11.421  13.292  -2.719
  355    HA3  GLY  47           HA3      GLY  47 -10.984  12.256  -4.090
  356    H    THR  48           H        THR  48  -9.380  13.718  -4.799
  357    HA   THR  48           HA       THR  48 -10.399  16.239  -6.012
  358    HB   THR  48           HB       THR  48  -7.539  15.909  -5.174
  359    HG1  THR  48           HG1      THR  48  -8.680  15.550  -3.242
  360   HG21  THR  48          HG21      THR  48  -8.084  17.866  -6.549
  361   HG22  THR  48          HG22      THR  48  -9.323  18.363  -5.372
  362   HG23  THR  48          HG23      THR  48  -7.605  18.358  -4.919
  363    H    GLU  49           H        GLU  49  -9.532  16.726  -8.051
  364    HA   GLU  49           HA       GLU  49  -7.958  14.628  -9.408
  365    HB2  GLU  49           HB2      GLU  49 -10.336  16.159 -10.508
  366    HB3  GLU  49           HB3      GLU  49  -9.226  15.171 -11.479
  367    HG2  GLU  49           HG2      GLU  49  -9.844  13.157 -10.247
  368    HG3  GLU  49           HG3      GLU  49 -10.895  14.084  -9.174
  369    H    THR  50           H        THR  50  -5.977  15.582  -9.596
  370    HA   THR  50           HA       THR  50  -5.803  18.502 -10.154
  371    HB   THR  50           HB       THR  50  -3.735  16.458  -9.322
  372    HG1  THR  50           HG1      THR  50  -5.127  17.285  -7.686
  373   HG21  THR  50          HG21      THR  50  -3.375  19.359 -10.163
  374   HG22  THR  50          HG22      THR  50  -2.211  18.481  -9.130
  375   HG23  THR  50          HG23      THR  50  -2.535  17.916 -10.772
  376    H    HIS  51           H        HIS  51  -6.128  18.867 -12.301
  377    HA   HIS  51           HA       HIS  51  -5.467  16.802 -14.300
  378    HB2  HIS  51           HB2      HIS  51  -6.960  19.447 -14.487
  379    HB3  HIS  51           HB3      HIS  51  -6.669  18.366 -15.844
  380    HD1  HIS  51           HD1      HIS  51  -8.231  16.198 -16.019
  381    HD2  HIS  51           HD2      HIS  51  -8.834  18.669 -12.657
  382    HE1  HIS  51           HE1      HIS  51 -10.398  15.422 -14.931
  383    H    PHE  52           H        PHE  52  -4.051  17.129 -16.019
  384    HA   PHE  52           HA       PHE  52  -2.912  19.690 -16.634
  385    HB2  PHE  52           HB2      PHE  52  -0.546  19.038 -16.393
  386    HB3  PHE  52           HB3      PHE  52  -1.372  19.199 -14.868
  387    HD1  PHE  52           HD1      PHE  52  -1.902  17.263 -13.452
  388    HD2  PHE  52           HD2      PHE  52   0.440  16.875 -17.063
  389    HE1  PHE  52           HE1      PHE  52  -0.948  15.155 -12.604
  390    HE2  PHE  52           HE2      PHE  52   1.384  14.731 -16.180
  391    HZ   PHE  52           HZ       PHE  52   0.722  13.898 -13.956
  392    H    SER  53           H        SER  53  -1.055  19.058 -18.485
  393    HA   SER  53           HA       SER  53  -1.845  16.710 -20.008
  394    HB2  SER  53           HB2      SER  53  -2.016  19.479 -21.277
  395    HB3  SER  53           HB3      SER  53  -2.260  17.924 -22.091
  396    HG   SER  53           HG       SER  53  -4.246  19.026 -21.483
  397    H    ILE  54           H        ILE  54  -0.260  16.158 -21.566
  398    HA   ILE  54           HA       ILE  54   2.297  17.684 -21.603
  399    HB   ILE  54           HB       ILE  54   1.870  14.725 -21.002
  400   HG12  ILE  54          HG12      ILE  54   3.597  16.656 -19.400
  401   HG13  ILE  54          HG13      ILE  54   1.867  16.587 -19.111
  402   HG21  ILE  54          HG21      ILE  54   4.375  14.516 -21.025
  403   HG22  ILE  54          HG22      ILE  54   3.719  14.897 -22.614
  404   HG23  ILE  54          HG23      ILE  54   4.487  16.173 -21.649
  405   HD11  ILE  54          HD11      ILE  54   1.916  14.247 -18.556
  406   HD12  ILE  54          HD12      ILE  54   3.671  14.171 -18.884
  407   HD13  ILE  54          HD13      ILE  54   3.045  15.180 -17.558
  408    H    GLY  55           H        GLY  55   2.338  18.276 -23.732
  409    HA2  GLY  55           HA2      GLY  55   1.977  18.234 -26.012
  410    HA3  GLY  55           HA3      GLY  55   2.112  16.468 -25.932
  411    H    ASN  56           H        ASN  56   0.322  15.690 -26.959
  412    HA   ASN  56           HA       ASN  56  -2.289  16.979 -26.758
  413    HB2  ASN  56           HB2      ASN  56  -1.400  15.913 -28.842
  414    HB3  ASN  56           HB3      ASN  56  -1.467  14.341 -28.041
  415   HD21  ASN  56          HD22      ASN  56  -3.245  13.216 -28.879
  416   HD22  ASN  56          HD21      ASN  56  -4.813  13.927 -29.181
  417    H    HIS  57           H        HIS  57  -0.645  14.876 -24.625
  418    HA   HIS  57           HA       HIS  57  -2.930  13.078 -24.130
  419    HB2  HIS  57           HB2      HIS  57  -0.212  13.129 -22.772
  420    HB3  HIS  57           HB3      HIS  57  -1.408  11.841 -22.734
  421    HD1  HIS  57           HD1      HIS  57  -1.743  10.542 -25.248
  422    HD2  HIS  57           HD2      HIS  57   1.575  13.075 -24.676
  423    HE1  HIS  57           HE1      HIS  57  -0.098  10.012 -27.118
  424    H    ASP  58           H        ASP  58  -4.454  13.680 -22.613
  425    HA   ASP  58           HA       ASP  58  -3.710  15.695 -20.581
  426    HB2  ASP  58           HB2      ASP  58  -5.847  16.111 -20.127
  427    HB3  ASP  58           HB3      ASP  58  -5.962  15.761 -21.845
  428    H    CYS  59           H        CYS  59  -3.865  15.306 -18.401
  429    HA   CYS  59           HA       CYS  59  -3.690  12.500 -17.475
  430    HB2  CYS  59           HB2      CYS  59  -1.792  14.674 -16.590
  431    HB3  CYS  59           HB3      CYS  59  -1.657  12.931 -16.351
  432    HG   CYS  59           HG       CYS  59  -1.461  14.721 -19.104
  433    H    TYR  60           H        TYR  60  -4.244  12.320 -15.166
  434    HA   TYR  60           HA       TYR  60  -4.458  14.799 -13.740
  435    HB2  TYR  60           HB2      TYR  60  -6.711  14.617 -12.962
  436    HB3  TYR  60           HB3      TYR  60  -6.676  14.696 -14.712
  437    HD1  TYR  60           HD1      TYR  60  -7.011  12.227 -11.890
  438    HD2  TYR  60           HD2      TYR  60  -7.897  13.176 -15.998
  439    HE1  TYR  60           HE1      TYR  60  -8.553  10.297 -12.003
  440    HE2  TYR  60           HE2      TYR  60  -9.581  11.357 -16.064
  441    HH   TYR  60           HH       TYR  60 -10.584   9.587 -14.883
  442    H    ILE  61           H        ILE  61  -4.099  14.555 -11.539
  443    HA   ILE  61           HA       ILE  61  -3.460  11.787 -10.661
  444    HB   ILE  61           HB       ILE  61  -2.931  14.483  -9.409
  445   HG12  ILE  61          HG12      ILE  61  -0.898  12.325 -10.097
  446   HG13  ILE  61          HG13      ILE  61  -1.489  13.410 -11.348
  447   HG21  ILE  61          HG21      ILE  61  -3.523  12.897  -7.596
  448   HG22  ILE  61          HG22      ILE  61  -2.336  11.727  -8.217
  449   HG23  ILE  61          HG23      ILE  61  -1.819  13.298  -7.557
  450   HD11  ILE  61          HD11      ILE  61  -0.077  14.278  -8.805
  451   HD12  ILE  61          HD12      ILE  61   0.560  14.316 -10.459
  452   HD13  ILE  61          HD13      ILE  61  -0.792  15.379 -10.004
  453    H    LYS  62           H        LYS  62  -5.035  10.676  -9.706
  454    HA   LYS  62           HA       LYS  62  -7.477  12.042  -8.712
  455    HB2  LYS  62           HB2      LYS  62  -7.298   9.830 -10.241
  456    HB3  LYS  62           HB3      LYS  62  -7.047   9.037  -8.690
  457    HG2  LYS  62           HG2      LYS  62  -9.218   9.982  -7.890
  458    HG3  LYS  62           HG3      LYS  62  -9.424  10.816  -9.440
  459    HD2  LYS  62           HD2      LYS  62  -9.408   8.630 -10.638
  460    HD3  LYS  62           HD3      LYS  62  -9.229   7.788  -9.082
  461    HE2  LYS  62           HE2      LYS  62 -11.378   8.774  -8.298
  462    HE3  LYS  62           HE3      LYS  62 -11.551   9.635  -9.835
  463    HZ1  LYS  62           HZ1      LYS  62 -12.851   7.597  -9.805
  464    HZ2  LYS  62           HZ2      LYS  62 -11.706   7.484 -10.962
  465    HZ3  LYS  62           HZ3      LYS  62 -11.532   6.677  -9.539
  466    H    ALA  63           H        ALA  63  -7.469  12.525  -6.575
  467    HA   ALA  63           HA       ALA  63  -5.626  11.071  -4.752
  468    HB1  ALA  63           HB1      ALA  63  -6.513  13.978  -4.675
  469    HB2  ALA  63           HB2      ALA  63  -5.491  13.161  -3.481
  470    HB3  ALA  63           HB3      ALA  63  -4.896  13.388  -5.131
  471    H    VAL  64           H        VAL  64  -7.130   9.554  -4.091
  472    HA   VAL  64           HA       VAL  64  -9.915  10.324  -3.755
  473    HB   VAL  64           HB       VAL  64  -8.887   7.526  -3.194
  474   HG11  VAL  64          HG11      VAL  64 -11.025   6.891  -4.205
  475   HG12  VAL  64          HG12      VAL  64 -11.290   8.102  -2.942
  476   HG13  VAL  64          HG13      VAL  64 -11.348   8.581  -4.649
  477   HG21  VAL  64          HG21      VAL  64  -9.046   6.938  -5.604
  478   HG22  VAL  64          HG22      VAL  64  -9.133   8.667  -6.005
  479   HG23  VAL  64          HG23      VAL  64  -7.673   7.973  -5.237
  480    H    SER  65           H        SER  65 -10.776  10.805  -1.709
  481    HA   SER  65           HA       SER  65  -9.127  10.533   0.642
  482    HB2  SER  65           HB2      SER  65 -11.997  11.489   0.434
  483    HB3  SER  65           HB3      SER  65 -10.826  11.835   1.721
  484    HG   SER  65           HG       SER  65 -10.949  13.577   0.246
  485    H    SER  66           H        SER  66  -9.440   7.977  -0.257
  486    HA   SER  66           HA       SER  66 -11.727   6.594   0.758
  487    HB2  SER  66           HB2      SER  66  -8.958   5.606  -0.043
  488    HB3  SER  66           HB3      SER  66 -10.403   4.589   0.150
  489    HG   SER  66           HG       SER  66 -11.310   5.571  -1.625
  490    H    GLY  67           H        GLY  67  -8.301   6.784   1.971
  491    HA2  GLY  67           HA2      GLY  67  -9.106   5.689   4.594
  492    HA3  GLY  67           HA3      GLY  67  -7.478   6.123   4.068
  493    H    LYS  68           H        LYS  68  -9.045   6.969   6.509
  494    HA   LYS  68           HA       LYS  68  -9.448   9.873   5.990
  495    HB2  LYS  68           HB2      LYS  68 -10.241   8.270   8.443
  496    HB3  LYS  68           HB3      LYS  68 -10.758   9.898   8.004
  497    HG2  LYS  68           HG2      LYS  68 -11.501   7.300   6.606
  498    HG3  LYS  68           HG3      LYS  68 -12.549   8.328   7.570
  499    HD2  LYS  68           HD2      LYS  68 -12.387  10.132   5.888
  500    HD3  LYS  68           HD3      LYS  68 -11.302   9.128   4.900
  501    HE2  LYS  68           HE2      LYS  68 -13.069   7.378   4.746
  502    HE3  LYS  68           HE3      LYS  68 -14.173   8.430   5.643
  503    HZ1  LYS  68           HZ1      LYS  68 -12.967   9.067   2.994
  504    HZ2  LYS  68           HZ2      LYS  68 -14.517   8.605   3.260
  505    HZ3  LYS  68           HZ3      LYS  68 -13.998  10.047   3.831
  506    H    ARG  69           H        ARG  69  -6.931   7.946   7.126
  507    HA   ARG  69           HA       ARG  69  -5.846   9.839   9.076
  508    HB2  ARG  69           HB2      ARG  69  -4.424   7.675   7.447
  509    HB3  ARG  69           HB3      ARG  69  -3.770   8.513   8.850
  510    HG2  ARG  69           HG2      ARG  69  -6.121   6.575   8.857
  511    HG3  ARG  69           HG3      ARG  69  -4.481   6.270   9.443
  512    HD2  ARG  69           HD2      ARG  69  -4.771   8.018  11.177
  513    HD3  ARG  69           HD3      ARG  69  -6.437   8.289  10.611
  514    HE   ARG  69           HE       ARG  69  -6.149   5.536  11.144
  515   HH11  ARG  69          HH11      ARG  69  -6.197   8.583  12.986
  516   HH12  ARG  69          HH12      ARG  69  -6.830   7.863  14.423
  517   HH21  ARG  69          HH21      ARG  69  -6.996   4.584  13.055
  518   HH22  ARG  69          HH22      ARG  69  -7.297   5.544  14.459
  519    H    LYS  70           H        LYS  70  -3.665  10.909   8.540
  520    HA   LYS  70           HA       LYS  70  -4.028  12.885   6.618
  521    HB2  LYS  70           HB2      LYS  70  -2.517  13.188   8.438
  522    HB3  LYS  70           HB3      LYS  70  -1.525  11.810   7.977
  523    HG2  LYS  70           HG2      LYS  70  -0.492  14.021   7.546
  524    HG3  LYS  70           HG3      LYS  70  -0.557  12.972   6.134
  525    HD2  LYS  70           HD2      LYS  70  -2.375  14.236   5.167
  526    HD3  LYS  70           HD3      LYS  70  -2.583  15.186   6.662
  527    HE2  LYS  70           HE2      LYS  70  -0.264  16.083   6.365
  528    HE3  LYS  70           HE3      LYS  70  -0.102  15.151   4.869
  529    HZ1  LYS  70           HZ1      LYS  70  -2.087  17.315   5.316
  530    HZ2  LYS  70           HZ2      LYS  70  -0.724  17.457   4.438
  531    HZ3  LYS  70           HZ3      LYS  70  -1.914  16.463   3.923
  532    H    GLU  71           H        GLU  71  -1.833  10.023   6.243
  533    HA   GLU  71           HA       GLU  71  -1.707  10.610   3.390
  534    HB2  GLU  71           HB2      GLU  71  -0.244   8.573   5.084
  535    HB3  GLU  71           HB3      GLU  71  -0.029   8.758   3.340
  536    HG2  GLU  71           HG2      GLU  71   0.523  10.925   5.404
  537    HG3  GLU  71           HG3      GLU  71   1.732   9.919   4.619
  538    H    GLY  72           H        GLY  72  -4.200   9.534   4.814
  539    HA2  GLY  72           HA2      GLY  72  -4.712   6.873   3.818
  540    HA3  GLY  72           HA3      GLY  72  -5.853   8.059   4.500
  541    H    ILE  73           H        ILE  73  -4.789  10.039   2.454
  542    HA   ILE  73           HA       ILE  73  -6.764   9.632   0.411
  543    HB   ILE  73           HB       ILE  73  -4.454  11.589   0.684
  544   HG12  ILE  73          HG12      ILE  73  -6.228  13.298   0.861
  545   HG13  ILE  73          HG13      ILE  73  -7.484  12.085   0.699
  546   HG21  ILE  73          HG21      ILE  73  -5.433  12.798  -1.256
  547   HG22  ILE  73          HG22      ILE  73  -4.864  11.203  -1.746
  548   HG23  ILE  73          HG23      ILE  73  -6.598  11.477  -1.498
  549   HD11  ILE  73          HD11      ILE  73  -7.139  12.946   3.014
  550   HD12  ILE  73          HD12      ILE  73  -6.974  11.192   2.902
  551   HD13  ILE  73          HD13      ILE  73  -5.520  12.225   3.008
  552    H    ILE  74           H        ILE  74  -6.524   8.374  -1.440
  553    HA   ILE  74           HA       ILE  74  -3.952   6.978  -1.864
  554    HB   ILE  74           HB       ILE  74  -6.713   6.572  -3.067
  555   HG12  ILE  74          HG12      ILE  74  -6.693   6.023  -0.698
  556   HG13  ILE  74          HG13      ILE  74  -6.882   4.589  -1.689
  557   HG21  ILE  74          HG21      ILE  74  -4.169   4.931  -3.410
  558   HG22  ILE  74          HG22      ILE  74  -5.796   4.397  -3.886
  559   HG23  ILE  74          HG23      ILE  74  -5.072   5.806  -4.665
  560   HD11  ILE  74          HD11      ILE  74  -4.492   3.992  -1.271
  561   HD12  ILE  74          HD12      ILE  74  -4.323   5.451  -0.259
  562   HD13  ILE  74          HD13      ILE  74  -5.420   4.158   0.226
  563    H    HIS  75           H        HIS  75  -2.538   7.969  -3.268
  564    HA   HIS  75           HA       HIS  75  -3.627   9.878  -5.276
  565    HB2  HIS  75           HB2      HIS  75  -0.822   9.437  -4.205
  566    HB3  HIS  75           HB3      HIS  75  -1.208  10.468  -5.583
  567    HD1  HIS  75           HD1      HIS  75  -1.986  10.348  -1.763
  568    HD2  HIS  75           HD2      HIS  75  -2.061  12.884  -5.128
  569    HE1  HIS  75           HE1      HIS  75  -2.445  12.705  -0.897
  570    H    THR  76           H        THR  76  -3.816   9.228  -7.332
  571    HA   THR  76           HA       THR  76  -2.034   7.101  -8.382
  572    HB   THR  76           HB       THR  76  -4.946   7.314  -9.228
  573    HG1  THR  76           HG1      THR  76  -5.134   6.803  -7.064
  574   HG21  THR  76          HG21      THR  76  -4.569   4.943  -9.811
  575   HG22  THR  76          HG22      THR  76  -3.527   6.061 -10.715
  576   HG23  THR  76          HG23      THR  76  -2.857   5.105  -9.366
  577    H    LEU  77           H        LEU  77  -1.436   7.497 -10.619
  578    HA   LEU  77           HA       LEU  77  -2.311  10.140 -11.675
  579    HB2  LEU  77           HB2      LEU  77   0.078   9.907 -11.590
  580    HB3  LEU  77           HB3      LEU  77   0.005   8.325 -12.378
  581    HG   LEU  77           HG       LEU  77  -0.921   9.442 -14.432
  582   HD11  LEU  77          HD11      LEU  77  -1.858  11.500 -13.471
  583   HD12  LEU  77          HD12      LEU  77  -0.246  11.988 -12.895
  584   HD13  LEU  77          HD13      LEU  77  -0.604  11.900 -14.638
  585   HD21  LEU  77          HD21      LEU  77   1.767  10.432 -13.414
  586   HD22  LEU  77          HD22      LEU  77   1.443   8.899 -14.269
  587   HD23  LEU  77          HD23      LEU  77   1.234  10.439 -15.109
  588    H    ILE  78           H        ILE  78  -3.787  10.129 -13.276
  589    HA   ILE  78           HA       ILE  78  -4.256   7.650 -14.771
  590    HB   ILE  78           HB       ILE  78  -6.083   9.824 -13.781
  591   HG12  ILE  78          HG12      ILE  78  -7.680   7.926 -13.500
  592   HG13  ILE  78          HG13      ILE  78  -6.465   6.812 -14.119
  593   HG21  ILE  78          HG21      ILE  78  -6.534  10.123 -16.043
  594   HG22  ILE  78          HG22      ILE  78  -6.475   8.357 -16.398
  595   HG23  ILE  78          HG23      ILE  78  -7.810   9.049 -15.463
  596   HD11  ILE  78          HD11      ILE  78  -6.698   6.863 -11.631
  597   HD12  ILE  78          HD12      ILE  78  -5.060   7.219 -12.192
  598   HD13  ILE  78          HD13      ILE  78  -6.124   8.555 -11.657
  599    H    VAL  79           H        VAL  79  -4.086   7.899 -17.066
  600    HA   VAL  79           HA       VAL  79  -3.696  10.560 -18.197
  601    HB   VAL  79           HB       VAL  79  -1.815   8.246 -18.725
  602   HG11  VAL  79          HG11      VAL  79  -0.511   9.887 -20.065
  603   HG12  VAL  79          HG12      VAL  79  -2.116   9.615 -20.746
  604   HG13  VAL  79          HG13      VAL  79  -1.790  11.094 -19.818
  605   HG21  VAL  79          HG21      VAL  79  -1.407  10.832 -17.183
  606   HG22  VAL  79          HG22      VAL  79  -1.280   9.162 -16.581
  607   HG23  VAL  79          HG23      VAL  79  -0.090   9.797 -17.728
  608    H    ASP  80           H        ASP  80  -4.798  10.745 -20.122
  609    HA   ASP  80           HA       ASP  80  -6.472  10.234 -21.544
  610    HB2  ASP  80           HB2      ASP  80  -4.479   9.476 -22.775
  611    HB3  ASP  80           HB3      ASP  80  -4.721   7.837 -22.166
  612    H    ASN  81           H        ASN  81  -7.078   9.494 -18.960
  613    HA   ASN  81           HA       ASN  81  -8.498   8.433 -17.648
  614    HB2  ASN  81           HB2      ASN  81 -10.054   8.935 -19.579
  615    HB3  ASN  81           HB3      ASN  81  -9.870   7.247 -20.052
  616   HD21  ASN  81          HD22      ASN  81 -12.019   6.544 -19.579
  617   HD22  ASN  81          HD21      ASN  81 -12.698   6.598 -17.969
  618    H    ARG  82           H        ARG  82  -6.059   6.748 -18.920
  619    HA   ARG  82           HA       ARG  82  -6.842   4.139 -17.795
  620    HB2  ARG  82           HB2      ARG  82  -4.485   5.107 -19.492
  621    HB3  ARG  82           HB3      ARG  82  -4.453   3.586 -18.599
  622    HG2  ARG  82           HG2      ARG  82  -5.148   3.005 -20.731
  623    HG3  ARG  82           HG3      ARG  82  -6.590   2.950 -19.687
  624    HD2  ARG  82           HD2      ARG  82  -7.427   5.000 -20.635
  625    HD3  ARG  82           HD3      ARG  82  -5.921   5.252 -21.556
  626    HE   ARG  82           HE       ARG  82  -6.914   2.773 -22.356
  627   HH11  ARG  82          HH11      ARG  82  -7.990   6.146 -22.455
  628   HH12  ARG  82          HH12      ARG  82  -9.042   5.930 -23.820
  629   HH21  ARG  82          HH21      ARG  82  -8.288   2.467 -24.188
  630   HH22  ARG  82          HH22      ARG  82  -9.202   3.782 -24.832
  631    H    GLU  83           H        GLU  83  -5.555   3.224 -16.149
  632    HA   GLU  83           HA       GLU  83  -4.653   5.235 -14.226
  633    HB2  GLU  83           HB2      GLU  83  -6.337   3.789 -13.454
  634    HB3  GLU  83           HB3      GLU  83  -5.480   2.330 -14.007
  635    HG2  GLU  83           HG2      GLU  83  -3.718   2.710 -12.322
  636    HG3  GLU  83           HG3      GLU  83  -4.512   4.219 -11.861
  637    H    ILE  84           H        ILE  84  -2.577   5.406 -13.457
  638    HA   ILE  84           HA       ILE  84  -0.479   3.720 -14.703
  639    HB   ILE  84           HB       ILE  84  -0.348   6.665 -13.939
  640   HG12  ILE  84          HG12      ILE  84  -1.876   6.568 -15.776
  641   HG13  ILE  84          HG13      ILE  84  -0.335   7.231 -16.264
  642   HG21  ILE  84          HG21      ILE  84   1.733   6.714 -15.207
  643   HG22  ILE  84          HG22      ILE  84   1.833   5.553 -13.883
  644   HG23  ILE  84          HG23      ILE  84   1.609   4.973 -15.539
  645   HD11  ILE  84          HD11      ILE  84   0.268   5.158 -17.421
  646   HD12  ILE  84          HD12      ILE  84  -1.221   4.381 -16.841
  647   HD13  ILE  84          HD13      ILE  84  -1.312   5.740 -17.975
  648    HA   PRO  85           HA       PRO  85   0.080   3.074 -10.224
  649    HB2  PRO  85           HB2      PRO  85   1.757   0.930 -10.272
  650    HB3  PRO  85           HB3      PRO  85   0.023   0.805 -10.700
  651    HG2  PRO  85           HG2      PRO  85   2.393   1.082 -12.580
  652    HG3  PRO  85           HG3      PRO  85   1.024  -0.072 -12.686
  653    HD2  PRO  85           HD2      PRO  85   1.098   2.281 -14.098
  654    HD3  PRO  85           HD3      PRO  85  -0.436   1.583 -13.492
  655    H    GLU  86           H        GLU  86   1.675   3.701  -8.687
  656    HA   GLU  86           HA       GLU  86   3.745   5.410  -9.724
  657    HB2  GLU  86           HB2      GLU  86   3.979   6.274  -7.665
  658    HB3  GLU  86           HB3      GLU  86   2.302   5.772  -7.617
  659    HG2  GLU  86           HG2      GLU  86   2.948   3.750  -6.319
  660    HG3  GLU  86           HG3      GLU  86   4.656   4.216  -6.431
  661    H    ILE  87           H        ILE  87   6.007   5.316  -8.883
  662    HA   ILE  87           HA       ILE  87   7.048   2.598  -8.458
  663    HB   ILE  87           HB       ILE  87   9.123   3.469  -9.453
  664   HG12  ILE  87          HG12      ILE  87   7.587   5.672 -10.817
  665   HG13  ILE  87          HG13      ILE  87   8.503   5.934  -9.333
  666   HG21  ILE  87          HG21      ILE  87   8.446   2.972 -11.766
  667   HG22  ILE  87          HG22      ILE  87   7.524   1.970 -10.640
  668   HG23  ILE  87          HG23      ILE  87   6.761   3.396 -11.387
  669   HD11  ILE  87          HD11      ILE  87   9.887   6.466 -11.335
  670   HD12  ILE  87          HD12      ILE  87  10.578   5.126 -10.406
  671   HD13  ILE  87          HD13      ILE  87   9.702   4.813 -11.917
  672    H    ALA  88           H        ALA  88   8.900   2.487  -7.118
  673    HA   ALA  88           HA       ALA  88   9.517   4.818  -5.427
  674    HB1  ALA  88           HB1      ALA  88   8.860   2.052  -4.349
  675    HB2  ALA  88           HB2      ALA  88   9.337   3.466  -3.378
  676    HB3  ALA  88           HB3      ALA  88   7.782   3.470  -4.234
  677    H    SER  89           H        SER  89  10.797   3.493  -7.625
  678    HA   SER  89           HA       SER  89  12.973   1.830  -6.877
  679    HB2  SER  89           HB2      SER  89  12.922   3.804  -9.190
  680    HB3  SER  89           HB3      SER  89  13.831   2.292  -9.065
  681    HG   SER  89           HG       SER  89  11.949   1.963 -10.337
  Start of MODEL    4
    1    H1   GLU   1           H1       GLU   1   5.375  22.131  10.533
    2    H2   GLU   1           H2       GLU   1   5.017  21.164  11.813
    3    H3   GLU   1           H3       GLU   1   6.389  20.916  10.946
    4    HA   GLU   1           HA       GLU   1   4.788  19.253  10.356
    5    HB2  GLU   1           HB2      GLU   1   2.782  20.602  10.928
    6    HB3  GLU   1           HB3      GLU   1   3.067  21.636   9.532
    7    HG2  GLU   1           HG2      GLU   1   1.308  20.047   9.043
    8    HG3  GLU   1           HG3      GLU   1   2.690  19.720   8.009
    9    H    ASP   2           H        ASP   2   5.322  18.292   8.418
   10    HA   ASP   2           HA       ASP   2   5.701  19.730   5.982
   11    HB2  ASP   2           HB2      ASP   2   7.954  19.591   5.588
   12    HB3  ASP   2           HB3      ASP   2   7.987  20.025   7.287
   13    H    ARG   3           H        ARG   3   6.105  18.166   4.212
   14    HA   ARG   3           HA       ARG   3   6.174  15.352   4.976
   15    HB2  ARG   3           HB2      ARG   3   3.683  16.276   4.614
   16    HB3  ARG   3           HB3      ARG   3   4.074  16.068   2.915
   17    HG2  ARG   3           HG2      ARG   3   2.869  14.149   3.840
   18    HG3  ARG   3           HG3      ARG   3   4.485  13.662   3.333
   19    HD2  ARG   3           HD2      ARG   3   3.791  12.664   5.518
   20    HD3  ARG   3           HD3      ARG   3   5.271  13.599   5.608
   21    HE   ARG   3           HE       ARG   3   4.254  15.289   6.838
   22   HH11  ARG   3          HH11      ARG   3   1.877  12.716   6.130
   23   HH12  ARG   3          HH12      ARG   3   0.781  13.214   7.367
   24   HH21  ARG   3          HH21      ARG   3   2.784  15.945   8.478
   25   HH22  ARG   3          HH22      ARG   3   1.321  15.060   8.736
   26    H    SER   4           H        SER   4   8.169  17.045   3.970
   27    HA   SER   4           HA       SER   4   8.410  16.890   1.122
   28    HB2  SER   4           HB2      SER   4  10.571  17.187   3.233
   29    HB3  SER   4           HB3      SER   4  10.690  17.608   1.510
   30    HG   SER   4           HG       SER   4  10.227  19.457   2.810
   31    H    LYS   5           H        LYS   5   9.778  15.625  -0.137
   32    HA   LYS   5           HA       LYS   5  10.488  13.719  -0.975
   33    HB2  LYS   5           HB2      LYS   5  12.343  14.315   0.752
   34    HB3  LYS   5           HB3      LYS   5  11.767  12.898   1.638
   35    HG2  LYS   5           HG2      LYS   5  12.202  11.497  -0.402
   36    HG3  LYS   5           HG3      LYS   5  12.728  12.954  -1.264
   37    HD2  LYS   5           HD2      LYS   5  14.567  13.256   0.375
   38    HD3  LYS   5           HD3      LYS   5  14.040  11.793   1.236
   39    HE2  LYS   5           HE2      LYS   5  14.397  10.450  -0.830
   40    HE3  LYS   5           HE3      LYS   5  14.922  11.906  -1.689
   41    HZ1  LYS   5           HZ1      LYS   5  16.803  10.619  -0.905
   42    HZ2  LYS   5           HZ2      LYS   5  16.791  12.058  -0.133
   43    HZ3  LYS   5           HZ3      LYS   5  16.306  10.698   0.645
   44    H    THR   6           H        THR   6   7.826  13.748   0.324
   45    HA   THR   6           HA       THR   6   7.420  10.787   0.570
   46    HB   THR   6           HB       THR   6   5.451  12.923   1.367
   47    HG1  THR   6           HG1      THR   6   7.321  13.003   2.714
   48   HG21  THR   6          HG21      THR   6   4.261  11.075   2.328
   49   HG22  THR   6          HG22      THR   6   4.845  10.418   0.776
   50   HG23  THR   6          HG23      THR   6   5.690  10.011   2.270
   51    H    THR   7           H        THR   7   7.501  10.261  -1.567
   52    HA   THR   7           HA       THR   7   5.921  11.930  -3.433
   53    HB   THR   7           HB       THR   7   7.850  11.288  -5.031
   54    HG1  THR   7           HG1      THR   7   9.763  10.660  -4.066
   55   HG21  THR   7          HG21      THR   7   9.400  13.072  -4.128
   56   HG22  THR   7          HG22      THR   7   7.728  13.580  -4.299
   57   HG23  THR   7          HG23      THR   7   8.363  13.189  -2.692
   58    H    ASN   8           H        ASN   8   5.157  11.022  -5.270
   59    HA   ASN   8           HA       ASN   8   5.008   8.019  -5.575
   60    HB2  ASN   8           HB2      ASN   8   2.954  10.070  -6.480
   61    HB3  ASN   8           HB3      ASN   8   2.886   8.329  -6.722
   62   HD21  ASN   8          HD21      ASN   8   2.740   6.980  -4.576
   63   HD22  ASN   8          HD22      ASN   8   1.687   7.671  -3.345
   64    H    THR   9           H        THR   9   5.957   7.422  -7.474
   65    HA   THR   9           HA       THR   9   6.525   9.591  -9.418
   66    HB   THR   9           HB       THR   9   8.206   7.159  -8.796
   67    HG1  THR   9           HG1      THR   9   8.679   8.590  -7.285
   68   HG21  THR   9          HG21      THR   9   8.317   7.643 -11.227
   69   HG22  THR   9          HG22      THR   9   8.717   9.315 -10.892
   70   HG23  THR   9          HG23      THR   9   9.842   8.034 -10.415
   71    H    TRP  10           H        TRP  10   6.127   9.117 -11.572
   72    HA   TRP  10           HA       TRP  10   5.030   6.467 -12.323
   73    HB2  TRP  10           HB2      TRP  10   3.747   9.161 -13.011
   74    HB3  TRP  10           HB3      TRP  10   3.293   7.613 -13.682
   75    HD1  TRP  10           HD1      TRP  10   1.917   6.002 -12.215
   76    HE1  TRP  10           HE1      TRP  10   0.476   6.264 -10.116
   77    HE3  TRP  10           HE3      TRP  10   3.558  10.587 -10.763
   78    HZ2  TRP  10           HZ2      TRP  10  -0.070   8.379  -8.174
   79    HZ3  TRP  10           HZ3      TRP  10   2.458  11.787  -8.900
   80    HH2  TRP  10           HH2      TRP  10   0.633  10.703  -7.600
   81    H    VAL  11           H        VAL  11   5.171   6.158 -14.617
   82    HA   VAL  11           HA       VAL  11   7.090   7.896 -15.987
   83    HB   VAL  11           HB       VAL  11   6.814   4.987 -16.341
   84   HG11  VAL  11          HG11      VAL  11   8.932   5.218 -17.688
   85   HG12  VAL  11          HG12      VAL  11   7.619   6.156 -18.400
   86   HG13  VAL  11          HG13      VAL  11   8.867   6.981 -17.448
   87   HG21  VAL  11          HG21      VAL  11   7.787   5.254 -14.188
   88   HG22  VAL  11          HG22      VAL  11   9.102   4.828 -15.287
   89   HG23  VAL  11          HG23      VAL  11   8.891   6.521 -14.768
   90    H    LEU  12           H        LEU  12   6.385   8.611 -17.999
   91    HA   LEU  12           HA       LEU  12   3.872   7.419 -19.106
   92    HB2  LEU  12           HB2      LEU  12   4.850  10.310 -19.213
   93    HB3  LEU  12           HB3      LEU  12   3.455   9.663 -20.083
   94    HG   LEU  12           HG       LEU  12   3.724   9.858 -17.062
   95   HD11  LEU  12          HD11      LEU  12   2.126  11.679 -17.255
   96   HD12  LEU  12          HD12      LEU  12   3.462  12.015 -18.369
   97   HD13  LEU  12          HD13      LEU  12   1.928  11.392 -18.992
   98   HD21  LEU  12          HD21      LEU  12   2.355   7.906 -17.749
   99   HD22  LEU  12          HD22      LEU  12   1.348   9.169 -17.068
  100   HD23  LEU  12          HD23      LEU  12   1.414   8.929 -18.840
  101    H    HIS  13           H        HIS  13   4.427   6.240 -20.814
  102    HA   HIS  13           HA       HIS  13   6.669   7.094 -22.478
  103    HB2  HIS  13           HB2      HIS  13   6.299   4.670 -22.142
  104    HB3  HIS  13           HB3      HIS  13   4.690   4.811 -22.843
  105    HD1  HIS  13           HD1      HIS  13   7.499   6.686 -24.696
  106    HD2  HIS  13           HD2      HIS  13   5.393   3.028 -24.751
  107    HE1  HIS  13           HE1      HIS  13   7.990   5.612 -26.935
  108    H    MET  14           H        MET  14   6.351   8.547 -24.089
  109    HA   MET  14           HA       MET  14   3.748   8.917 -25.351
  110    HB2  MET  14           HB2      MET  14   5.419  11.039 -23.952
  111    HB3  MET  14           HB3      MET  14   4.278  11.472 -25.246
  112    HG2  MET  14           HG2      MET  14   2.454  10.465 -23.949
  113    HG3  MET  14           HG3      MET  14   3.593  10.133 -22.632
  114    HE1  MET  14           HE1      MET  14   1.433  12.972 -21.187
  115    HE2  MET  14           HE2      MET  14   0.849  11.816 -22.419
  116    HE3  MET  14           HE3      MET  14   1.963  11.269 -21.144
  117    H    ASP  15           H        ASP  15   4.435  10.785 -27.185
  118    HA   ASP  15           HA       ASP  15   5.336   9.172 -29.184
  119    HB2  ASP  15           HB2      ASP  15   4.052  11.170 -29.576
  120    HB3  ASP  15           HB3      ASP  15   5.382  12.191 -29.025
  121    H    GLY  16           H        GLY  16   7.157   8.072 -28.547
  122    HA2  GLY  16           HA2      GLY  16   9.326   7.486 -29.111
  123    HA3  GLY  16           HA3      GLY  16   9.623   9.123 -29.712
  124    H    GLU  17           H        GLU  17   8.334   8.966 -26.441
  125    HA   GLU  17           HA       GLU  17  10.995   9.224 -25.256
  126    HB2  GLU  17           HB2      GLU  17   8.896  11.441 -25.305
  127    HB3  GLU  17           HB3      GLU  17  10.148  11.348 -24.063
  128    HG2  GLU  17           HG2      GLU  17  11.901  11.299 -25.830
  129    HG3  GLU  17           HG3      GLU  17  10.654  11.577 -27.051
  130    H    ASN  18           H        ASN  18  10.891   9.381 -22.871
  131    HA   ASN  18           HA       ASN  18   8.494   8.205 -21.624
  132    HB2  ASN  18           HB2      ASN  18  11.305   7.108 -21.475
  133    HB3  ASN  18           HB3      ASN  18  10.254   7.040 -20.064
  134   HD21  ASN  18          HD22      ASN  18  10.588   5.879 -23.442
  135   HD22  ASN  18          HD21      ASN  18   9.394   4.613 -23.284
  136    H    PHE  19           H        PHE  19   7.831   9.616 -20.195
  137    HA   PHE  19           HA       PHE  19   9.768  11.613 -19.091
  138    HB2  PHE  19           HB2      PHE  19   6.726  11.742 -19.268
  139    HB3  PHE  19           HB3      PHE  19   7.793  13.024 -18.736
  140    HD1  PHE  19           HD1      PHE  19   9.900  13.238 -20.709
  141    HD2  PHE  19           HD2      PHE  19   5.724  12.289 -21.323
  142    HE1  PHE  19           HE1      PHE  19  10.030  14.143 -23.003
  143    HE2  PHE  19           HE2      PHE  19   5.867  13.267 -23.601
  144    HZ   PHE  19           HZ       PHE  19   8.019  14.138 -24.464
  145    H    ARG  20           H        ARG  20  10.194  11.604 -16.889
  146    HA   ARG  20           HA       ARG  20   8.667   9.780 -15.186
  147    HB2  ARG  20           HB2      ARG  20  11.304  10.999 -15.027
  148    HB3  ARG  20           HB3      ARG  20  10.362  11.566 -13.657
  149    HG2  ARG  20           HG2      ARG  20  11.406   9.634 -12.855
  150    HG3  ARG  20           HG3      ARG  20   9.738   9.158 -13.163
  151    HD2  ARG  20           HD2      ARG  20  11.151   7.397 -13.925
  152    HD3  ARG  20           HD3      ARG  20  10.497   8.192 -15.376
  153    HE   ARG  20           HE       ARG  20  12.986   9.401 -14.691
  154   HH11  ARG  20          HH11      ARG  20  11.840   6.255 -15.916
  155   HH12  ARG  20          HH12      ARG  20  13.285   5.925 -16.802
  156   HH21  ARG  20          HH21      ARG  20  14.903   8.945 -15.859
  157   HH22  ARG  20          HH22      ARG  20  15.063   7.480 -16.755
  158    H    ILE  21           H        ILE  21   7.272  10.478 -13.554
  159    HA   ILE  21           HA       ILE  21   6.593  13.339 -13.390
  160    HB   ILE  21           HB       ILE  21   4.771  10.967 -13.029
  161   HG12  ILE  21          HG12      ILE  21   5.269  11.357 -15.372
  162   HG13  ILE  21          HG13      ILE  21   3.573  11.602 -14.988
  163   HG21  ILE  21          HG21      ILE  21   2.933  12.506 -12.659
  164   HG22  ILE  21          HG22      ILE  21   4.173  12.766 -11.426
  165   HG23  ILE  21          HG23      ILE  21   4.040  13.897 -12.791
  166   HD11  ILE  21          HD11      ILE  21   4.510  13.234 -16.604
  167   HD12  ILE  21          HD12      ILE  21   3.829  14.009 -15.166
  168   HD13  ILE  21          HD13      ILE  21   5.596  13.841 -15.362
  169    H    VAL  22           H        VAL  22   6.977  13.976 -11.153
  170    HA   VAL  22           HA       VAL  22   6.748  11.851  -9.149
  171    HB   VAL  22           HB       VAL  22   8.927  13.957  -9.113
  172   HG11  VAL  22          HG11      VAL  22   9.770  12.660  -7.169
  173   HG12  VAL  22          HG12      VAL  22   8.123  13.225  -6.856
  174   HG13  VAL  22          HG13      VAL  22   8.406  11.531  -7.329
  175   HG21  VAL  22          HG21      VAL  22   9.202  10.990  -9.644
  176   HG22  VAL  22          HG22      VAL  22   9.484  12.290 -10.824
  177   HG23  VAL  22          HG23      VAL  22  10.543  12.128  -9.419
  178    H    LEU  23           H        LEU  23   5.122  12.424  -7.864
  179    HA   LEU  23           HA       LEU  23   4.341  15.287  -7.561
  180    HB2  LEU  23           HB2      LEU  23   2.501  13.834  -7.855
  181    HB3  LEU  23           HB3      LEU  23   3.160  12.621  -6.757
  182    HG   LEU  23           HG       LEU  23   2.822  14.144  -4.803
  183   HD11  LEU  23          HD11      LEU  23   2.806  16.355  -5.790
  184   HD12  LEU  23          HD12      LEU  23   1.438  15.930  -6.849
  185   HD13  LEU  23          HD13      LEU  23   1.221  16.034  -5.090
  186   HD21  LEU  23          HD21      LEU  23   0.505  13.792  -4.554
  187   HD22  LEU  23          HD22      LEU  23   0.250  13.699  -6.311
  188   HD23  LEU  23          HD23      LEU  23   1.154  12.420  -5.450
  189    H    GLU  24           H        GLU  24   5.285  16.453  -5.942
  190    HA   GLU  24           HA       GLU  24   6.414  15.106  -3.565
  191    HB2  GLU  24           HB2      GLU  24   6.969  17.571  -5.064
  192    HB3  GLU  24           HB3      GLU  24   6.594  17.965  -3.393
  193    HG2  GLU  24           HG2      GLU  24   8.587  15.850  -4.221
  194    HG3  GLU  24           HG3      GLU  24   9.011  17.534  -3.936
  195    H    LYS  25           H        LYS  25   4.985  14.691  -1.969
  196    HA   LYS  25           HA       LYS  25   2.308  15.751  -2.122
  197    HB2  LYS  25           HB2      LYS  25   3.750  14.144   0.008
  198    HB3  LYS  25           HB3      LYS  25   2.034  14.562   0.078
  199    HG2  LYS  25           HG2      LYS  25   1.535  13.349  -1.955
  200    HG3  LYS  25           HG3      LYS  25   3.247  13.000  -2.254
  201    HD2  LYS  25           HD2      LYS  25   3.404  11.707  -0.206
  202    HD3  LYS  25           HD3      LYS  25   1.729  12.126   0.237
  203    HE2  LYS  25           HE2      LYS  25   0.969  10.999  -1.906
  204    HE3  LYS  25           HE3      LYS  25   2.630  10.467  -2.162
  205    HZ1  LYS  25           HZ1      LYS  25   0.957   9.700   0.180
  206    HZ2  LYS  25           HZ2      LYS  25   1.277   8.744  -1.115
  207    HZ3  LYS  25           HZ3      LYS  25   2.487   9.164  -0.107
  208    H    ASP  26           H        ASP  26   5.204  16.932  -0.518
  209    HA   ASP  26           HA       ASP  26   4.079  18.187   1.724
  210    HB2  ASP  26           HB2      ASP  26   6.497  17.979   1.319
  211    HB3  ASP  26           HB3      ASP  26   6.406  19.149   0.010
  212    H    ALA  27           H        ALA  27   4.471  19.435  -1.597
  213    HA   ALA  27           HA       ALA  27   2.773  21.752  -0.964
  214    HB1  ALA  27           HB1      ALA  27   4.903  21.387  -3.107
  215    HB2  ALA  27           HB2      ALA  27   3.951  22.861  -2.832
  216    HB3  ALA  27           HB3      ALA  27   5.095  22.300  -1.594
  217    H    MET  28           H        MET  28   2.536  18.743  -2.380
  218    HA   MET  28           HA       MET  28   1.426  17.759  -3.965
  219    HB2  MET  28           HB2      MET  28  -0.579  19.999  -3.614
  220    HB3  MET  28           HB3      MET  28  -0.850  18.590  -4.638
  221    HG2  MET  28           HG2      MET  28  -0.242  18.479  -1.667
  222    HG3  MET  28           HG3      MET  28  -1.845  18.343  -2.377
  223    HE1  MET  28           HE1      MET  28  -2.796  16.259  -3.605
  224    HE2  MET  28           HE2      MET  28  -1.548  16.375  -4.878
  225    HE3  MET  28           HE3      MET  28  -1.843  14.827  -4.054
  226    H    ASP  29           H        ASP  29   3.620  19.024  -4.774
  227    HA   ASP  29           HA       ASP  29   3.005  20.589  -7.217
  228    HB2  ASP  29           HB2      ASP  29   4.524  21.661  -5.571
  229    HB3  ASP  29           HB3      ASP  29   5.631  20.271  -5.736
  230    H    VAL  30           H        VAL  30   3.844  19.869  -9.216
  231    HA   VAL  30           HA       VAL  30   4.721  17.035  -9.160
  232    HB   VAL  30           HB       VAL  30   2.355  17.507  -9.847
  233   HG11  VAL  30          HG11      VAL  30   1.829  18.148 -12.092
  234   HG12  VAL  30          HG12      VAL  30   2.757  19.466 -11.341
  235   HG13  VAL  30          HG13      VAL  30   3.535  18.376 -12.503
  236   HG21  VAL  30          HG21      VAL  30   3.457  15.374 -10.225
  237   HG22  VAL  30          HG22      VAL  30   2.477  15.781 -11.645
  238   HG23  VAL  30          HG23      VAL  30   4.243  15.995 -11.689
  239    H    TRP  31           H        TRP  31   6.706  16.747  -9.713
  240    HA   TRP  31           HA       TRP  31   8.148  18.538 -11.537
  241    HB2  TRP  31           HB2      TRP  31   9.104  15.905 -10.379
  242    HB3  TRP  31           HB3      TRP  31  10.055  17.278 -10.896
  243    HD1  TRP  31           HD1      TRP  31   8.525  15.698  -7.878
  244    HE1  TRP  31           HE1      TRP  31   8.967  17.075  -5.791
  245    HE3  TRP  31           HE3      TRP  31  10.081  19.986 -10.083
  246    HZ2  TRP  31           HZ2      TRP  31  10.040  19.686  -5.120
  247    HZ3  TRP  31           HZ3      TRP  31  10.862  21.923  -8.698
  248    HH2  TRP  31           HH2      TRP  31  10.843  21.773  -6.221
  249    H    CYS  32           H        CYS  32   7.754  18.150 -13.757
  250    HA   CYS  32           HA       CYS  32   7.307  15.314 -14.611
  251    HB2  CYS  32           HB2      CYS  32   6.215  17.874 -15.828
  252    HB3  CYS  32           HB3      CYS  32   5.941  16.225 -16.442
  253    HG   CYS  32           HG       CYS  32   5.131  17.542 -13.524
  254    H    ASN  33           H        ASN  33   8.924  14.590 -15.879
  255    HA   ASN  33           HA       ASN  33  10.983  14.538 -16.830
  256    HB2  ASN  33           HB2      ASN  33   9.541  15.136 -18.755
  257    HB3  ASN  33           HB3      ASN  33   9.871  16.842 -18.471
  258   HD21  ASN  33          HD22      ASN  33  11.828  13.745 -18.901
  259   HD22  ASN  33          HD21      ASN  33  12.977  14.503 -19.968
  260    H    GLY  34           H        GLY  34  11.033  15.803 -14.378
  261    HA2  GLY  34           HA2      GLY  34  12.703  16.671 -13.095
  262    HA3  GLY  34           HA3      GLY  34  13.632  17.015 -14.553
  263    H    LYS  35           H        LYS  35  10.619  18.607 -14.869
  264    HA   LYS  35           HA       LYS  35  11.608  21.086 -13.498
  265    HB2  LYS  35           HB2      LYS  35  10.083  20.869 -16.136
  266    HB3  LYS  35           HB3      LYS  35  10.512  22.371 -15.324
  267    HG2  LYS  35           HG2      LYS  35  12.490  20.361 -16.493
  268    HG3  LYS  35           HG3      LYS  35  11.964  21.864 -17.249
  269    HD2  LYS  35           HD2      LYS  35  12.954  23.166 -15.364
  270    HD3  LYS  35           HD3      LYS  35  13.539  21.650 -14.641
  271    HE2  LYS  35           HE2      LYS  35  14.831  21.166 -16.708
  272    HE3  LYS  35           HE3      LYS  35  14.276  22.688 -17.414
  273    HZ1  LYS  35           HZ1      LYS  35  15.944  22.461 -14.970
  274    HZ2  LYS  35           HZ2      LYS  35  16.478  22.910 -16.444
  275    HZ3  LYS  35           HZ3      LYS  35  15.435  23.871 -15.640
  276    H    LYS  36           H        LYS  36   9.897  22.326 -12.447
  277    HA   LYS  36           HA       LYS  36   7.505  20.722 -11.971
  278    HB2  LYS  36           HB2      LYS  36   7.056  21.771 -10.140
  279    HB3  LYS  36           HB3      LYS  36   8.763  22.147 -10.151
  280    HG2  LYS  36           HG2      LYS  36   6.517  24.006 -11.056
  281    HG3  LYS  36           HG3      LYS  36   7.226  23.999  -9.457
  282    HD2  LYS  36           HD2      LYS  36   8.834  24.585 -11.988
  283    HD3  LYS  36           HD3      LYS  36   8.043  25.813 -10.996
  284    HE2  LYS  36           HE2      LYS  36   9.352  25.025  -9.003
  285    HE3  LYS  36           HE3      LYS  36  10.229  23.903 -10.047
  286    HZ1  LYS  36           HZ1      LYS  36  11.462  25.953  -9.735
  287    HZ2  LYS  36           HZ2      LYS  36  11.045  25.839 -11.309
  288    HZ3  LYS  36           HZ3      LYS  36  10.235  26.861 -10.316
  289    H    LEU  37           H        LEU  37   5.356  21.377 -12.524
  290    HA   LEU  37           HA       LEU  37   5.108  23.660 -14.328
  291    HB2  LEU  37           HB2      LEU  37   3.789  22.415 -15.964
  292    HB3  LEU  37           HB3      LEU  37   5.488  21.956 -15.856
  293    HG   LEU  37           HG       LEU  37   4.824  19.999 -14.461
  294   HD11  LEU  37          HD11      LEU  37   2.584  20.527 -13.712
  295   HD12  LEU  37          HD12      LEU  37   2.017  20.727 -15.384
  296   HD13  LEU  37          HD13      LEU  37   2.484  19.124 -14.764
  297   HD21  LEU  37          HD21      LEU  37   5.428  19.786 -16.801
  298   HD22  LEU  37          HD22      LEU  37   4.082  18.686 -16.472
  299   HD23  LEU  37          HD23      LEU  37   3.778  20.215 -17.319
  300    H    GLU  38           H        GLU  38   2.730  24.122 -14.759
  301    HA   GLU  38           HA       GLU  38   1.660  24.611 -12.182
  302    HB2  GLU  38           HB2      GLU  38  -0.054  25.885 -13.300
  303    HB3  GLU  38           HB3      GLU  38   1.535  26.246 -13.973
  304    HG2  GLU  38           HG2      GLU  38   1.019  24.730 -15.914
  305    HG3  GLU  38           HG3      GLU  38  -0.592  24.466 -15.244
  306    H    THR  39           H        THR  39  -0.312  24.058 -11.280
  307    HA   THR  39           HA       THR  39  -1.732  21.637 -12.267
  308    HB   THR  39           HB       THR  39  -1.757  21.046  -9.739
  309    HG1  THR  39           HG1      THR  39  -0.564  22.769  -8.893
  310   HG21  THR  39          HG21      THR  39   0.688  20.587 -11.496
  311   HG22  THR  39          HG22      THR  39   0.279  19.628 -10.057
  312   HG23  THR  39          HG23      THR  39  -0.795  19.617 -11.470
  313    H    ALA  40           H        ALA  40  -3.866  21.501 -11.604
  314    HA   ALA  40           HA       ALA  40  -5.037  23.764 -10.053
  315    HB1  ALA  40           HB1      ALA  40  -7.098  23.512 -11.409
  316    HB2  ALA  40           HB2      ALA  40  -5.727  24.021 -12.420
  317    HB3  ALA  40           HB3      ALA  40  -6.279  22.330 -12.455
  318    H    GLY  41           H        GLY  41  -6.576  22.967  -8.456
  319    HA2  GLY  41           HA2      GLY  41  -6.449  20.002  -8.044
  320    HA3  GLY  41           HA3      GLY  41  -6.248  21.192  -6.748
  321    H    GLU  42           H        GLU  42  -8.479  19.367  -8.574
  322    HA   GLU  42           HA       GLU  42 -10.756  20.978  -7.599
  323    HB2  GLU  42           HB2      GLU  42 -10.451  19.013  -9.878
  324    HB3  GLU  42           HB3      GLU  42 -12.020  19.164  -9.064
  325    HG2  GLU  42           HG2      GLU  42 -11.990  21.604  -9.385
  326    HG3  GLU  42           HG3      GLU  42 -10.448  21.483 -10.253
  327    H    PHE  43           H        PHE  43 -12.458  19.840  -6.474
  328    HA   PHE  43           HA       PHE  43 -11.514  17.383  -5.048
  329    HB2  PHE  43           HB2      PHE  43 -11.315  19.436  -3.636
  330    HB3  PHE  43           HB3      PHE  43 -13.049  19.699  -3.840
  331    HD1  PHE  43           HD1      PHE  43 -10.512  17.262  -2.536
  332    HD2  PHE  43           HD2      PHE  43 -14.625  18.566  -2.429
  333    HE1  PHE  43           HE1      PHE  43 -10.941  15.755  -0.614
  334    HE2  PHE  43           HE2      PHE  43 -15.049  17.063  -0.502
  335    HZ   PHE  43           HZ       PHE  43 -13.210  15.653   0.410
  336    H    VAL  44           H        VAL  44 -12.979  15.765  -4.892
  337    HA   VAL  44           HA       VAL  44 -15.784  16.279  -5.640
  338    HB   VAL  44           HB       VAL  44 -15.565  13.843  -6.559
  339   HG11  VAL  44          HG11      VAL  44 -15.121  14.695  -8.810
  340   HG12  VAL  44          HG12      VAL  44 -16.193  15.751  -7.876
  341   HG13  VAL  44          HG13      VAL  44 -14.483  16.207  -8.116
  342   HG21  VAL  44          HG21      VAL  44 -12.669  14.638  -6.986
  343   HG22  VAL  44          HG22      VAL  44 -13.263  13.402  -5.843
  344   HG23  VAL  44          HG23      VAL  44 -13.499  13.188  -7.582
  345    H    ASP  45           H        ASP  45 -17.166  14.413  -4.962
  346    HA   ASP  45           HA       ASP  45 -16.758  13.886  -2.141
  347    HB2  ASP  45           HB2      ASP  45 -18.949  14.547  -2.996
  348    HB3  ASP  45           HB3      ASP  45 -19.023  13.088  -3.988
  349    H    ASP  46           H        ASP  46 -14.714  12.802  -3.249
  350    HA   ASP  46           HA       ASP  46 -14.823   9.892  -2.985
  351    HB2  ASP  46           HB2      ASP  46 -15.533  10.145  -5.322
  352    HB3  ASP  46           HB3      ASP  46 -14.214  11.280  -5.628
  353    H    GLY  47           H        GLY  47 -13.021  12.921  -3.790
  354    HA2  GLY  47           HA2      GLY  47 -10.835  12.619  -2.150
  355    HA3  GLY  47           HA3      GLY  47 -10.448  11.711  -3.627
  356    H    THR  48           H        THR  48  -8.826  13.208  -4.234
  357    HA   THR  48           HA       THR  48  -9.807  15.872  -5.128
  358    HB   THR  48           HB       THR  48  -6.949  15.397  -4.348
  359    HG1  THR  48           HG1      THR  48  -8.093  14.871  -2.456
  360   HG21  THR  48          HG21      THR  48  -7.459  17.500  -5.515
  361   HG22  THR  48          HG22      THR  48  -8.688  17.895  -4.295
  362   HG23  THR  48          HG23      THR  48  -6.969  17.810  -3.846
  363    H    GLU  49           H        GLU  49  -8.901  16.575  -7.118
  364    HA   GLU  49           HA       GLU  49  -7.390  14.578  -8.666
  365    HB2  GLU  49           HB2      GLU  49  -9.838  16.077  -9.644
  366    HB3  GLU  49           HB3      GLU  49  -8.743  15.103 -10.656
  367    HG2  GLU  49           HG2      GLU  49  -9.211  13.131  -9.196
  368    HG3  GLU  49           HG3      GLU  49 -10.413  14.075  -8.310
  369    H    THR  50           H        THR  50  -5.464  15.502  -8.991
  370    HA   THR  50           HA       THR  50  -5.244  18.454  -9.246
  371    HB   THR  50           HB       THR  50  -3.224  16.252  -8.734
  372    HG1  THR  50           HG1      THR  50  -4.461  16.938  -6.943
  373   HG21  THR  50          HG21      THR  50  -1.936  17.728 -10.030
  374   HG22  THR  50          HG22      THR  50  -2.763  19.175  -9.411
  375   HG23  THR  50          HG23      THR  50  -1.629  18.256  -8.379
  376    H    HIS  51           H        HIS  51  -5.558  19.118 -11.338
  377    HA   HIS  51           HA       HIS  51  -5.033  17.264 -13.577
  378    HB2  HIS  51           HB2      HIS  51  -6.472  19.941 -13.439
  379    HB3  HIS  51           HB3      HIS  51  -6.272  18.974 -14.899
  380    HD1  HIS  51           HD1      HIS  51  -7.930  16.895 -15.198
  381    HD2  HIS  51           HD2      HIS  51  -8.219  18.973 -11.540
  382    HE1  HIS  51           HE1      HIS  51  -9.998  15.990 -14.016
  383    H    PHE  52           H        PHE  52  -3.664  17.736 -15.290
  384    HA   PHE  52           HA       PHE  52  -2.467  20.312 -15.712
  385    HB2  PHE  52           HB2      PHE  52  -0.097  19.513 -15.585
  386    HB3  PHE  52           HB3      PHE  52  -0.884  19.702 -14.049
  387    HD1  PHE  52           HD2      PHE  52  -1.653  17.720 -12.726
  388    HD2  PHE  52           HD1      PHE  52   0.860  17.351 -16.220
  389    HE1  PHE  52           HE2      PHE  52  -0.922  15.508 -11.957
  390    HE2  PHE  52           HE1      PHE  52   1.611  15.109 -15.405
  391    HZ   PHE  52           HZ       PHE  52   0.744  14.201 -13.278
  392    H    SER  53           H        SER  53  -0.534  19.619 -17.582
  393    HA   SER  53           HA       SER  53  -1.708  17.680 -19.448
  394    HB2  SER  53           HB2      SER  53  -1.347  20.610 -20.194
  395    HB3  SER  53           HB3      SER  53  -1.879  19.307 -21.265
  396    HG   SER  53           HG       SER  53  -3.635  20.593 -20.430
  397    H    ILE  54           H        ILE  54  -0.211  17.017 -21.049
  398    HA   ILE  54           HA       ILE  54   2.533  18.090 -21.021
  399    HB   ILE  54           HB       ILE  54   1.838  15.178 -20.412
  400   HG12  ILE  54          HG12      ILE  54   3.372  17.197 -18.713
  401   HG13  ILE  54          HG13      ILE  54   1.700  16.705 -18.427
  402   HG21  ILE  54          HG21      ILE  54   3.796  15.388 -21.969
  403   HG22  ILE  54          HG22      ILE  54   4.600  16.435 -20.782
  404   HG23  ILE  54          HG23      ILE  54   4.254  14.728 -20.415
  405   HD11  ILE  54          HD11      ILE  54   2.369  14.404 -18.009
  406   HD12  ILE  54          HD12      ILE  54   4.088  14.855 -18.223
  407   HD13  ILE  54          HD13      ILE  54   3.133  15.573 -16.913
  408    H    GLY  55           H        GLY  55   3.196  18.153 -23.162
  409    HA2  GLY  55           HA2      GLY  55   3.087  17.905 -25.451
  410    HA3  GLY  55           HA3      GLY  55   2.555  16.241 -25.158
  411    H    ASN  56           H        ASN  56   0.739  15.939 -26.361
  412    HA   ASN  56           HA       ASN  56  -1.368  18.012 -26.412
  413    HB2  ASN  56           HB2      ASN  56  -0.404  17.173 -28.592
  414    HB3  ASN  56           HB3      ASN  56  -1.084  15.586 -28.206
  415   HD21  ASN  56          HD22      ASN  56  -2.442  15.724 -30.152
  416   HD22  ASN  56          HD21      ASN  56  -3.842  16.768 -30.187
  417    H    HIS  57           H        HIS  57  -0.871  16.276 -24.050
  418    HA   HIS  57           HA       HIS  57  -3.405  14.707 -23.987
  419    HB2  HIS  57           HB2      HIS  57  -0.822  13.963 -22.577
  420    HB3  HIS  57           HB3      HIS  57  -2.281  12.994 -22.737
  421    HD1  HIS  57           HD1      HIS  57  -2.678  11.943 -25.327
  422    HD2  HIS  57           HD2      HIS  57   1.001  13.811 -24.474
  423    HE1  HIS  57           HE1      HIS  57  -1.076  11.261 -27.184
  424    H    ASP  58           H        ASP  58  -4.536  14.813 -22.014
  425    HA   ASP  58           HA       ASP  58  -3.537  16.776 -20.018
  426    HB2  ASP  58           HB2      ASP  58  -5.582  17.264 -19.313
  427    HB3  ASP  58           HB3      ASP  58  -5.908  17.042 -21.027
  428    H    CYS  59           H        CYS  59  -3.578  16.166 -17.816
  429    HA   CYS  59           HA       CYS  59  -3.494  13.263 -17.239
  430    HB2  CYS  59           HB2      CYS  59  -1.466  15.199 -16.132
  431    HB3  CYS  59           HB3      CYS  59  -1.436  13.432 -16.133
  432    HG   CYS  59           HG       CYS  59  -1.170  15.570 -18.610
  433    H    TYR  60           H        TYR  60  -4.076  12.843 -14.984
  434    HA   TYR  60           HA       TYR  60  -4.124  15.149 -13.270
  435    HB2  TYR  60           HB2      TYR  60  -6.351  15.036 -12.495
  436    HB3  TYR  60           HB3      TYR  60  -6.362  15.191 -14.246
  437    HD1  TYR  60           HD1      TYR  60  -6.660  12.563 -11.554
  438    HD2  TYR  60           HD2      TYR  60  -7.770  13.844 -15.506
  439    HE1  TYR  60           HE1      TYR  60  -8.299  10.713 -11.685
  440    HE2  TYR  60           HE2      TYR  60  -9.547  12.116 -15.577
  441    HH   TYR  60           HH       TYR  60 -10.573  10.324 -14.439
  442    H    ILE  61           H        ILE  61  -3.737  14.637 -11.120
  443    HA   ILE  61           HA       ILE  61  -3.211  11.755 -10.606
  444    HB   ILE  61           HB       ILE  61  -2.404  14.198  -9.019
  445   HG12  ILE  61          HG12      ILE  61  -0.560  12.114 -10.247
  446   HG13  ILE  61          HG13      ILE  61  -1.180  13.419 -11.246
  447   HG21  ILE  61          HG21      ILE  61  -1.160  12.540  -7.579
  448   HG22  ILE  61          HG22      ILE  61  -2.907  12.366  -7.453
  449   HG23  ILE  61          HG23      ILE  61  -1.971  11.220  -8.436
  450   HD11  ILE  61          HD11      ILE  61  -0.254  15.112  -9.693
  451   HD12  ILE  61          HD12      ILE  61   0.406  13.799  -8.686
  452   HD13  ILE  61          HD13      ILE  61   0.996  14.021 -10.344
  453    H    LYS  62           H        LYS  62  -4.836  10.662  -9.774
  454    HA   LYS  62           HA       LYS  62  -7.128  11.976  -8.431
  455    HB2  LYS  62           HB2      LYS  62  -6.996   9.798 -10.115
  456    HB3  LYS  62           HB3      LYS  62  -6.771   8.978  -8.578
  457    HG2  LYS  62           HG2      LYS  62  -8.911   9.986  -7.755
  458    HG3  LYS  62           HG3      LYS  62  -9.095  10.828  -9.303
  459    HD2  LYS  62           HD2      LYS  62  -9.110   8.595 -10.489
  460    HD3  LYS  62           HD3      LYS  62  -8.984   7.808  -8.913
  461    HE2  LYS  62           HE2      LYS  62 -11.263   7.693  -9.365
  462    HE3  LYS  62           HE3      LYS  62 -11.131   9.055  -8.251
  463    HZ1  LYS  62           HZ1      LYS  62 -12.585   9.535 -10.147
  464    HZ2  LYS  62           HZ2      LYS  62 -11.321  10.565 -10.191
  465    HZ3  LYS  62           HZ3      LYS  62 -11.380   9.281 -11.218
  466    H    ALA  63           H        ALA  63  -7.193  12.015  -6.206
  467    HA   ALA  63           HA       ALA  63  -5.211  10.411  -4.693
  468    HB1  ALA  63           HB1      ALA  63  -4.836  12.347  -3.255
  469    HB2  ALA  63           HB2      ALA  63  -4.418  12.744  -4.924
  470    HB3  ALA  63           HB3      ALA  63  -5.950  13.328  -4.233
  471    H    VAL  64           H        VAL  64  -6.735   8.908  -4.065
  472    HA   VAL  64           HA       VAL  64  -9.457   9.746  -3.440
  473    HB   VAL  64           HB       VAL  64  -8.511   6.861  -3.348
  474   HG11  VAL  64          HG11      VAL  64 -10.836   7.405  -2.765
  475   HG12  VAL  64          HG12      VAL  64 -11.064   8.165  -4.353
  476   HG13  VAL  64          HG13      VAL  64 -10.749   6.420  -4.228
  477   HG21  VAL  64          HG21      VAL  64  -7.479   7.559  -5.416
  478   HG22  VAL  64          HG22      VAL  64  -8.918   6.616  -5.788
  479   HG23  VAL  64          HG23      VAL  64  -8.974   8.385  -5.945
  480    H    SER  65           H        SER  65 -10.204   9.880  -1.282
  481    HA   SER  65           HA       SER  65  -8.339   9.344   0.839
  482    HB2  SER  65           HB2      SER  65 -11.224  10.241   1.071
  483    HB3  SER  65           HB3      SER  65  -9.902  10.476   2.239
  484    HG   SER  65           HG       SER  65 -10.261  12.362   0.984
  485    H    SER  66           H        SER  66  -8.670   6.911  -0.280
  486    HA   SER  66           HA       SER  66 -10.849   5.387   0.700
  487    HB2  SER  66           HB2      SER  66  -8.172   4.519  -0.451
  488    HB3  SER  66           HB3      SER  66  -9.638   3.517  -0.333
  489    HG   SER  66           HG       SER  66  -9.610   4.386  -2.379
  490    H    GLY  67           H        GLY  67  -7.705   6.088   2.203
  491    HA2  GLY  67           HA2      GLY  67  -7.090   5.770   4.373
  492    HA3  GLY  67           HA3      GLY  67  -8.678   5.069   4.710
  493    H    LYS  68           H        LYS  68  -6.047   3.997   2.467
  494    HA   LYS  68           HA       LYS  68  -6.249   1.251   3.575
  495    HB2  LYS  68           HB2      LYS  68  -4.629   2.317   1.234
  496    HB3  LYS  68           HB3      LYS  68  -4.788   0.626   1.681
  497    HG2  LYS  68           HG2      LYS  68  -7.025   2.425   0.665
  498    HG3  LYS  68           HG3      LYS  68  -6.235   1.103  -0.197
  499    HD2  LYS  68           HD2      LYS  68  -7.102  -0.493   1.551
  500    HD3  LYS  68           HD3      LYS  68  -8.038   0.855   2.247
  501    HE2  LYS  68           HE2      LYS  68  -9.195   1.172   0.068
  502    HE3  LYS  68           HE3      LYS  68  -8.264  -0.167  -0.620
  503    HZ1  LYS  68           HZ1      LYS  68  -9.328  -1.648   0.992
  504    HZ2  LYS  68           HZ2      LYS  68 -10.188  -0.406   1.632
  505    HZ3  LYS  68           HZ3      LYS  68 -10.458  -0.886   0.097
  506    H    ARG  69           H        ARG  69  -3.950   0.128   3.625
  507    HA   ARG  69           HA       ARG  69  -3.014   0.898   6.116
  508    HB2  ARG  69           HB2      ARG  69  -2.906  -1.387   5.278
  509    HB3  ARG  69           HB3      ARG  69  -1.734  -0.934   4.047
  510    HG2  ARG  69           HG2      ARG  69  -0.640  -2.108   5.853
  511    HG3  ARG  69           HG3      ARG  69  -0.044  -0.455   5.790
  512    HD2  ARG  69           HD2      ARG  69  -1.532   0.154   7.693
  513    HD3  ARG  69           HD3      ARG  69  -2.146  -1.494   7.757
  514    HE   ARG  69           HE       ARG  69   0.461  -0.457   8.635
  515   HH11  ARG  69          HH11      ARG  69  -1.393  -3.437   7.979
  516   HH12  ARG  69          HH12      ARG  69  -0.379  -4.439   8.945
  517   HH21  ARG  69          HH21      ARG  69   1.804  -1.802   9.909
  518   HH22  ARG  69          HH22      ARG  69   1.473  -3.486  10.073
  519    H    LYS  70           H        LYS  70  -0.916   1.082   3.129
  520    HA   LYS  70           HA       LYS  70   0.849   2.858   4.695
  521    HB2  LYS  70           HB2      LYS  70   1.942   1.092   3.473
  522    HB3  LYS  70           HB3      LYS  70   1.290   1.659   1.934
  523    HG2  LYS  70           HG2      LYS  70   2.593   3.871   3.381
  524    HG3  LYS  70           HG3      LYS  70   3.697   2.486   3.241
  525    HD2  LYS  70           HD2      LYS  70   3.329   2.511   0.766
  526    HD3  LYS  70           HD3      LYS  70   2.231   3.900   0.988
  527    HE2  LYS  70           HE2      LYS  70   4.133   5.136   2.114
  528    HE3  LYS  70           HE3      LYS  70   5.206   3.803   1.654
  529    HZ1  LYS  70           HZ1      LYS  70   3.652   5.494  -0.234
  530    HZ2  LYS  70           HZ2      LYS  70   5.269   5.629   0.058
  531    HZ3  LYS  70           HZ3      LYS  70   4.702   4.278  -0.671
  532    H    GLU  71           H        GLU  71  -0.414   3.056   1.310
  533    HA   GLU  71           HA       GLU  71  -0.196   5.925   1.418
  534    HB2  GLU  71           HB2      GLU  71  -1.492   4.011  -0.580
  535    HB3  GLU  71           HB3      GLU  71  -1.592   5.756  -0.760
  536    HG2  GLU  71           HG2      GLU  71   0.965   4.123  -0.805
  537    HG3  GLU  71           HG3      GLU  71   0.092   4.722  -2.205
  538    H    GLY  72           H        GLY  72  -1.648   6.929   2.893
  539    HA2  GLY  72           HA2      GLY  72  -4.104   5.716   3.746
  540    HA3  GLY  72           HA3      GLY  72  -3.601   7.402   4.030
  541    H    ILE  73           H        ILE  73  -3.472   8.667   1.801
  542    HA   ILE  73           HA       ILE  73  -6.046   8.419   0.388
  543    HB   ILE  73           HB       ILE  73  -3.798  10.470   0.416
  544   HG12  ILE  73          HG12      ILE  73  -5.429  12.040   1.209
  545   HG13  ILE  73          HG13      ILE  73  -6.746  10.882   1.053
  546   HG21  ILE  73          HG21      ILE  73  -4.667  10.290  -1.893
  547   HG22  ILE  73          HG22      ILE  73  -6.326  10.453  -1.280
  548   HG23  ILE  73          HG23      ILE  73  -5.186  11.807  -1.130
  549   HD11  ILE  73          HD11      ILE  73  -6.075  11.373   3.387
  550   HD12  ILE  73          HD12      ILE  73  -5.983   9.657   2.992
  551   HD13  ILE  73          HD13      ILE  73  -4.488  10.645   3.073
  552    H    ILE  74           H        ILE  74  -6.047   7.307  -1.611
  553    HA   ILE  74           HA       ILE  74  -3.564   5.952  -2.441
  554    HB   ILE  74           HB       ILE  74  -6.468   5.795  -3.351
  555   HG12  ILE  74          HG12      ILE  74  -6.052   4.763  -1.173
  556   HG13  ILE  74          HG13      ILE  74  -6.450   3.556  -2.392
  557   HG21  ILE  74          HG21      ILE  74  -5.206   5.358  -5.332
  558   HG22  ILE  74          HG22      ILE  74  -4.059   4.313  -4.471
  559   HG23  ILE  74          HG23      ILE  74  -5.746   3.800  -4.710
  560   HD11  ILE  74          HD11      ILE  74  -4.675   2.700  -1.004
  561   HD12  ILE  74          HD12      ILE  74  -3.960   3.042  -2.579
  562   HD13  ILE  74          HD13      ILE  74  -3.717   4.167  -1.218
  563    H    HIS  75           H        HIS  75  -2.224   6.996  -3.800
  564    HA   HIS  75           HA       HIS  75  -3.304   9.195  -5.473
  565    HB2  HIS  75           HB2      HIS  75  -0.499   8.462  -4.603
  566    HB3  HIS  75           HB3      HIS  75  -0.860   9.675  -5.827
  567    HD1  HIS  75           HD1      HIS  75  -1.719   9.109  -2.043
  568    HD2  HIS  75           HD2      HIS  75  -1.475  12.064  -5.035
  569    HE1  HIS  75           HE1      HIS  75  -2.004  11.362  -0.879
  570    H    THR  76           H        THR  76  -3.585   8.873  -7.614
  571    HA   THR  76           HA       THR  76  -2.029   6.756  -8.999
  572    HB   THR  76           HB       THR  76  -4.943   7.292  -9.669
  573    HG1  THR  76           HG1      THR  76  -4.027   5.273  -7.845
  574   HG21  THR  76          HG21      THR  76  -3.660   6.108 -11.342
  575   HG22  THR  76          HG22      THR  76  -3.088   4.921 -10.141
  576   HG23  THR  76          HG23      THR  76  -4.818   5.013 -10.558
  577    H    LEU  77           H        LEU  77  -1.422   7.418 -11.147
  578    HA   LEU  77           HA       LEU  77  -2.215  10.195 -11.868
  579    HB2  LEU  77           HB2      LEU  77   0.173   9.825 -11.871
  580    HB3  LEU  77           HB3      LEU  77  -0.010   8.365 -12.850
  581    HG   LEU  77           HG       LEU  77  -0.913   9.788 -14.719
  582   HD11  LEU  77          HD11      LEU  77  -1.717  11.758 -13.499
  583   HD12  LEU  77          HD12      LEU  77  -0.080  12.053 -12.858
  584   HD13  LEU  77          HD13      LEU  77  -0.419  12.249 -14.589
  585   HD21  LEU  77          HD21      LEU  77   1.428   9.099 -14.659
  586   HD22  LEU  77          HD22      LEU  77   1.295  10.746 -15.305
  587   HD23  LEU  77          HD23      LEU  77   1.839  10.489 -13.629
  588    H    ILE  78           H        ILE  78  -3.716  10.439 -13.412
  589    HA   ILE  78           HA       ILE  78  -4.385   8.167 -15.167
  590    HB   ILE  78           HB       ILE  78  -6.032  10.332 -13.873
  591   HG12  ILE  78          HG12      ILE  78  -7.730   8.531 -13.727
  592   HG13  ILE  78          HG13      ILE  78  -6.642   7.421 -14.561
  593   HG21  ILE  78          HG21      ILE  78  -7.855   9.882 -15.571
  594   HG22  ILE  78          HG22      ILE  78  -6.519  10.917 -16.075
  595   HG23  ILE  78          HG23      ILE  78  -6.601   9.201 -16.620
  596   HD11  ILE  78          HD11      ILE  78  -6.762   7.173 -12.066
  597   HD12  ILE  78          HD12      ILE  78  -5.133   7.413 -12.688
  598   HD13  ILE  78          HD13      ILE  78  -5.998   8.783 -11.926
  599    H    VAL  79           H        VAL  79  -4.147   8.641 -17.405
  600    HA   VAL  79           HA       VAL  79  -3.698  11.412 -18.217
  601    HB   VAL  79           HB       VAL  79  -1.927   9.119 -19.089
  602   HG11  VAL  79          HG11      VAL  79  -0.601  10.858 -20.259
  603   HG12  VAL  79          HG12      VAL  79  -2.236  10.759 -20.906
  604   HG13  VAL  79          HG13      VAL  79  -1.805  12.084 -19.808
  605   HG21  VAL  79          HG21      VAL  79  -1.432  11.458 -17.218
  606   HG22  VAL  79          HG22      VAL  79  -1.271   9.719 -16.881
  607   HG23  VAL  79          HG23      VAL  79  -0.128  10.545 -17.964
  608    H    ASP  80           H        ASP  80  -4.795  11.926 -20.004
  609    HA   ASP  80           HA       ASP  80  -6.571  11.779 -21.378
  610    HB2  ASP  80           HB2      ASP  80  -4.595  11.293 -22.777
  611    HB3  ASP  80           HB3      ASP  80  -4.926   9.566 -22.621
  612    H    ASN  81           H        ASN  81  -7.164  10.609 -19.059
  613    HA   ASN  81           HA       ASN  81  -8.678   9.469 -17.959
  614    HB2  ASN  81           HB2      ASN  81 -10.145  10.393 -19.795
  615    HB3  ASN  81           HB3      ASN  81 -10.081   8.794 -20.538
  616   HD21  ASN  81          HD22      ASN  81 -12.359   8.373 -20.239
  617   HD22  ASN  81          HD21      ASN  81 -13.060   8.157 -18.652
  618    H    ARG  82           H        ARG  82  -6.294   7.838 -19.190
  619    HA   ARG  82           HA       ARG  82  -7.370   5.272 -18.172
  620    HB2  ARG  82           HB2      ARG  82  -5.205   5.782 -20.267
  621    HB3  ARG  82           HB3      ARG  82  -5.349   4.259 -19.385
  622    HG2  ARG  82           HG2      ARG  82  -6.792   3.606 -20.978
  623    HG3  ARG  82           HG3      ARG  82  -7.947   4.613 -20.105
  624    HD2  ARG  82           HD2      ARG  82  -8.169   5.179 -22.390
  625    HD3  ARG  82           HD3      ARG  82  -7.366   6.521 -21.576
  626    HE   ARG  82           HE       ARG  82  -5.630   4.516 -22.883
  627   HH11  ARG  82          HH21      ARG  82  -7.123   7.719 -23.062
  628   HH12  ARG  82          HH22      ARG  82  -6.281   8.225 -24.476
  629   HH21  ARG  82          HH11      ARG  82  -4.415   5.189 -24.749
  630   HH22  ARG  82          HH12      ARG  82  -4.699   6.739 -25.457
  631    H    GLU  83           H        GLU  83  -5.972   4.013 -16.906
  632    HA   GLU  83           HA       GLU  83  -4.831   5.741 -14.869
  633    HB2  GLU  83           HB2      GLU  83  -6.536   4.245 -14.210
  634    HB3  GLU  83           HB3      GLU  83  -5.743   2.848 -14.976
  635    HG2  GLU  83           HG2      GLU  83  -3.920   2.960 -13.327
  636    HG3  GLU  83           HG3      GLU  83  -4.640   4.417 -12.645
  637    H    ILE  84           H        ILE  84  -2.741   5.736 -14.146
  638    HA   ILE  84           HA       ILE  84  -0.722   4.081 -15.551
  639    HB   ILE  84           HB       ILE  84  -0.454   6.933 -14.526
  640   HG12  ILE  84          HG12      ILE  84  -1.954   7.088 -16.370
  641   HG13  ILE  84          HG13      ILE  84  -0.376   7.710 -16.799
  642   HG21  ILE  84          HG21      ILE  84   1.654   6.986 -15.761
  643   HG22  ILE  84          HG22      ILE  84   1.671   5.719 -14.536
  644   HG23  ILE  84          HG23      ILE  84   1.444   5.291 -16.245
  645   HD11  ILE  84          HD11      ILE  84   0.123   5.714 -18.133
  646   HD12  ILE  84          HD12      ILE  84  -1.413   4.976 -17.624
  647   HD13  ILE  84          HD13      ILE  84  -1.424   6.433 -18.628
  648    HA   PRO  85           HA       PRO  85  -0.309   2.961 -11.168
  649    HB2  PRO  85           HB2      PRO  85   1.402   0.852 -11.367
  650    HB3  PRO  85           HB3      PRO  85  -0.310   0.764 -11.897
  651    HG2  PRO  85           HG2      PRO  85   2.146   1.279 -13.608
  652    HG3  PRO  85           HG3      PRO  85   0.812   0.120 -13.908
  653    HD2  PRO  85           HD2      PRO  85   0.881   2.605 -15.055
  654    HD3  PRO  85           HD3      PRO  85  -0.661   1.837 -14.571
  655    H    GLU  86           H        GLU  86   1.185   3.449  -9.484
  656    HA   GLU  86           HA       GLU  86   3.394   5.174 -10.189
  657    HB2  GLU  86           HB2      GLU  86   3.496   5.813  -8.062
  658    HB3  GLU  86           HB3      GLU  86   1.813   5.331  -8.135
  659    HG2  GLU  86           HG2      GLU  86   2.430   3.147  -7.086
  660    HG3  GLU  86           HG3      GLU  86   4.121   3.695  -7.002
  661    H    ILE  87           H        ILE  87   5.592   4.827  -9.377
  662    HA   ILE  87           HA       ILE  87   6.465   2.036  -9.138
  663    HB   ILE  87           HB       ILE  87   8.581   2.803 -10.078
  664   HG12  ILE  87          HG12      ILE  87   7.245   5.250 -11.229
  665   HG13  ILE  87          HG13      ILE  87   8.228   5.277  -9.764
  666   HG21  ILE  87          HG21      ILE  87   6.270   3.094 -12.039
  667   HG22  ILE  87          HG22      ILE  87   7.909   2.534 -12.416
  668   HG23  ILE  87          HG23      ILE  87   6.882   1.547 -11.378
  669   HD11  ILE  87          HD11      ILE  87   9.613   5.871 -11.721
  670   HD12  ILE  87          HD12      ILE  87  10.171   4.366 -10.985
  671   HD13  ILE  87          HD13      ILE  87   9.231   4.330 -12.488
  672    H    ALA  88           H        ALA  88   8.407   1.849  -7.839
  673    HA   ALA  88           HA       ALA  88   9.316   1.954  -5.769
  674    HB1  ALA  88           HB1      ALA  88   9.417   4.919  -6.301
  675    HB2  ALA  88           HB2      ALA  88  10.427   3.999  -5.162
  676    HB3  ALA  88           HB3      ALA  88  10.586   3.715  -6.918
  677    H    SER  89           H        SER  89   6.704   1.709  -5.746
  678    HA   SER  89           HA       SER  89   5.035   3.374  -4.346
  679    HB2  SER  89           HB2      SER  89   4.978   0.358  -4.017
  680    HB3  SER  89           HB3      SER  89   3.613   1.479  -4.034
  681    HG   SER  89           HG       SER  89   3.882   0.325  -6.061
  Start of MODEL    5
    1    H1   GLU   1           H1       GLU   1   2.501   4.815   6.619
    2    H2   GLU   1           H2       GLU   1   2.586   6.122   5.642
    3    H3   GLU   1           H3       GLU   1   2.447   4.620   4.988
    4    HA   GLU   1           HA       GLU   1   4.595   3.988   5.865
    5    HB2  GLU   1           HB2      GLU   1   4.394   4.921   3.560
    6    HB3  GLU   1           HB3      GLU   1   4.685   6.539   4.193
    7    HG2  GLU   1           HG2      GLU   1   6.675   5.572   3.126
    8    HG3  GLU   1           HG3      GLU   1   6.973   5.924   4.818
    9    H    ASP   2           H        ASP   2   6.550   4.587   7.000
   10    HA   ASP   2           HA       ASP   2   6.012   6.261   9.335
   11    HB2  ASP   2           HB2      ASP   2   7.248   4.205   9.583
   12    HB3  ASP   2           HB3      ASP   2   8.444   4.714   8.383
   13    H    ARG   3           H        ARG   3   8.087   6.493   6.446
   14    HA   ARG   3           HA       ARG   3   9.090   9.164   7.159
   15    HB2  ARG   3           HB2      ARG   3   9.448   7.272   4.815
   16    HB3  ARG   3           HB3      ARG   3   9.760   8.982   4.585
   17    HG2  ARG   3           HG2      ARG   3  11.797   7.751   5.080
   18    HG3  ARG   3           HG3      ARG   3  11.482   9.028   6.250
   19    HD2  ARG   3           HD2      ARG   3  10.791   7.432   7.931
   20    HD3  ARG   3           HD3      ARG   3  10.863   6.091   6.769
   21    HE   ARG   3           HE       ARG   3  13.376   7.039   6.602
   22   HH11  ARG   3          HH12      ARG   3  11.455   6.172   9.507
   23   HH12  ARG   3          HH11      ARG   3  12.852   5.707  10.417
   24   HH21  ARG   3          HH21      ARG   3  15.190   6.434   7.841
   25   HH22  ARG   3          HH22      ARG   3  15.003   5.864   9.459
   26    H    SER   4           H        SER   4   8.440  11.101   6.154
   27    HA   SER   4           HA       SER   4   5.671  11.321   5.669
   28    HB2  SER   4           HB2      SER   4   7.825  13.366   5.023
   29    HB3  SER   4           HB3      SER   4   6.129  13.674   5.428
   30    HG   SER   4           HG       SER   4   7.516  14.004   7.241
   31    H    LYS   5           H        LYS   5   8.341  10.853   3.450
   32    HA   LYS   5           HA       LYS   5   8.604  10.784   1.231
   33    HB2  LYS   5           HB2      LYS   5   7.143   8.805   1.631
   34    HB3  LYS   5           HB3      LYS   5   5.733   9.780   1.242
   35    HG2  LYS   5           HG2      LYS   5   6.235   8.522  -0.696
   36    HG3  LYS   5           HG3      LYS   5   6.717  10.178  -1.049
   37    HD2  LYS   5           HD2      LYS   5   9.118   9.493  -0.459
   38    HD3  LYS   5           HD3      LYS   5   8.542   7.827  -0.344
   39    HE2  LYS   5           HE2      LYS   5   8.485   9.632  -2.809
   40    HE3  LYS   5           HE3      LYS   5   9.626   8.337  -2.519
   41    HZ1  LYS   5           HZ1      LYS   5   7.816   6.733  -2.656
   42    HZ2  LYS   5           HZ2      LYS   5   6.691   7.920  -2.887
   43    HZ3  LYS   5           HZ3      LYS   5   7.791   7.669  -4.013
   44    H    THR   6           H        THR   6   8.936  13.024   1.031
   45    HA   THR   6           HA       THR   6   7.003  14.997   0.746
   46    HB   THR   6           HB       THR   6   9.815  14.776  -0.410
   47    HG1  THR   6           HG1      THR   6  10.442  15.639   1.565
   48   HG21  THR   6          HG21      THR   6   8.108  17.236   0.157
   49   HG22  THR   6          HG22      THR   6   9.857  17.277  -0.189
   50   HG23  THR   6          HG23      THR   6   8.727  16.679  -1.411
   51    H    THR   7           H        THR   7   8.274  12.843  -1.780
   52    HA   THR   7           HA       THR   7   6.597  14.258  -3.790
   53    HB   THR   7           HB       THR   7   8.620  13.457  -5.305
   54    HG1  THR   7           HG1      THR   7  10.571  13.382  -4.213
   55   HG21  THR   7          HG21      THR   7   9.855  15.676  -4.460
   56   HG22  THR   7          HG22      THR   7   8.312  15.732  -5.314
   57   HG23  THR   7          HG23      THR   7   8.327  15.892  -3.561
   58    H    ASN   8           H        ASN   8   5.865  13.063  -5.526
   59    HA   ASN   8           HA       ASN   8   5.914  10.065  -5.193
   60    HB2  ASN   8           HB2      ASN   8   3.652  11.691  -6.383
   61    HB3  ASN   8           HB3      ASN   8   3.754   9.936  -6.324
   62   HD21  ASN   8          HD22      ASN   8   4.026   8.997  -3.907
   63   HD22  ASN   8          HD21      ASN   8   2.993   9.797  -2.745
   64    H    THR   9           H        THR   9   6.887   9.070  -6.907
   65    HA   THR   9           HA       THR   9   7.327  10.740  -9.329
   66    HB   THR   9           HB       THR   9   9.210   8.740  -8.068
   67    HG1  THR   9           HG1      THR   9  10.401  10.495  -7.531
   68   HG21  THR   9          HG21      THR   9   9.487   8.534 -10.446
   69   HG22  THR   9          HG22      THR   9   9.449  10.276 -10.676
   70   HG23  THR   9          HG23      THR   9  10.824   9.524  -9.829
   71    H    TRP  10           H        TRP  10   6.984   9.844 -11.267
   72    HA   TRP  10           HA       TRP  10   6.223   6.985 -11.491
   73    HB2  TRP  10           HB2      TRP  10   4.681   9.344 -12.667
   74    HB3  TRP  10           HB3      TRP  10   4.334   7.646 -12.938
   75    HD1  TRP  10           HD1      TRP  10   3.285   6.295 -10.913
   76    HE1  TRP  10           HE1      TRP  10   1.824   6.977  -8.930
   77    HE3  TRP  10           HE3      TRP  10   4.272  11.268 -10.973
   78    HZ2  TRP  10           HZ2      TRP  10   1.035   9.483  -7.638
   79    HZ3  TRP  10           HZ3      TRP  10   3.027  12.817  -9.510
   80    HH2  TRP  10           HH2      TRP  10   1.407  11.942  -7.828
   81    H    VAL  11           H        VAL  11   6.600   6.225 -13.668
   82    HA   VAL  11           HA       VAL  11   7.905   8.126 -15.472
   83    HB   VAL  11           HB       VAL  11   9.645   6.751 -14.469
   84   HG11  VAL  11          HG11      VAL  11   8.278   4.336 -15.718
   85   HG12  VAL  11          HG12      VAL  11   9.856   4.360 -14.901
   86   HG13  VAL  11          HG13      VAL  11   8.384   4.689 -13.979
   87   HG21  VAL  11          HG21      VAL  11   9.911   7.594 -16.779
   88   HG22  VAL  11          HG22      VAL  11  10.742   6.044 -16.547
   89   HG23  VAL  11          HG23      VAL  11   9.198   6.102 -17.421
   90    H    LEU  12           H        LEU  12   7.204   8.065 -17.554
   91    HA   LEU  12           HA       LEU  12   4.953   6.197 -18.181
   92    HB2  LEU  12           HB2      LEU  12   5.334   9.109 -19.014
   93    HB3  LEU  12           HB3      LEU  12   4.000   8.052 -19.485
   94    HG   LEU  12           HG       LEU  12   4.537   9.012 -16.648
   95   HD11  LEU  12          HD11      LEU  12   3.893  10.833 -18.190
   96   HD12  LEU  12          HD12      LEU  12   2.495   9.895 -18.743
   97   HD13  LEU  12          HD13      LEU  12   2.583  10.479 -17.062
   98   HD21  LEU  12          HD21      LEU  12   2.287   8.081 -16.242
   99   HD22  LEU  12          HD22      LEU  12   2.238   7.442 -17.910
  100   HD23  LEU  12          HD23      LEU  12   3.413   6.812 -16.747
  101    H    HIS  13           H        HIS  13   5.342   5.018 -19.967
  102    HA   HIS  13           HA       HIS  13   7.470   5.900 -21.803
  103    HB2  HIS  13           HB2      HIS  13   7.731   3.585 -21.131
  104    HB3  HIS  13           HB3      HIS  13   6.052   3.230 -21.542
  105    HD1  HIS  13           HD1      HIS  13   5.818   2.135 -23.898
  106    HD2  HIS  13           HD2      HIS  13   9.158   4.671 -23.487
  107    HE1  HIS  13           HE1      HIS  13   7.043   2.083 -26.132
  108    H    MET  14           H        MET  14   6.770   7.063 -23.558
  109    HA   MET  14           HA       MET  14   4.147   6.570 -24.735
  110    HB2  MET  14           HB2      MET  14   4.941   9.330 -23.712
  111    HB3  MET  14           HB3      MET  14   3.513   8.948 -24.673
  112    HG2  MET  14           HG2      MET  14   2.733   7.448 -22.810
  113    HG3  MET  14           HG3      MET  14   4.091   8.015 -21.838
  114    HE1  MET  14           HE1      MET  14   4.434  10.611 -21.194
  115    HE2  MET  14           HE2      MET  14   3.962  11.289 -22.773
  116    HE3  MET  14           HE3      MET  14   3.139  11.824 -21.299
  117    H    ASP  15           H        ASP  15   4.261   6.852 -26.921
  118    HA   ASP  15           HA       ASP  15   5.209   7.053 -28.952
  119    HB2  ASP  15           HB2      ASP  15   4.288   9.285 -28.448
  120    HB3  ASP  15           HB3      ASP  15   5.894   9.825 -27.950
  121    H    GLY  16           H        GLY  16   6.957   5.678 -27.255
  122    HA2  GLY  16           HA2      GLY  16   8.986   4.672 -27.575
  123    HA3  GLY  16           HA3      GLY  16   9.354   5.823 -28.860
  124    H    GLU  17           H        GLU  17   8.512   7.488 -25.958
  125    HA   GLU  17           HA       GLU  17  11.315   7.687 -25.090
  126    HB2  GLU  17           HB2      GLU  17   9.240   9.871 -25.460
  127    HB3  GLU  17           HB3      GLU  17  10.568  10.044 -24.302
  128    HG2  GLU  17           HG2      GLU  17  12.211   9.606 -26.103
  129    HG3  GLU  17           HG3      GLU  17  10.902   9.495 -27.287
  130    H    ASN  18           H        ASN  18  11.587   8.150 -22.810
  131    HA   ASN  18           HA       ASN  18   9.322   7.257 -21.131
  132    HB2  ASN  18           HB2      ASN  18  12.271   6.710 -20.850
  133    HB3  ASN  18           HB3      ASN  18  11.280   6.900 -19.413
  134   HD21  ASN  18          HD22      ASN  18  11.874   4.787 -22.204
  135   HD22  ASN  18          HD21      ASN  18  10.849   3.492 -21.639
  136    H    PHE  19           H        PHE  19   8.461   8.819 -19.997
  137    HA   PHE  19           HA       PHE  19   9.988  11.348 -19.468
  138    HB2  PHE  19           HB2      PHE  19   6.979  10.824 -19.565
  139    HB3  PHE  19           HB3      PHE  19   7.739  12.366 -19.226
  140    HD1  PHE  19           HD2      PHE  19   7.075   9.821 -21.854
  141    HD2  PHE  19           HD1      PHE  19   8.629  13.761 -21.005
  142    HE1  PHE  19           HE2      PHE  19   7.154  10.323 -24.279
  143    HE2  PHE  19           HE1      PHE  19   8.713  14.243 -23.439
  144    HZ   PHE  19           HZ       PHE  19   8.005  12.502 -25.082
  145    H    ARG  20           H        ARG  20  10.628  11.568 -17.316
  146    HA   ARG  20           HA       ARG  20   9.256  10.044 -15.209
  147    HB2  ARG  20           HB2      ARG  20  11.632  11.918 -15.177
  148    HB3  ARG  20           HB3      ARG  20  10.783  11.407 -13.713
  149    HG2  ARG  20           HG2      ARG  20  11.024   8.979 -14.953
  150    HG3  ARG  20           HG3      ARG  20  12.489   9.785 -15.558
  151    HD2  ARG  20           HD2      ARG  20  13.005  10.360 -13.146
  152    HD3  ARG  20           HD3      ARG  20  11.548   9.426 -12.703
  153    HE   ARG  20           HE       ARG  20  13.092   7.699 -14.254
  154   HH11  ARG  20          HH11      ARG  20  13.647   9.438 -11.188
  155   HH12  ARG  20          HH12      ARG  20  14.773   8.278 -10.583
  156   HH21  ARG  20          HH21      ARG  20  14.580   6.161 -13.435
  157   HH22  ARG  20          HH22      ARG  20  15.313   6.374 -11.888
  158    H    ILE  21           H        ILE  21   7.938  10.894 -13.718
  159    HA   ILE  21           HA       ILE  21   7.066  13.690 -14.005
  160    HB   ILE  21           HB       ILE  21   5.325  11.351 -13.209
  161   HG12  ILE  21          HG12      ILE  21   5.793  11.340 -15.592
  162   HG13  ILE  21          HG13      ILE  21   4.088  11.622 -15.237
  163   HG21  ILE  21          HG21      ILE  21   4.599  14.297 -13.488
  164   HG22  ILE  21          HG22      ILE  21   3.453  12.964 -13.188
  165   HG23  ILE  21          HG23      ILE  21   4.651  13.376 -11.961
  166   HD11  ILE  21          HD11      ILE  21   4.939  12.966 -17.123
  167   HD12  ILE  21          HD12      ILE  21   4.342  13.997 -15.805
  168   HD13  ILE  21          HD13      ILE  21   6.092  13.758 -16.053
  169    H    VAL  22           H        VAL  22   7.345  14.744 -11.946
  170    HA   VAL  22           HA       VAL  22   7.285  13.036  -9.571
  171    HB   VAL  22           HB       VAL  22   9.278  15.287  -9.985
  172   HG11  VAL  22          HG11      VAL  22  10.214  14.483  -7.815
  173   HG12  VAL  22          HG12      VAL  22   8.539  15.018  -7.630
  174   HG13  VAL  22          HG13      VAL  22   8.909  13.282  -7.706
  175   HG21  VAL  22          HG21      VAL  22  11.035  13.545  -9.903
  176   HG22  VAL  22          HG22      VAL  22   9.768  12.297  -9.903
  177   HG23  VAL  22          HG23      VAL  22   9.980  13.363 -11.316
  178    H    LEU  23           H        LEU  23   5.609  13.686  -8.412
  179    HA   LEU  23           HA       LEU  23   4.527  16.469  -8.627
  180    HB2  LEU  23           HB2      LEU  23   2.816  14.846  -8.580
  181    HB3  LEU  23           HB3      LEU  23   3.650  13.850  -7.395
  182    HG   LEU  23           HG       LEU  23   3.234  15.594  -5.619
  183   HD11  LEU  23          HD11      LEU  23   1.461  17.225  -5.940
  184   HD12  LEU  23          HD12      LEU  23   2.809  17.584  -7.019
  185   HD13  LEU  23          HD13      LEU  23   1.336  16.815  -7.663
  186   HD21  LEU  23          HD21      LEU  23   0.896  14.980  -5.262
  187   HD22  LEU  23          HD22      LEU  23   0.825  14.334  -6.925
  188   HD23  LEU  23          HD23      LEU  23   1.897  13.609  -5.724
  189    H    GLU  24           H        GLU  24   5.314  17.968  -7.191
  190    HA   GLU  24           HA       GLU  24   6.757  17.174  -4.744
  191    HB2  GLU  24           HB2      GLU  24   6.827  19.403  -6.630
  192    HB3  GLU  24           HB3      GLU  24   6.384  20.036  -5.051
  193    HG2  GLU  24           HG2      GLU  24   8.722  18.195  -5.620
  194    HG3  GLU  24           HG3      GLU  24   8.827  19.958  -5.526
  195    H    LYS  25           H        LYS  25   5.470  16.731  -2.970
  196    HA   LYS  25           HA       LYS  25   2.632  17.277  -3.177
  197    HB2  LYS  25           HB2      LYS  25   4.295  16.218  -0.900
  198    HB3  LYS  25           HB3      LYS  25   2.564  16.500  -0.771
  199    HG2  LYS  25           HG2      LYS  25   1.981  14.921  -2.415
  200    HG3  LYS  25           HG3      LYS  25   3.618  14.837  -3.073
  201    HD2  LYS  25           HD2      LYS  25   3.012  12.847  -1.767
  202    HD3  LYS  25           HD3      LYS  25   4.448  13.692  -1.194
  203    HE2  LYS  25           HE2      LYS  25   3.093  14.723   0.646
  204    HE3  LYS  25           HE3      LYS  25   1.663  13.855   0.068
  205    HZ1  LYS  25           HZ1      LYS  25   2.761  11.770   0.622
  206    HZ2  LYS  25           HZ2      LYS  25   4.165  12.530   1.018
  207    HZ3  LYS  25           HZ3      LYS  25   2.827  12.735   1.939
  208    H    ASP  26           H        ASP  26   5.320  19.016  -1.636
  209    HA   ASP  26           HA       ASP  26   3.825  20.421   0.308
  210    HB2  ASP  26           HB2      ASP  26   6.261  20.280   0.359
  211    HB3  ASP  26           HB3      ASP  26   6.375  21.231  -1.128
  212    H    ALA  27           H        ALA  27   4.683  21.332  -3.048
  213    HA   ALA  27           HA       ALA  27   2.986  23.718  -2.884
  214    HB1  ALA  27           HB1      ALA  27   5.314  23.989  -3.647
  215    HB2  ALA  27           HB2      ALA  27   5.015  22.847  -4.984
  216    HB3  ALA  27           HB3      ALA  27   4.166  24.399  -4.938
  217    H    MET  28           H        MET  28   2.781  20.485  -4.029
  218    HA   MET  28           HA       MET  28   1.604  19.363  -5.484
  219    HB2  MET  28           HB2      MET  28  -0.528  21.510  -5.251
  220    HB3  MET  28           HB3      MET  28  -0.706  19.910  -5.985
  221    HG2  MET  28           HG2      MET  28   0.094  18.949  -3.724
  222    HG3  MET  28           HG3      MET  28  -0.163  20.572  -3.083
  223    HE1  MET  28           HE1      MET  28  -1.640  17.201  -4.151
  224    HE2  MET  28           HE2      MET  28  -3.371  17.509  -4.387
  225    HE3  MET  28           HE3      MET  28  -2.196  18.119  -5.571
  226    H    ASP  29           H        ASP  29   3.674  20.863  -6.423
  227    HA   ASP  29           HA       ASP  29   2.862  21.812  -9.101
  228    HB2  ASP  29           HB2      ASP  29   4.425  23.252  -7.697
  229    HB3  ASP  29           HB3      ASP  29   5.626  21.956  -7.850
  230    H    VAL  30           H        VAL  30   4.015  20.760 -10.944
  231    HA   VAL  30           HA       VAL  30   4.896  18.000 -10.267
  232    HB   VAL  30           HB       VAL  30   2.785  18.656 -12.334
  233   HG11  VAL  30          HG11      VAL  30   4.218  16.760 -13.006
  234   HG12  VAL  30          HG12      VAL  30   3.960  15.990 -11.424
  235   HG13  VAL  30          HG13      VAL  30   2.605  16.198 -12.563
  236   HG21  VAL  30          HG21      VAL  30   1.849  18.812 -10.056
  237   HG22  VAL  30          HG22      VAL  30   1.219  17.461 -10.982
  238   HG23  VAL  30          HG23      VAL  30   2.456  17.171  -9.724
  239    H    TRP  31           H        TRP  31   6.791  17.722 -10.999
  240    HA   TRP  31           HA       TRP  31   7.915  19.246 -13.222
  241    HB2  TRP  31           HB2      TRP  31   9.264  17.038 -11.658
  242    HB3  TRP  31           HB3      TRP  31   9.989  18.424 -12.444
  243    HD1  TRP  31           HD1      TRP  31   8.775  17.181  -9.131
  244    HE1  TRP  31           HE1      TRP  31   9.058  18.921  -7.320
  245    HE3  TRP  31           HE3      TRP  31   9.683  21.224 -12.071
  246    HZ2  TRP  31           HZ2      TRP  31   9.669  21.746  -7.123
  247    HZ3  TRP  31           HZ3      TRP  31  10.163  23.450 -11.037
  248    HH2  TRP  31           HH2      TRP  31  10.144  23.715  -8.570
  249    H    CYS  32           H        CYS  32   7.724  18.378 -15.318
  250    HA   CYS  32           HA       CYS  32   7.684  15.399 -15.599
  251    HB2  CYS  32           HB2      CYS  32   5.597  16.321 -16.433
  252    HB3  CYS  32           HB3      CYS  32   6.490  17.557 -17.373
  253    HG   CYS  32           HG       CYS  32   5.588  15.836 -19.078
  254    H    ASN  33           H        ASN  33   9.489  14.628 -16.595
  255    HA   ASN  33           HA       ASN  33  11.636  14.624 -17.393
  256    HB2  ASN  33           HB2      ASN  33  10.218  15.047 -19.447
  257    HB3  ASN  33           HB3      ASN  33  10.621  16.751 -19.313
  258   HD21  ASN  33          HD22      ASN  33  12.097  13.462 -19.712
  259   HD22  ASN  33          HD21      ASN  33  13.499  14.042 -20.575
  260    H    GLY  34           H        GLY  34  11.294  16.199 -15.074
  261    HA2  GLY  34           HA2      GLY  34  12.590  17.507 -13.732
  262    HA3  GLY  34           HA3      GLY  34  13.748  17.680 -15.054
  263    H    LYS  35           H        LYS  35  10.589  18.755 -15.987
  264    HA   LYS  35           HA       LYS  35  11.304  21.625 -15.482
  265    HB2  LYS  35           HB2      LYS  35   9.991  20.311 -17.905
  266    HB3  LYS  35           HB3      LYS  35  10.271  22.041 -17.716
  267    HG2  LYS  35           HG2      LYS  35  12.649  21.797 -17.894
  268    HG3  LYS  35           HG3      LYS  35  12.571  20.050 -17.663
  269    HD2  LYS  35           HD2      LYS  35  11.307  19.839 -19.837
  270    HD3  LYS  35           HD3      LYS  35  11.541  21.572 -20.075
  271    HE2  LYS  35           HE2      LYS  35  13.235  20.456 -21.341
  272    HE3  LYS  35           HE3      LYS  35  14.032  21.215 -19.962
  273    HZ1  LYS  35           HZ1      LYS  35  14.050  18.995 -18.884
  274    HZ2  LYS  35           HZ2      LYS  35  13.356  18.312 -20.198
  275    HZ3  LYS  35           HZ3      LYS  35  14.840  18.973 -20.313
  276    H    LYS  36           H        LYS  36   9.484  22.884 -14.643
  277    HA   LYS  36           HA       LYS  36   7.281  21.214 -13.774
  278    HB2  LYS  36           HB2      LYS  36   6.672  22.667 -12.313
  279    HB3  LYS  36           HB3      LYS  36   8.283  23.289 -12.511
  280    HG2  LYS  36           HG2      LYS  36   5.793  24.424 -13.862
  281    HG3  LYS  36           HG3      LYS  36   6.408  24.969 -12.324
  282    HD2  LYS  36           HD2      LYS  36   7.985  25.093 -14.939
  283    HD3  LYS  36           HD3      LYS  36   7.038  26.423 -14.294
  284    HE2  LYS  36           HE2      LYS  36   9.447  25.146 -12.896
  285    HE3  LYS  36           HE3      LYS  36   9.478  26.627 -13.848
  286    HZ1  LYS  36           HZ1      LYS  36   9.322  27.138 -11.518
  287    HZ2  LYS  36           HZ2      LYS  36   7.944  27.626 -12.239
  288    HZ3  LYS  36           HZ3      LYS  36   7.953  26.265 -11.324
  289    H    LEU  37           H        LEU  37   5.127  21.239 -14.449
  290    HA   LEU  37           HA       LEU  37   4.622  22.618 -17.014
  291    HB2  LEU  37           HB2      LEU  37   3.114  20.802 -17.700
  292    HB3  LEU  37           HB3      LEU  37   4.832  20.445 -17.693
  293    HG   LEU  37           HG       LEU  37   4.627  19.216 -15.642
  294   HD11  LEU  37          HD11      LEU  37   2.732  20.129 -14.464
  295   HD12  LEU  37          HD12      LEU  37   1.645  19.752 -15.821
  296   HD13  LEU  37          HD13      LEU  37   2.352  18.451 -14.837
  297   HD21  LEU  37          HD21      LEU  37   4.372  18.124 -17.866
  298   HD22  LEU  37          HD22      LEU  37   3.447  17.263 -16.616
  299   HD23  LEU  37          HD23      LEU  37   2.617  18.342 -17.765
  300    H    GLU  38           H        GLU  38   2.222  22.785 -17.449
  301    HA   GLU  38           HA       GLU  38   1.126  24.381 -15.322
  302    HB2  GLU  38           HB2      GLU  38  -0.620  24.937 -16.925
  303    HB3  GLU  38           HB3      GLU  38   0.989  25.125 -17.638
  304    HG2  GLU  38           HG2      GLU  38   0.695  22.839 -18.720
  305    HG3  GLU  38           HG3      GLU  38  -0.957  22.819 -18.118
  306    H    THR  39           H        THR  39  -0.820  24.016 -14.204
  307    HA   THR  39           HA       THR  39  -2.094  21.340 -14.386
  308    HB   THR  39           HB       THR  39  -2.061  21.472 -11.797
  309    HG1  THR  39           HG1      THR  39  -0.300  22.490 -10.904
  310   HG21  THR  39          HG21      THR  39  -1.026  19.680 -13.120
  311   HG22  THR  39          HG22      THR  39   0.439  20.661 -13.347
  312   HG23  THR  39          HG23      THR  39  -0.011  20.091 -11.728
  313    H    ALA  40           H        ALA  40  -4.192  21.263 -13.634
  314    HA   ALA  40           HA       ALA  40  -5.491  23.742 -12.641
  315    HB1  ALA  40           HB1      ALA  40  -6.640  21.839 -14.745
  316    HB2  ALA  40           HB2      ALA  40  -7.509  23.175 -13.960
  317    HB3  ALA  40           HB3      ALA  40  -6.134  23.521 -15.033
  318    H    GLY  41           H        GLY  41  -7.056  23.177 -10.953
  319    HA2  GLY  41           HA2      GLY  41  -6.782  20.354  -9.979
  320    HA3  GLY  41           HA3      GLY  41  -6.689  21.777  -8.936
  321    H    GLU  42           H        GLU  42  -8.767  19.516 -10.442
  322    HA   GLU  42           HA       GLU  42 -11.156  21.141  -9.813
  323    HB2  GLU  42           HB2      GLU  42 -10.681  18.763 -11.621
  324    HB3  GLU  42           HB3      GLU  42 -12.270  18.971 -10.860
  325    HG2  GLU  42           HG2      GLU  42 -12.410  21.274 -11.690
  326    HG3  GLU  42           HG3      GLU  42 -10.849  21.091 -12.516
  327    H    PHE  43           H        PHE  43 -12.798  20.134  -8.474
  328    HA   PHE  43           HA       PHE  43 -11.686  18.115  -6.564
  329    HB2  PHE  43           HB2      PHE  43 -11.665  20.441  -5.632
  330    HB3  PHE  43           HB3      PHE  43 -13.422  20.481  -5.823
  331    HD1  PHE  43           HD1      PHE  43 -10.613  18.679  -4.106
  332    HD2  PHE  43           HD2      PHE  43 -14.853  19.482  -4.163
  333    HE1  PHE  43           HE1      PHE  43 -10.853  17.558  -1.913
  334    HE2  PHE  43           HE2      PHE  43 -15.090  18.354  -1.965
  335    HZ   PHE  43           HZ       PHE  43 -13.092  17.394  -0.833
  336    H    VAL  44           H        VAL  44 -13.032  16.486  -6.004
  337    HA   VAL  44           HA       VAL  44 -15.851  16.558  -6.848
  338    HB   VAL  44           HB       VAL  44 -15.356  14.008  -7.254
  339   HG11  VAL  44          HG11      VAL  44 -16.205  15.540  -8.912
  340   HG12  VAL  44          HG12      VAL  44 -14.557  16.121  -9.278
  341   HG13  VAL  44          HG13      VAL  44 -15.018  14.439  -9.638
  342   HG21  VAL  44          HG21      VAL  44 -13.024  13.990  -6.520
  343   HG22  VAL  44          HG22      VAL  44 -13.219  13.422  -8.185
  344   HG23  VAL  44          HG23      VAL  44 -12.575  15.044  -7.891
  345    H    ASP  45           H        ASP  45 -17.067  14.763  -5.794
  346    HA   ASP  45           HA       ASP  45 -16.601  14.781  -2.933
  347    HB2  ASP  45           HB2      ASP  45 -18.850  15.085  -3.846
  348    HB3  ASP  45           HB3      ASP  45 -18.794  13.466  -4.555
  349    H    ASP  46           H        ASP  46 -14.485  13.724  -3.867
  350    HA   ASP  46           HA       ASP  46 -14.293  10.900  -3.128
  351    HB2  ASP  46           HB2      ASP  46 -15.030  10.642  -5.425
  352    HB3  ASP  46           HB3      ASP  46 -13.943  11.908  -5.978
  353    H    GLY  47           H        GLY  47 -12.805  13.950  -4.395
  354    HA2  GLY  47           HA2      GLY  47 -10.719  14.238  -2.697
  355    HA3  GLY  47           HA3      GLY  47 -10.109  13.085  -3.897
  356    H    THR  48           H        THR  48  -8.631  14.590  -4.771
  357    HA   THR  48           HA       THR  48  -9.837  16.841  -6.286
  358    HB   THR  48           HB       THR  48  -6.964  16.828  -5.463
  359    HG1  THR  48           HG1      THR  48  -7.443  17.839  -3.522
  360   HG21  THR  48          HG21      THR  48  -7.683  18.553  -7.043
  361   HG22  THR  48          HG22      THR  48  -8.948  19.089  -5.913
  362   HG23  THR  48          HG23      THR  48  -7.232  19.287  -5.502
  363    H    GLU  49           H        GLU  49  -9.027  17.088  -8.395
  364    HA   GLU  49           HA       GLU  49  -7.313  14.924  -9.434
  365    HB2  GLU  49           HB2      GLU  49  -9.844  15.990 -10.706
  366    HB3  GLU  49           HB3      GLU  49  -8.653  14.938 -11.510
  367    HG2  GLU  49           HG2      GLU  49  -8.958  13.242  -9.728
  368    HG3  GLU  49           HG3      GLU  49 -10.221  14.231  -8.989
  369    H    THR  50           H        THR  50  -5.437  15.924  -9.831
  370    HA   THR  50           HA       THR  50  -5.441  18.748 -10.762
  371    HB   THR  50           HB       THR  50  -3.265  16.928  -9.714
  372    HG1  THR  50           HG1      THR  50  -4.634  17.856  -8.146
  373   HG21  THR  50          HG21      THR  50  -3.058  19.712 -10.914
  374   HG22  THR  50          HG22      THR  50  -1.836  19.033  -9.798
  375   HG23  THR  50          HG23      THR  50  -2.147  18.253 -11.353
  376    H    HIS  51           H        HIS  51  -5.767  18.854 -12.930
  377    HA   HIS  51           HA       HIS  51  -5.038  16.589 -14.680
  378    HB2  HIS  51           HB2      HIS  51  -6.665  19.115 -15.168
  379    HB3  HIS  51           HB3      HIS  51  -6.342  17.876 -16.377
  380    HD1  HIS  51           HD1      HIS  51  -7.797  15.632 -16.227
  381    HD2  HIS  51           HD2      HIS  51  -8.465  18.490 -13.200
  382    HE1  HIS  51           HE1      HIS  51  -9.886  14.884 -14.974
  383    H    PHE  52           H        PHE  52  -3.655  16.770 -16.436
  384    HA   PHE  52           HA       PHE  52  -2.648  19.302 -17.366
  385    HB2  PHE  52           HB2      PHE  52  -0.247  18.761 -17.100
  386    HB3  PHE  52           HB3      PHE  52  -1.063  19.077 -15.590
  387    HD1  PHE  52           HD2      PHE  52  -1.490  17.319 -13.942
  388    HD2  PHE  52           HD1      PHE  52   0.772  16.554 -17.540
  389    HE1  PHE  52           HE2      PHE  52  -0.486  15.332 -12.878
  390    HE2  PHE  52           HE1      PHE  52   1.785  14.552 -16.441
  391    HZ   PHE  52           HZ       PHE  52   1.196  13.968 -14.116
  392    H    SER  53           H        SER  53  -0.806  18.534 -19.175
  393    HA   SER  53           HA       SER  53  -1.564  16.016 -20.420
  394    HB2  SER  53           HB2      SER  53  -1.871  18.627 -21.963
  395    HB3  SER  53           HB3      SER  53  -2.090  16.986 -22.602
  396    HG   SER  53           HG       SER  53  -4.089  18.068 -22.048
  397    H    ILE  54           H        ILE  54  -0.007  15.337 -21.942
  398    HA   ILE  54           HA       ILE  54   2.503  16.917 -22.211
  399    HB   ILE  54           HB       ILE  54   2.189  14.023 -21.287
  400   HG12  ILE  54          HG12      ILE  54   3.786  16.200 -19.888
  401   HG13  ILE  54          HG13      ILE  54   2.071  16.023 -19.576
  402   HG21  ILE  54          HG21      ILE  54   4.034  14.147 -22.922
  403   HG22  ILE  54          HG22      ILE  54   4.733  15.535 -22.069
  404   HG23  ILE  54          HG23      ILE  54   4.697  13.936 -21.308
  405   HD11  ILE  54          HD11      ILE  54   2.306  13.773 -18.782
  406   HD12  ILE  54          HD12      ILE  54   4.052  13.781 -19.141
  407   HD13  ILE  54          HD13      ILE  54   3.381  14.879 -17.912
  408    H    GLY  55           H        GLY  55   2.459  17.277 -24.391
  409    HA2  GLY  55           HA2      GLY  55   2.065  16.967 -26.643
  410    HA3  GLY  55           HA3      GLY  55   2.259  15.222 -26.376
  411    H    ASN  56           H        ASN  56   0.467  14.287 -27.268
  412    HA   ASN  56           HA       ASN  56  -2.175  15.518 -27.117
  413    HB2  ASN  56           HB2      ASN  56  -1.315  14.268 -29.116
  414    HB3  ASN  56           HB3      ASN  56  -1.319  12.787 -28.150
  415   HD21  ASN  56          HD22      ASN  56  -3.087  11.542 -28.834
  416   HD22  ASN  56          HD21      ASN  56  -4.682  12.181 -29.150
  417    H    HIS  57           H        HIS  57  -0.410  13.691 -24.845
  418    HA   HIS  57           HA       HIS  57  -2.625  11.903 -24.079
  419    HB2  HIS  57           HB2      HIS  57   0.121  12.171 -22.809
  420    HB3  HIS  57           HB3      HIS  57  -1.033  10.863 -22.616
  421    HD1  HIS  57           HD1      HIS  57  -1.374   9.309 -24.994
  422    HD2  HIS  57           HD2      HIS  57   1.866  11.983 -24.725
  423    HE1  HIS  57           HE1      HIS  57   0.269   8.643 -26.823
  424    H    ASP  58           H        ASP  58  -4.104  12.577 -22.542
  425    HA   ASP  58           HA       ASP  58  -3.380  14.839 -20.782
  426    HB2  ASP  58           HB2      ASP  58  -5.501  15.239 -20.306
  427    HB3  ASP  58           HB3      ASP  58  -5.684  14.655 -21.957
  428    H    CYS  59           H        CYS  59  -3.422  14.676 -18.561
  429    HA   CYS  59           HA       CYS  59  -3.213  11.981 -17.352
  430    HB2  CYS  59           HB2      CYS  59  -1.278  14.203 -16.715
  431    HB3  CYS  59           HB3      CYS  59  -1.142  12.485 -16.338
  432    HG   CYS  59           HG       CYS  59  -1.048  14.040 -19.226
  433    H    TYR  60           H        TYR  60  -3.688  12.061 -15.006
  434    HA   TYR  60           HA       TYR  60  -3.907  14.698 -13.890
  435    HB2  TYR  60           HB2      TYR  60  -6.122  14.575 -13.024
  436    HB3  TYR  60           HB3      TYR  60  -6.154  14.418 -14.767
  437    HD1  TYR  60           HD1      TYR  60  -6.253  12.324 -11.640
  438    HD2  TYR  60           HD2      TYR  60  -7.434  12.712 -15.761
  439    HE1  TYR  60           HE1      TYR  60  -7.682  10.329 -11.412
  440    HE2  TYR  60           HE2      TYR  60  -9.035  10.838 -15.484
  441    HH   TYR  60           HH       TYR  60  -9.877   9.188 -14.014
  442    H    ILE  61           H        ILE  61  -3.546  14.747 -11.668
  443    HA   ILE  61           HA       ILE  61  -2.741  12.142 -10.483
  444    HB   ILE  61           HB       ILE  61  -2.343  15.008  -9.643
  445   HG12  ILE  61          HG12      ILE  61  -0.211  12.863  -9.967
  446   HG13  ILE  61          HG13      ILE  61  -0.853  13.669 -11.384
  447   HG21  ILE  61          HG21      ILE  61  -1.590  12.540  -8.003
  448   HG22  ILE  61          HG22      ILE  61  -1.215  14.245  -7.625
  449   HG23  ILE  61          HG23      ILE  61  -2.872  13.702  -7.591
  450   HD11  ILE  61          HD11      ILE  61  -0.268  15.890 -10.431
  451   HD12  ILE  61          HD12      ILE  61   0.490  15.074  -9.046
  452   HD13  ILE  61          HD13      ILE  61   1.145  14.836 -10.673
  453    H    LYS  62           H        LYS  62  -4.268  11.055  -9.380
  454    HA   LYS  62           HA       LYS  62  -6.759  12.415  -8.488
  455    HB2  LYS  62           HB2      LYS  62  -6.354   9.948  -9.662
  456    HB3  LYS  62           HB3      LYS  62  -6.267   9.493  -7.971
  457    HG2  LYS  62           HG2      LYS  62  -8.528  10.540  -7.618
  458    HG3  LYS  62           HG3      LYS  62  -8.566  10.989  -9.328
  459    HD2  LYS  62           HD2      LYS  62  -8.339   8.539  -9.948
  460    HD3  LYS  62           HD3      LYS  62  -8.373   8.151  -8.226
  461    HE2  LYS  62           HE2      LYS  62 -10.564   7.757  -8.910
  462    HE3  LYS  62           HE3      LYS  62 -10.649   9.324  -8.111
  463    HZ1  LYS  62           HZ1      LYS  62 -10.708  10.384 -10.326
  464    HZ2  LYS  62           HZ2      LYS  62 -10.508   8.930 -11.073
  465    HZ3  LYS  62           HZ3      LYS  62 -11.869   9.248 -10.230
  466    H    ALA  63           H        ALA  63  -6.432  13.437  -6.613
  467    HA   ALA  63           HA       ALA  63  -4.656  12.258  -4.548
  468    HB1  ALA  63           HB1      ALA  63  -5.781  15.062  -4.864
  469    HB2  ALA  63           HB2      ALA  63  -4.807  14.485  -3.508
  470    HB3  ALA  63           HB3      ALA  63  -4.089  14.548  -5.126
  471    H    VAL  64           H        VAL  64  -6.106  10.651  -4.004
  472    HA   VAL  64           HA       VAL  64  -8.949  11.144  -3.839
  473    HB   VAL  64           HB       VAL  64  -7.724   8.529  -2.971
  474   HG11  VAL  64          HG11      VAL  64  -9.611   7.605  -4.237
  475   HG12  VAL  64          HG12      VAL  64 -10.192   8.894  -3.178
  476   HG13  VAL  64          HG13      VAL  64  -9.980   9.208  -4.916
  477   HG21  VAL  64          HG21      VAL  64  -7.561   9.406  -5.866
  478   HG22  VAL  64          HG22      VAL  64  -6.227   8.894  -4.798
  479   HG23  VAL  64          HG23      VAL  64  -7.445   7.727  -5.305
  480    H    SER  65           H        SER  65 -10.031  11.567  -1.862
  481    HA   SER  65           HA       SER  65  -8.447  11.602   0.592
  482    HB2  SER  65           HB2      SER  65 -11.333  12.413   0.133
  483    HB3  SER  65           HB3      SER  65 -10.309  12.796   1.534
  484    HG   SER  65           HG       SER  65 -10.339  14.547   0.092
  485    H    SER  66           H        SER  66  -8.405   9.049  -0.071
  486    HA   SER  66           HA       SER  66 -10.755   7.541   0.516
  487    HB2  SER  66           HB2      SER  66  -7.848   6.672   0.253
  488    HB3  SER  66           HB3      SER  66  -9.274   5.612   0.180
  489    HG   SER  66           HG       SER  66  -8.718   6.122  -1.912
  490    H    GLY  67           H        GLY  67  -8.094   8.616   2.620
  491    HA2  GLY  67           HA2      GLY  67  -8.281   6.563   4.573
  492    HA3  GLY  67           HA3      GLY  67  -7.608   8.175   4.815
  493    H    LYS  68           H        LYS  68  -9.506   6.333   6.429
  494    HA   LYS  68           HA       LYS  68 -11.907   7.998   6.722
  495    HB2  LYS  68           HB2      LYS  68 -10.876   5.617   8.318
  496    HB3  LYS  68           HB3      LYS  68 -12.415   6.440   8.599
  497    HG2  LYS  68           HG2      LYS  68 -13.125   5.914   6.271
  498    HG3  LYS  68           HG3      LYS  68 -11.615   5.021   6.021
  499    HD2  LYS  68           HD2      LYS  68 -12.204   3.512   7.914
  500    HD3  LYS  68           HD3      LYS  68 -13.744   4.349   8.110
  501    HE2  LYS  68           HE2      LYS  68 -12.836   2.900   5.575
  502    HE3  LYS  68           HE3      LYS  68 -13.853   2.183   6.825
  503    HZ1  LYS  68           HZ1      LYS  68 -15.531   3.885   6.356
  504    HZ2  LYS  68           HZ2      LYS  68 -14.607   4.516   5.153
  505    HZ3  LYS  68           HZ3      LYS  68 -15.201   3.003   5.025
  506    H    ARG  69           H        ARG  69  -8.719   7.784   8.204
  507    HA   ARG  69           HA       ARG  69  -9.377   9.488  10.492
  508    HB2  ARG  69           HB2      ARG  69  -6.671   8.801   9.234
  509    HB3  ARG  69           HB3      ARG  69  -6.909   9.605  10.775
  510    HG2  ARG  69           HG2      ARG  69  -7.638   6.729  10.090
  511    HG3  ARG  69           HG3      ARG  69  -6.330   7.271  11.134
  512    HD2  ARG  69           HD2      ARG  69  -9.305   7.592  11.686
  513    HD3  ARG  69           HD3      ARG  69  -8.233   6.398  12.419
  514    HE   ARG  69           HE       ARG  69  -7.012   8.808  12.986
  515   HH11  ARG  69          HH11      ARG  69 -10.169   7.351  13.735
  516   HH12  ARG  69          HH12      ARG  69 -10.390   8.246  15.197
  517   HH21  ARG  69          HH21      ARG  69  -7.313   9.999  14.931
  518   HH22  ARG  69          HH22      ARG  69  -8.722   9.758  15.901
  519    H    LYS  70           H        LYS  70  -8.134  11.639  10.680
  520    HA   LYS  70           HA       LYS  70  -8.946  13.391   8.586
  521    HB2  LYS  70           HB2      LYS  70  -8.660  14.011  11.004
  522    HB3  LYS  70           HB3      LYS  70  -6.913  13.847  10.824
  523    HG2  LYS  70           HG2      LYS  70  -7.635  16.183  10.797
  524    HG3  LYS  70           HG3      LYS  70  -6.854  15.749   9.281
  525    HD2  LYS  70           HD2      LYS  70  -9.023  15.609   8.137
  526    HD3  LYS  70           HD3      LYS  70  -9.878  15.839   9.682
  527    HE2  LYS  70           HE2      LYS  70  -8.810  18.085   9.916
  528    HE3  LYS  70           HE3      LYS  70  -7.996  17.858   8.365
  529    HZ1  LYS  70           HZ1      LYS  70 -10.940  17.989   8.750
  530    HZ2  LYS  70           HZ2      LYS  70 -10.011  19.177   8.139
  531    HZ3  LYS  70           HZ3      LYS  70 -10.193  17.786   7.305
  532    H    GLU  71           H        GLU  71  -7.568  14.653   7.164
  533    HA   GLU  71           HA       GLU  71  -6.201  14.766   5.405
  534    HB2  GLU  71           HB2      GLU  71  -4.070  13.518   7.181
  535    HB3  GLU  71           HB3      GLU  71  -3.816  14.228   5.583
  536    HG2  GLU  71           HG2      GLU  71  -4.662  16.412   6.423
  537    HG3  GLU  71           HG3      GLU  71  -4.861  15.712   8.029
  538    H    GLY  72           H        GLY  72  -4.207  12.031   5.463
  539    HA2  GLY  72           HA2      GLY  72  -4.456   9.864   4.784
  540    HA3  GLY  72           HA3      GLY  72  -6.197  10.023   5.089
  541    H    ILE  73           H        ILE  73  -4.369  12.053   2.807
  542    HA   ILE  73           HA       ILE  73  -6.100  11.206   0.618
  543    HB   ILE  73           HB       ILE  73  -3.885  13.272   0.849
  544   HG12  ILE  73          HG12      ILE  73  -5.707  14.850   0.202
  545   HG13  ILE  73          HG13      ILE  73  -6.869  13.519   0.215
  546   HG21  ILE  73          HG21      ILE  73  -5.494  12.600  -1.647
  547   HG22  ILE  73          HG22      ILE  73  -4.380  13.975  -1.437
  548   HG23  ILE  73          HG23      ILE  73  -3.748  12.333  -1.446
  549   HD11  ILE  73          HD11      ILE  73  -6.715  13.318   2.587
  550   HD12  ILE  73          HD12      ILE  73  -5.297  14.414   2.656
  551   HD13  ILE  73          HD13      ILE  73  -6.907  15.034   2.218
  552    H    ILE  74           H        ILE  74  -5.476   9.895  -1.093
  553    HA   ILE  74           HA       ILE  74  -2.799   8.597  -1.045
  554    HB   ILE  74           HB       ILE  74  -5.406   7.760  -2.362
  555   HG12  ILE  74          HG12      ILE  74  -5.569   7.486   0.033
  556   HG13  ILE  74          HG13      ILE  74  -5.480   5.923  -0.763
  557   HG21  ILE  74          HG21      ILE  74  -4.219   5.613  -2.834
  558   HG22  ILE  74          HG22      ILE  74  -3.562   6.992  -3.719
  559   HG23  ILE  74          HG23      ILE  74  -2.700   6.361  -2.298
  560   HD11  ILE  74          HD11      ILE  74  -3.233   7.307   0.759
  561   HD12  ILE  74          HD12      ILE  74  -4.188   5.920   1.303
  562   HD13  ILE  74          HD13      ILE  74  -3.079   5.737  -0.071
  563    H    HIS  75           H        HIS  75  -1.447   9.240  -2.790
  564    HA   HIS  75           HA       HIS  75  -2.702  10.958  -4.898
  565    HB2  HIS  75           HB2      HIS  75   0.147  10.832  -3.858
  566    HB3  HIS  75           HB3      HIS  75  -0.333  11.675  -5.328
  567    HD1  HIS  75           HD1      HIS  75  -0.737  12.001  -1.501
  568    HD2  HIS  75           HD2      HIS  75  -1.601  13.995  -5.108
  569    HE1  HIS  75           HE1      HIS  75  -1.505  14.351  -0.867
  570    H    THR  76           H        THR  76  -2.981   9.945  -6.817
  571    HA   THR  76           HA       THR  76  -0.974   7.932  -7.669
  572    HB   THR  76           HB       THR  76  -3.906   7.722  -8.445
  573    HG1  THR  76           HG1      THR  76  -4.191   6.262  -6.735
  574   HG21  THR  76          HG21      THR  76  -2.458   6.464  -9.835
  575   HG22  THR  76          HG22      THR  76  -1.507   5.844  -8.458
  576   HG23  THR  76          HG23      THR  76  -3.177   5.309  -8.690
  577    H    LEU  77           H        LEU  77  -0.483   8.007  -9.941
  578    HA   LEU  77           HA       LEU  77  -1.491  10.418 -11.354
  579    HB2  LEU  77           HB2      LEU  77   0.912  10.212 -11.316
  580    HB3  LEU  77           HB3      LEU  77   0.827   8.536 -11.867
  581    HG   LEU  77           HG       LEU  77  -0.161   9.339 -14.030
  582   HD11  LEU  77          HD11      LEU  77  -1.130  11.496 -13.370
  583   HD12  LEU  77          HD12      LEU  77   0.467  12.089 -12.862
  584   HD13  LEU  77          HD13      LEU  77   0.118  11.770 -14.582
  585   HD21  LEU  77          HD21      LEU  77   2.533  10.522 -13.250
  586   HD22  LEU  77          HD22      LEU  77   2.216   8.866 -13.835
  587   HD23  LEU  77          HD23      LEU  77   1.949  10.246 -14.909
  588    H    ILE  78           H        ILE  78  -3.031  10.153 -12.885
  589    HA   ILE  78           HA       ILE  78  -3.482   7.476 -14.031
  590    HB   ILE  78           HB       ILE  78  -5.338   9.737 -13.293
  591   HG12  ILE  78          HG12      ILE  78  -6.856   7.901 -12.630
  592   HG13  ILE  78          HG13      ILE  78  -5.680   6.702 -13.169
  593   HG21  ILE  78          HG21      ILE  78  -5.798   7.840 -15.607
  594   HG22  ILE  78          HG22      ILE  78  -7.103   8.675 -14.755
  595   HG23  ILE  78          HG23      ILE  78  -5.866   9.639 -15.568
  596   HD11  ILE  78          HD11      ILE  78  -5.091   8.770 -11.036
  597   HD12  ILE  78          HD12      ILE  78  -5.807   7.171 -10.681
  598   HD13  ILE  78          HD13      ILE  78  -4.196   7.262 -11.402
  599    H    VAL  79           H        VAL  79  -3.370   7.429 -16.327
  600    HA   VAL  79           HA       VAL  79  -3.057   9.942 -17.791
  601    HB   VAL  79           HB       VAL  79  -1.194   7.563 -18.109
  602   HG11  VAL  79          HG11      VAL  79  -1.582   8.671 -20.271
  603   HG12  VAL  79          HG12      VAL  79  -1.224  10.255 -19.550
  604   HG13  VAL  79          HG13      VAL  79   0.049   9.021 -19.694
  605   HG21  VAL  79          HG21      VAL  79   0.575   9.151 -17.364
  606   HG22  VAL  79          HG22      VAL  79  -0.677  10.342 -16.983
  607   HG23  VAL  79          HG23      VAL  79  -0.617   8.799 -16.107
  608    H    ASP  80           H        ASP  80  -4.199   9.945 -19.646
  609    HA   ASP  80           HA       ASP  80  -5.981   9.379 -20.891
  610    HB2  ASP  80           HB2      ASP  80  -4.009   8.637 -22.182
  611    HB3  ASP  80           HB3      ASP  80  -4.250   6.997 -21.588
  612    H    ASN  81           H        ASN  81  -6.486   8.802 -18.343
  613    HA   ASN  81           HA       ASN  81  -7.908   7.896 -16.943
  614    HB2  ASN  81           HB2      ASN  81  -9.449   8.283 -18.918
  615    HB3  ASN  81           HB3      ASN  81  -9.332   6.550 -19.234
  616   HD21  ASN  81          HD22      ASN  81 -11.566   6.096 -18.750
  617   HD22  ASN  81          HD21      ASN  81 -12.229   6.281 -17.141
  618    H    ARG  82           H        ARG  82  -5.487   6.103 -17.834
  619    HA   ARG  82           HA       ARG  82  -6.411   3.823 -16.183
  620    HB2  ARG  82           HB2      ARG  82  -4.321   3.902 -18.410
  621    HB3  ARG  82           HB3      ARG  82  -4.346   2.645 -17.168
  622    HG2  ARG  82           HG2      ARG  82  -5.796   1.535 -18.493
  623    HG3  ARG  82           HG3      ARG  82  -6.982   2.678 -17.860
  624    HD2  ARG  82           HD2      ARG  82  -7.282   2.613 -20.207
  625    HD3  ARG  82           HD3      ARG  82  -6.570   4.167 -19.781
  626    HE   ARG  82           HE       ARG  82  -4.733   1.981 -20.606
  627   HH11  ARG  82          HH11      ARG  82  -6.344   5.005 -21.488
  628   HH12  ARG  82          HH12      ARG  82  -5.564   5.181 -23.012
  629   HH21  ARG  82          HH21      ARG  82  -3.590   2.222 -22.618
  630   HH22  ARG  82          HH22      ARG  82  -3.940   3.557 -23.658
  631    H    GLU  83           H        GLU  83  -4.953   2.997 -14.658
  632    HA   GLU  83           HA       GLU  83  -3.856   5.252 -13.189
  633    HB2  GLU  83           HB2      GLU  83  -5.520   3.831 -12.183
  634    HB3  GLU  83           HB3      GLU  83  -4.512   2.383 -12.418
  635    HG2  GLU  83           HG2      GLU  83  -2.814   3.362 -10.880
  636    HG3  GLU  83           HG3      GLU  83  -3.846   4.791 -10.714
  637    H    ILE  84           H        ILE  84  -1.763   5.523 -12.542
  638    HA   ILE  84           HA       ILE  84   0.304   3.678 -13.596
  639    HB   ILE  84           HB       ILE  84   0.457   6.691 -13.210
  640   HG12  ILE  84          HG12      ILE  84  -1.092   6.370 -15.009
  641   HG13  ILE  84          HG13      ILE  84   0.449   6.942 -15.604
  642   HG21  ILE  84          HG21      ILE  84   2.378   4.760 -14.555
  643   HG22  ILE  84          HG22      ILE  84   2.520   6.534 -14.523
  644   HG23  ILE  84          HG23      ILE  84   2.620   5.614 -13.018
  645   HD11  ILE  84          HD11      ILE  84   1.020   4.692 -16.443
  646   HD12  ILE  84          HD12      ILE  84  -0.514   4.066 -15.799
  647   HD13  ILE  84          HD13      ILE  84  -0.528   5.263 -17.101
  648    HA   PRO  85           HA       PRO  85   0.906   3.590  -9.059
  649    HB2  PRO  85           HB2      PRO  85   2.546   1.419  -8.882
  650    HB3  PRO  85           HB3      PRO  85   0.797   1.271  -9.223
  651    HG2  PRO  85           HG2      PRO  85   3.086   1.250 -11.216
  652    HG3  PRO  85           HG3      PRO  85   1.701   0.120 -11.110
  653    HD2  PRO  85           HD2      PRO  85   1.749   2.267 -12.823
  654    HD3  PRO  85           HD3      PRO  85   0.226   1.687 -12.060
  655    H    GLU  86           H        GLU  86   2.657   4.206  -7.651
  656    HA   GLU  86           HA       GLU  86   4.665   5.900  -8.738
  657    HB2  GLU  86           HB2      GLU  86   3.816   4.989  -6.062
  658    HB3  GLU  86           HB3      GLU  86   5.558   5.083  -6.196
  659    HG2  GLU  86           HG2      GLU  86   4.857   7.471  -7.372
  660    HG3  GLU  86           HG3      GLU  86   3.547   7.267  -6.221
  661    H    ILE  87           H        ILE  87   6.964   5.674  -8.563
  662    HA   ILE  87           HA       ILE  87   8.025   3.280  -9.684
  663    HB   ILE  87           HB       ILE  87  10.242   4.315  -9.109
  664   HG12  ILE  87          HG12      ILE  87   8.736   6.723  -8.161
  665   HG13  ILE  87          HG13      ILE  87   9.376   5.532  -7.041
  666   HG21  ILE  87          HG21      ILE  87  10.067   6.062 -10.790
  667   HG22  ILE  87          HG22      ILE  87   9.074   4.676 -11.244
  668   HG23  ILE  87          HG23      ILE  87   8.301   6.133 -10.579
  669   HD11  ILE  87          HD11      ILE  87  10.970   7.366  -7.261
  670   HD12  ILE  87          HD12      ILE  87  11.661   5.859  -7.882
  671   HD13  ILE  87          HD13      ILE  87  11.083   7.106  -9.011
  672    H    ALA  88           H        ALA  88   9.535   1.803  -8.825
  673    HA   ALA  88           HA       ALA  88   9.401   1.327  -5.907
  674    HB1  ALA  88           HB1      ALA  88   7.780  -0.121  -7.122
  675    HB2  ALA  88           HB2      ALA  88   9.126  -0.750  -8.107
  676    HB3  ALA  88           HB3      ALA  88   9.077  -1.066  -6.357
  677    H    SER  89           H        SER  89  11.386   2.573  -7.588
  678    HA   SER  89           HA       SER  89  13.661   0.942  -8.073
  679    HB2  SER  89           HB2      SER  89  13.665   3.894  -7.340
  680    HB3  SER  89           HB3      SER  89  14.871   3.007  -8.287
  681    HG   SER  89           HG       SER  89  13.478   4.135  -9.706
  Start of MODEL    6
    1    H1   GLU   1           H1       GLU   1   5.255  -1.397   1.202
    2    H2   GLU   1           H2       GLU   1   4.642   0.117   0.978
    3    H3   GLU   1           H3       GLU   1   5.833  -0.422  -0.002
    4    HA   GLU   1           HA       GLU   1   6.063   0.174   2.868
    5    HB2  GLU   1           HB2      GLU   1   8.130  -1.017   0.959
    6    HB3  GLU   1           HB3      GLU   1   8.562  -0.173   2.436
    7    HG2  GLU   1           HG2      GLU   1   8.626  -2.375   3.084
    8    HG3  GLU   1           HG3      GLU   1   7.094  -1.807   3.727
    9    H    ASP   2           H        ASP   2   7.511   2.019   3.321
   10    HA   ASP   2           HA       ASP   2   8.195   3.849   1.136
   11    HB2  ASP   2           HB2      ASP   2   5.862   4.501   1.696
   12    HB3  ASP   2           HB3      ASP   2   6.321   4.612   3.406
   13    H    ARG   3           H        ARG   3   9.691   5.458   1.947
   14    HA   ARG   3           HA       ARG   3  10.923   4.831   4.586
   15    HB2  ARG   3           HB2      ARG   3  12.319   5.623   2.006
   16    HB3  ARG   3           HB3      ARG   3  13.108   5.640   3.585
   17    HG2  ARG   3           HG2      ARG   3  11.829   3.156   2.389
   18    HG3  ARG   3           HG3      ARG   3  13.537   3.587   2.197
   19    HD2  ARG   3           HD2      ARG   3  13.800   3.549   4.675
   20    HD3  ARG   3           HD3      ARG   3  12.108   3.019   4.829
   21    HE   ARG   3           HE       ARG   3  13.402   1.259   3.044
   22   HH11  ARG   3          HH11      ARG   3  13.525   2.073   6.503
   23   HH12  ARG   3          HH12      ARG   3  14.061   0.507   7.001
   24   HH21  ARG   3          HH21      ARG   3  14.121  -0.820   3.694
   25   HH22  ARG   3          HH22      ARG   3  14.411  -1.178   5.355
   26    H    SER   4           H        SER   4   8.757   6.401   4.467
   27    HA   SER   4           HA       SER   4   7.834   8.411   4.776
   28    HB2  SER   4           HB2      SER   4  10.481   9.128   6.065
   29    HB3  SER   4           HB3      SER   4   8.889   9.834   6.401
   30    HG   SER   4           HG       SER   4   9.487   8.208   7.946
   31    H    LYS   5           H        LYS   5   8.745   8.159   2.121
   32    HA   LYS   5           HA       LYS   5  10.388  10.405   1.374
   33    HB2  LYS   5           HB2      LYS   5   9.972   8.234   0.055
   34    HB3  LYS   5           HB3      LYS   5   8.422   8.939  -0.438
   35    HG2  LYS   5           HG2      LYS   5   9.712  10.915  -1.363
   36    HG3  LYS   5           HG3      LYS   5  11.210  10.103  -0.901
   37    HD2  LYS   5           HD2      LYS   5  10.623   8.219  -2.451
   38    HD3  LYS   5           HD3      LYS   5   9.159   9.113  -2.933
   39    HE2  LYS   5           HE2      LYS   5  10.605  11.045  -3.626
   40    HE3  LYS   5           HE3      LYS   5  12.039  10.118  -3.176
   41    HZ1  LYS   5           HZ1      LYS   5  11.715   9.931  -5.515
   42    HZ2  LYS   5           HZ2      LYS   5  11.369   8.455  -4.886
   43    HZ3  LYS   5           HZ3      LYS   5  10.155   9.458  -5.380
   44    H    THR   6           H        THR   6   6.939  10.036   1.941
   45    HA   THR   6           HA       THR   6   5.183  11.434   1.962
   46    HB   THR   6           HB       THR   6   7.099  13.776   1.762
   47    HG1  THR   6           HG1      THR   6   7.713  12.510   3.524
   48   HG21  THR   6          HG21      THR   6   4.757  14.412   1.462
   49   HG22  THR   6          HG22      THR   6   4.293  13.511   2.923
   50   HG23  THR   6          HG23      THR   6   5.345  14.946   3.041
   51    H    THR   7           H        THR   7   7.432  12.575  -0.631
   52    HA   THR   7           HA       THR   7   5.232  13.416  -2.251
   53    HB   THR   7           HB       THR   7   7.023  13.433  -4.063
   54    HG1  THR   7           HG1      THR   7   9.191  13.232  -3.224
   55   HG21  THR   7          HG21      THR   7   7.927  15.473  -3.243
   56   HG22  THR   7          HG22      THR   7   6.382  15.314  -2.402
   57   HG23  THR   7          HG23      THR   7   7.878  14.918  -1.544
   58    H    ASN   8           H        ASN   8   4.439  12.531  -4.158
   59    HA   ASN   8           HA       ASN   8   4.312   9.507  -4.205
   60    HB2  ASN   8           HB2      ASN   8   2.375  11.684  -4.964
   61    HB3  ASN   8           HB3      ASN   8   2.599  10.395  -6.131
   62   HD21  ASN   8          HD22      ASN   8   1.178   8.698  -5.900
   63   HD22  ASN   8          HD21      ASN   8   0.676   8.038  -4.354
   64    H    THR   9           H        THR   9   5.530   8.531  -5.649
   65    HA   THR   9           HA       THR   9   6.497  10.137  -7.936
   66    HB   THR   9           HB       THR   9   7.830   7.788  -6.586
   67    HG1  THR   9           HG1      THR   9   7.882   9.824  -5.479
   68   HG21  THR   9          HG21      THR   9   8.293   7.824  -9.029
   69   HG22  THR   9          HG22      THR   9   8.866   9.463  -8.903
   70   HG23  THR   9          HG23      THR   9   9.734   8.167  -8.050
   71    H    TRP  10           H        TRP  10   6.309   9.122  -9.965
   72    HA   TRP  10           HA       TRP  10   5.025   6.470 -10.174
   73    HB2  TRP  10           HB2      TRP  10   4.082   8.956 -11.666
   74    HB3  TRP  10           HB3      TRP  10   3.561   7.315 -11.990
   75    HD1  TRP  10           HD1      TRP  10   1.801   6.245 -10.395
   76    HE1  TRP  10           HE1      TRP  10   0.176   7.148  -8.661
   77    HE3  TRP  10           HE3      TRP  10   3.775  10.899  -9.913
   78    HZ2  TRP  10           HZ2      TRP  10  -0.428   9.772  -7.499
   79    HZ3  TRP  10           HZ3      TRP  10   2.555  12.646  -8.676
   80    HH2  TRP  10           HH2      TRP  10   0.442  12.104  -7.460
   81    H    VAL  11           H        VAL  11   5.550   5.567 -12.330
   82    HA   VAL  11           HA       VAL  11   7.552   7.080 -13.822
   83    HB   VAL  11           HB       VAL  11   8.744   5.401 -12.540
   84   HG11  VAL  11          HG11      VAL  11   8.548   3.016 -12.979
   85   HG12  VAL  11          HG12      VAL  11   7.008   3.639 -12.369
   86   HG13  VAL  11          HG13      VAL  11   7.195   3.288 -14.097
   87   HG21  VAL  11          HG21      VAL  11   8.745   4.795 -15.538
   88   HG22  VAL  11          HG22      VAL  11   9.595   6.142 -14.753
   89   HG23  VAL  11          HG23      VAL  11  10.057   4.472 -14.390
   90    H    LEU  12           H        LEU  12   7.283   7.056 -16.033
   91    HA   LEU  12           HA       LEU  12   4.890   5.611 -17.111
   92    HB2  LEU  12           HB2      LEU  12   5.939   8.395 -17.801
   93    HB3  LEU  12           HB3      LEU  12   4.598   7.566 -18.596
   94    HG   LEU  12           HG       LEU  12   4.610   8.475 -15.697
   95   HD11  LEU  12          HD11      LEU  12   4.615  10.344 -17.323
   96   HD12  LEU  12          HD12      LEU  12   3.232   9.619 -18.175
   97   HD13  LEU  12          HD13      LEU  12   3.052  10.219 -16.513
   98   HD21  LEU  12          HD21      LEU  12   2.409   7.293 -17.460
   99   HD22  LEU  12          HD22      LEU  12   3.195   6.472 -16.104
  100   HD23  LEU  12          HD23      LEU  12   2.223   7.918 -15.796
  101    H    HIS  13           H        HIS  13   5.486   4.241 -18.677
  102    HA   HIS  13           HA       HIS  13   8.005   4.736 -20.115
  103    HB2  HIS  13           HB2      HIS  13   7.772   2.441 -19.355
  104    HB3  HIS  13           HB3      HIS  13   6.164   2.322 -20.081
  105    HD1  HIS  13           HD1      HIS  13   6.202   1.185 -22.429
  106    HD2  HIS  13           HD2      HIS  13   9.774   3.170 -21.406
  107    HE1  HIS  13           HE1      HIS  13   7.806   0.831 -24.377
  108    H    MET  14           H        MET  14   7.824   5.906 -21.996
  109    HA   MET  14           HA       MET  14   5.428   5.732 -23.641
  110    HB2  MET  14           HB2      MET  14   6.409   8.402 -22.532
  111    HB3  MET  14           HB3      MET  14   5.155   8.182 -23.750
  112    HG2  MET  14           HG2      MET  14   3.816   6.889 -22.056
  113    HG3  MET  14           HG3      MET  14   5.034   7.286 -20.848
  114    HE1  MET  14           HE1      MET  14   4.573  11.220 -20.553
  115    HE2  MET  14           HE2      MET  14   5.625   9.843 -20.153
  116    HE3  MET  14           HE3      MET  14   5.589  10.491 -21.813
  117    H    ASP  15           H        ASP  15   6.001   5.903 -25.774
  118    HA   ASP  15           HA       ASP  15   7.330   5.871 -27.581
  119    HB2  ASP  15           HB2      ASP  15   6.670   8.235 -27.310
  120    HB3  ASP  15           HB3      ASP  15   8.207   8.560 -26.508
  121    H    GLY  16           H        GLY  16   8.509   4.339 -25.558
  122    HA2  GLY  16           HA2      GLY  16  10.404   3.053 -25.461
  123    HA3  GLY  16           HA3      GLY  16  11.162   4.080 -26.676
  124    H    GLU  17           H        GLU  17  10.041   5.973 -24.014
  125    HA   GLU  17           HA       GLU  17  12.627   5.828 -22.625
  126    HB2  GLU  17           HB2      GLU  17  10.982   8.262 -23.401
  127    HB3  GLU  17           HB3      GLU  17  12.081   8.289 -22.018
  128    HG2  GLU  17           HG2      GLU  17  13.953   7.555 -23.473
  129    HG3  GLU  17           HG3      GLU  17  12.888   7.607 -24.878
  130    H    ASN  18           H        ASN  18  12.514   6.352 -20.340
  131    HA   ASN  18           HA       ASN  18   9.867   5.847 -19.121
  132    HB2  ASN  18           HB2      ASN  18  12.590   4.894 -18.256
  133    HB3  ASN  18           HB3      ASN  18  11.367   5.272 -17.053
  134   HD21  ASN  18          HD22      ASN  18  12.213   2.975 -19.616
  135   HD22  ASN  18          HD21      ASN  18  10.907   1.864 -19.266
  136    H    PHE  19           H        PHE  19   9.057   7.553 -18.173
  137    HA   PHE  19           HA       PHE  19  10.814   9.863 -17.393
  138    HB2  PHE  19           HB2      PHE  19   7.827   9.769 -18.028
  139    HB3  PHE  19           HB3      PHE  19   8.742  11.195 -17.575
  140    HD1  PHE  19           HD2      PHE  19   8.196   8.653 -20.242
  141    HD2  PHE  19           HD1      PHE  19  10.077  12.396 -19.200
  142    HE1  PHE  19           HE2      PHE  19   8.788   9.025 -22.620
  143    HE2  PHE  19           HE1      PHE  19  10.685  12.749 -21.587
  144    HZ   PHE  19           HZ       PHE  19  10.059  11.041 -23.295
  145    H    ARG  20           H        ARG  20  11.059  10.098 -15.167
  146    HA   ARG  20           HA       ARG  20   9.103   8.832 -13.364
  147    HB2  ARG  20           HB2      ARG  20  11.749  10.214 -12.868
  148    HB3  ARG  20           HB3      ARG  20  10.563   9.902 -11.589
  149    HG2  ARG  20           HG2      ARG  20  10.558   7.459 -12.832
  150    HG3  ARG  20           HG3      ARG  20  12.234   7.947 -13.131
  151    HD2  ARG  20           HD2      ARG  20  10.759   7.896 -10.481
  152    HD3  ARG  20           HD3      ARG  20  11.847   6.617 -11.009
  153    HE   ARG  20           HE       ARG  20  12.554   9.255  -9.931
  154   HH11  ARG  20          HH11      ARG  20  13.829   6.440 -11.706
  155   HH12  ARG  20          HH12      ARG  20  15.479   6.792 -11.338
  156   HH21  ARG  20          HH21      ARG  20  14.756   9.714  -9.453
  157   HH22  ARG  20          HH22      ARG  20  16.011   8.692 -10.045
  158    H    ILE  21           H        ILE  21   7.712   9.922 -12.136
  159    HA   ILE  21           HA       ILE  21   7.356  12.814 -12.599
  160    HB   ILE  21           HB       ILE  21   5.209  10.747 -12.047
  161   HG12  ILE  21          HG12      ILE  21   6.023  10.595 -14.317
  162   HG13  ILE  21          HG13      ILE  21   4.355  11.153 -14.255
  163   HG21  ILE  21          HG21      ILE  21   3.573  12.553 -12.312
  164   HG22  ILE  21          HG22      ILE  21   4.620  12.874 -10.927
  165   HG23  ILE  21          HG23      ILE  21   4.895  13.738 -12.463
  166   HD11  ILE  21          HD11      ILE  21   6.803  12.883 -14.774
  167   HD12  ILE  21          HD12      ILE  21   5.680  12.281 -15.986
  168   HD13  ILE  21          HD13      ILE  21   5.114  13.456 -14.774
  169    H    VAL  22           H        VAL  22   7.452  13.926 -10.536
  170    HA   VAL  22           HA       VAL  22   6.782  12.356  -8.155
  171    HB   VAL  22           HB       VAL  22   9.095  14.320  -8.300
  172   HG11  VAL  22          HG11      VAL  22   7.963  14.258  -6.080
  173   HG12  VAL  22          HG12      VAL  22   8.135  12.481  -6.053
  174   HG13  VAL  22          HG13      VAL  22   9.571  13.529  -5.990
  175   HG21  VAL  22          HG21      VAL  22   9.702  12.196  -9.419
  176   HG22  VAL  22          HG22      VAL  22  10.583  12.414  -7.904
  177   HG23  VAL  22          HG23      VAL  22   9.200  11.309  -7.948
  178    H    LEU  23           H        LEU  23   5.049  13.272  -7.267
  179    HA   LEU  23           HA       LEU  23   4.364  16.135  -7.800
  180    HB2  LEU  23           HB2      LEU  23   2.503  14.699  -7.930
  181    HB3  LEU  23           HB3      LEU  23   3.003  13.748  -6.534
  182    HG   LEU  23           HG       LEU  23   2.518  15.755  -5.045
  183   HD11  LEU  23          HD11      LEU  23   0.950  17.433  -5.846
  184   HD12  LEU  23          HD12      LEU  23   2.476  17.556  -6.728
  185   HD13  LEU  23          HD13      LEU  23   1.057  16.807  -7.500
  186   HD21  LEU  23          HD21      LEU  23   1.044  13.839  -5.135
  187   HD22  LEU  23          HD22      LEU  23   0.135  15.342  -4.947
  188   HD23  LEU  23          HD23      LEU  23   0.204  14.538  -6.534
  189    H    GLU  24           H        GLU  24   5.154  17.668  -6.375
  190    HA   GLU  24           HA       GLU  24   6.064  16.884  -3.704
  191    HB2  GLU  24           HB2      GLU  24   6.725  18.979  -5.573
  192    HB3  GLU  24           HB3      GLU  24   6.097  19.730  -4.097
  193    HG2  GLU  24           HG2      GLU  24   8.234  17.596  -4.207
  194    HG3  GLU  24           HG3      GLU  24   8.559  19.325  -4.155
  195    H    LYS  25           H        LYS  25   4.559  16.774  -2.078
  196    HA   LYS  25           HA       LYS  25   1.809  17.411  -2.764
  197    HB2  LYS  25           HB2      LYS  25   3.130  16.313  -0.248
  198    HB3  LYS  25           HB3      LYS  25   1.390  16.599  -0.392
  199    HG2  LYS  25           HG2      LYS  25   1.249  15.109  -2.340
  200    HG3  LYS  25           HG3      LYS  25   2.993  14.794  -2.255
  201    HD2  LYS  25           HD2      LYS  25   2.734  13.762  -0.035
  202    HD3  LYS  25           HD3      LYS  25   0.999  14.147  -0.036
  203    HE2  LYS  25           HE2      LYS  25   0.547  12.678  -1.895
  204    HE3  LYS  25           HE3      LYS  25   2.266  12.501  -2.265
  205    HZ1  LYS  25           HZ1      LYS  25   2.564  11.283  -0.207
  206    HZ2  LYS  25           HZ2      LYS  25   0.951  11.382   0.149
  207    HZ3  LYS  25           HZ3      LYS  25   1.471  10.544  -1.177
  208    H    ASP  26           H        ASP  26   4.340  19.083  -0.943
  209    HA   ASP  26           HA       ASP  26   2.620  20.655   0.673
  210    HB2  ASP  26           HB2      ASP  26   4.982  20.376   1.192
  211    HB3  ASP  26           HB3      ASP  26   5.443  21.198  -0.304
  212    H    ALA  27           H        ALA  27   4.135  21.338  -2.497
  213    HA   ALA  27           HA       ALA  27   2.597  23.824  -2.739
  214    HB1  ALA  27           HB1      ALA  27   5.043  23.937  -3.010
  215    HB2  ALA  27           HB2      ALA  27   4.953  22.769  -4.352
  216    HB3  ALA  27           HB3      ALA  27   4.207  24.379  -4.508
  217    H    MET  28           H        MET  28   2.393  20.578  -3.827
  218    HA   MET  28           HA       MET  28   1.480  19.487  -5.473
  219    HB2  MET  28           HB2      MET  28  -0.495  21.767  -5.737
  220    HB3  MET  28           HB3      MET  28  -0.631  20.161  -6.467
  221    HG2  MET  28           HG2      MET  28  -0.384  19.210  -4.085
  222    HG3  MET  28           HG3      MET  28  -0.653  20.860  -3.520
  223    HE1  MET  28           HE1      MET  28  -3.758  18.037  -5.495
  224    HE2  MET  28           HE2      MET  28  -2.283  18.502  -6.363
  225    HE3  MET  28           HE3      MET  28  -2.170  17.565  -4.857
  226    H    ASP  29           H        ASP  29   3.796  20.945  -6.014
  227    HA   ASP  29           HA       ASP  29   3.611  21.682  -8.870
  228    HB2  ASP  29           HB2      ASP  29   5.182  22.872  -7.168
  229    HB3  ASP  29           HB3      ASP  29   6.184  21.414  -7.289
  230    H    VAL  30           H        VAL  30   4.832  20.284 -10.408
  231    HA   VAL  30           HA       VAL  30   5.205  17.513  -9.417
  232    HB   VAL  30           HB       VAL  30   3.578  18.226 -11.864
  233   HG11  VAL  30          HG11      VAL  30   3.177  15.786 -12.001
  234   HG12  VAL  30          HG12      VAL  30   4.893  16.170 -12.182
  235   HG13  VAL  30          HG13      VAL  30   4.294  15.532 -10.636
  236   HG21  VAL  30          HG21      VAL  30   2.270  18.600  -9.797
  237   HG22  VAL  30          HG22      VAL  30   1.679  17.250 -10.757
  238   HG23  VAL  30          HG23      VAL  30   2.644  16.939  -9.289
  239    H    TRP  31           H        TRP  31   7.176  17.004  -9.772
  240    HA   TRP  31           HA       TRP  31   8.836  18.264 -11.805
  241    HB2  TRP  31           HB2      TRP  31   9.586  15.948  -9.994
  242    HB3  TRP  31           HB3      TRP  31  10.616  17.184 -10.663
  243    HD1  TRP  31           HD1      TRP  31   8.594  16.314  -7.608
  244    HE1  TRP  31           HE1      TRP  31   8.942  18.029  -5.789
  245    HE3  TRP  31           HE3      TRP  31  10.824  19.935 -10.374
  246    HZ2  TRP  31           HZ2      TRP  31  10.117  20.658  -5.501
  247    HZ3  TRP  31           HZ3      TRP  31  11.647  22.034  -9.275
  248    HH2  TRP  31           HH2      TRP  31  11.287  22.400  -6.853
  249    H    CYS  32           H        CYS  32   8.810  17.349 -13.890
  250    HA   CYS  32           HA       CYS  32   8.430  14.385 -14.128
  251    HB2  CYS  32           HB2      CYS  32   6.677  15.584 -15.337
  252    HB3  CYS  32           HB3      CYS  32   7.905  16.611 -16.139
  253    HG   CYS  32           HG       CYS  32   7.023  14.940 -17.909
  254    H    ASN  33           H        ASN  33  10.280  13.341 -14.713
  255    HA   ASN  33           HA       ASN  33  12.496  13.021 -15.126
  256    HB2  ASN  33           HB2      ASN  33  11.522  13.488 -17.416
  257    HB3  ASN  33           HB3      ASN  33  12.120  15.135 -17.285
  258   HD21  ASN  33          HD22      ASN  33  13.201  11.670 -17.282
  259   HD22  ASN  33          HD21      ASN  33  14.788  12.018 -17.910
  260    H    GLY  34           H        GLY  34  11.980  14.778 -12.978
  261    HA2  GLY  34           HA2      GLY  34  13.177  16.027 -11.491
  262    HA3  GLY  34           HA3      GLY  34  14.560  15.963 -12.584
  263    H    LYS  35           H        LYS  35  11.741  17.331 -14.104
  264    HA   LYS  35           HA       LYS  35  12.762  20.117 -13.674
  265    HB2  LYS  35           HB2      LYS  35  11.699  18.769 -16.199
  266    HB3  LYS  35           HB3      LYS  35  12.172  20.464 -16.075
  267    HG2  LYS  35           HG2      LYS  35  14.487  19.921 -15.796
  268    HG3  LYS  35           HG3      LYS  35  14.144  18.217 -15.495
  269    HD2  LYS  35           HD2      LYS  35  13.270  17.991 -17.844
  270    HD3  LYS  35           HD3      LYS  35  13.737  19.669 -18.130
  271    HE2  LYS  35           HE2      LYS  35  15.486  18.289 -19.019
  272    HE3  LYS  35           HE3      LYS  35  16.113  19.072 -17.571
  273    HZ1  LYS  35           HZ1      LYS  35  15.168  16.245 -17.738
  274    HZ2  LYS  35           HZ2      LYS  35  16.719  16.742 -17.622
  275    HZ3  LYS  35           HZ3      LYS  35  15.695  16.959 -16.366
  276    H    LYS  36           H        LYS  36  11.067  21.748 -13.438
  277    HA   LYS  36           HA       LYS  36   8.510  20.707 -12.585
  278    HB2  LYS  36           HB2      LYS  36   9.312  23.555 -13.295
  279    HB3  LYS  36           HB3      LYS  36   7.853  23.085 -12.407
  280    HG2  LYS  36           HG2      LYS  36   8.983  22.679 -10.433
  281    HG3  LYS  36           HG3      LYS  36  10.454  22.167 -11.245
  282    HD2  LYS  36           HD2      LYS  36  10.905  24.244 -10.122
  283    HD3  LYS  36           HD3      LYS  36  11.036  24.400 -11.875
  284    HE2  LYS  36           HE2      LYS  36   9.956  26.382 -11.135
  285    HE3  LYS  36           HE3      LYS  36   8.687  25.410 -11.880
  286    HZ1  LYS  36           HZ1      LYS  36   7.990  24.737  -9.616
  287    HZ2  LYS  36           HZ2      LYS  36   9.191  25.649  -8.959
  288    HZ3  LYS  36           HZ3      LYS  36   7.976  26.368  -9.775
  289    H    LEU  37           H        LEU  37   6.513  20.790 -13.707
  290    HA   LEU  37           HA       LEU  37   6.539  21.845 -16.448
  291    HB2  LEU  37           HB2      LEU  37   4.975  20.133 -17.197
  292    HB3  LEU  37           HB3      LEU  37   6.612  19.597 -16.848
  293    HG   LEU  37           HG       LEU  37   5.932  18.613 -14.783
  294   HD11  LEU  37          HD11      LEU  37   3.112  19.472 -15.496
  295   HD12  LEU  37          HD12      LEU  37   3.462  18.181 -14.328
  296   HD13  LEU  37          HD13      LEU  37   4.008  19.825 -14.002
  297   HD21  LEU  37          HD21      LEU  37   5.883  17.335 -16.918
  298   HD22  LEU  37          HD22      LEU  37   4.678  16.712 -15.767
  299   HD23  LEU  37          HD23      LEU  37   4.172  17.750 -17.123
  300    H    GLU  38           H        GLU  38   4.224  22.242 -17.195
  301    HA   GLU  38           HA       GLU  38   3.125  24.129 -15.323
  302    HB2  GLU  38           HB2      GLU  38   1.632  24.753 -17.139
  303    HB3  GLU  38           HB3      GLU  38   3.313  24.697 -17.683
  304    HG2  GLU  38           HG2      GLU  38   2.839  22.374 -18.639
  305    HG3  GLU  38           HG3      GLU  38   1.149  22.615 -18.226
  306    H    THR  39           H        THR  39   1.050  24.078 -14.390
  307    HA   THR  39           HA       THR  39  -0.533  21.571 -14.544
  308    HB   THR  39           HB       THR  39  -0.695  21.798 -11.970
  309    HG1  THR  39           HG1      THR  39   0.634  23.620 -11.667
  310   HG21  THR  39          HG21      THR  39   1.796  20.616 -13.256
  311   HG22  THR  39          HG22      THR  39   1.107  20.166 -11.679
  312   HG23  THR  39          HG23      THR  39   0.203  19.840 -13.169
  313    H    ALA  40           H        ALA  40  -2.674  21.796 -13.996
  314    HA   ALA  40           HA       ALA  40  -3.706  24.444 -13.140
  315    HB1  ALA  40           HB1      ALA  40  -5.684  24.105 -14.596
  316    HB2  ALA  40           HB2      ALA  40  -4.203  24.305 -15.568
  317    HB3  ALA  40           HB3      ALA  40  -4.915  22.689 -15.333
  318    H    GLY  41           H        GLY  41  -5.383  24.125 -11.549
  319    HA2  GLY  41           HA2      GLY  41  -5.719  21.289 -10.630
  320    HA3  GLY  41           HA3      GLY  41  -5.475  22.664  -9.546
  321    H    GLU  42           H        GLU  42  -7.784  20.793 -11.179
  322    HA   GLU  42           HA       GLU  42  -9.850  22.877 -10.798
  323    HB2  GLU  42           HB2      GLU  42  -9.584  20.691 -12.867
  324    HB3  GLU  42           HB3      GLU  42 -11.196  21.193 -12.328
  325    HG2  GLU  42           HG2      GLU  42 -10.662  23.542 -12.793
  326    HG3  GLU  42           HG3      GLU  42  -9.060  23.074 -13.393
  327    H    PHE  43           H        PHE  43 -11.763  22.298  -9.772
  328    HA   PHE  43           HA       PHE  43 -11.476  19.999  -7.891
  329    HB2  PHE  43           HB2      PHE  43 -13.192  22.490  -7.693
  330    HB3  PHE  43           HB3      PHE  43 -13.205  21.148  -6.557
  331    HD1  PHE  43           HD2      PHE  43 -11.102  20.554  -5.253
  332    HD2  PHE  43           HD1      PHE  43 -11.490  24.211  -7.516
  333    HE1  PHE  43           HE2      PHE  43  -9.220  21.550  -3.981
  334    HE2  PHE  43           HE1      PHE  43  -9.593  25.192  -6.246
  335    HZ   PHE  43           HZ       PHE  43  -8.457  23.864  -4.477
  336    H    VAL  44           H        VAL  44 -13.037  18.426  -7.771
  337    HA   VAL  44           HA       VAL  44 -15.338  18.534  -9.616
  338    HB   VAL  44           HB       VAL  44 -14.776  15.973  -9.782
  339   HG11  VAL  44          HG11      VAL  44 -13.284  18.054 -11.405
  340   HG12  VAL  44          HG12      VAL  44 -13.600  16.369 -11.891
  341   HG13  VAL  44          HG13      VAL  44 -14.959  17.484 -11.644
  342   HG21  VAL  44          HG21      VAL  44 -12.844  15.966  -8.263
  343   HG22  VAL  44          HG22      VAL  44 -12.455  15.354  -9.877
  344   HG23  VAL  44          HG23      VAL  44 -11.935  16.981  -9.414
  345    H    ASP  45           H        ASP  45 -16.917  16.823  -9.069
  346    HA   ASP  45           HA       ASP  45 -17.497  16.812  -6.223
  347    HB2  ASP  45           HB2      ASP  45 -19.269  17.224  -7.851
  348    HB3  ASP  45           HB3      ASP  45 -19.020  15.628  -8.559
  349    H    ASP  46           H        ASP  46 -15.234  15.676  -6.382
  350    HA   ASP  46           HA       ASP  46 -15.395  12.809  -5.796
  351    HB2  ASP  46           HB2      ASP  46 -15.278  12.709  -8.211
  352    HB3  ASP  46           HB3      ASP  46 -14.042  13.960  -8.269
  353    H    GLY  47           H        GLY  47 -13.476  15.834  -6.273
  354    HA2  GLY  47           HA2      GLY  47 -11.963  15.991  -4.042
  355    HA3  GLY  47           HA3      GLY  47 -11.125  14.753  -5.002
  356    H    THR  48           H        THR  48  -9.434  15.739  -6.058
  357    HA   THR  48           HA       THR  48 -10.005  18.208  -7.594
  358    HB   THR  48           HB       THR  48  -7.363  17.798  -6.228
  359    HG1  THR  48           HG1      THR  48  -8.058  18.854  -4.407
  360   HG21  THR  48          HG21      THR  48  -7.460  19.561  -7.924
  361   HG22  THR  48          HG22      THR  48  -8.839  20.314  -7.090
  362   HG23  THR  48          HG23      THR  48  -7.237  20.267  -6.322
  363    H    GLU  49           H        GLU  49  -8.708  18.376  -9.500
  364    HA   GLU  49           HA       GLU  49  -7.109  16.020 -10.203
  365    HB2  GLU  49           HB2      GLU  49  -9.278  17.283 -11.901
  366    HB3  GLU  49           HB3      GLU  49  -7.982  16.255 -12.565
  367    HG2  GLU  49           HG2      GLU  49  -8.622  14.418 -11.084
  368    HG3  GLU  49           HG3      GLU  49  -9.906  15.391 -10.369
  369    H    THR  50           H        THR  50  -5.091  16.671 -10.544
  370    HA   THR  50           HA       THR  50  -4.549  19.489 -11.342
  371    HB   THR  50           HB       THR  50  -2.812  17.334 -10.118
  372    HG1  THR  50           HG1      THR  50  -4.203  18.512  -8.708
  373   HG21  THR  50          HG21      THR  50  -1.044  19.140 -10.013
  374   HG22  THR  50          HG22      THR  50  -1.327  18.459 -11.614
  375   HG23  THR  50          HG23      THR  50  -2.004  20.052 -11.216
  376    H    HIS  51           H        HIS  51  -4.578  19.661 -13.551
  377    HA   HIS  51           HA       HIS  51  -4.061  17.278 -15.222
  378    HB2  HIS  51           HB2      HIS  51  -5.085  20.053 -15.937
  379    HB3  HIS  51           HB3      HIS  51  -4.995  18.675 -17.028
  380    HD1  HIS  51           HD1      HIS  51  -6.899  16.766 -16.717
  381    HD2  HIS  51           HD2      HIS  51  -7.141  20.134 -14.188
  382    HE1  HIS  51           HE1      HIS  51  -9.191  16.675 -15.606
  383    H    PHE  52           H        PHE  52  -2.415  17.192 -16.782
  384    HA   PHE  52           HA       PHE  52  -0.921  19.529 -17.566
  385    HB2  PHE  52           HB2      PHE  52   1.317  18.639 -16.971
  386    HB3  PHE  52           HB3      PHE  52   0.362  19.147 -15.609
  387    HD1  PHE  52           HD1      PHE  52  -0.566  17.590 -13.983
  388    HD2  PHE  52           HD2      PHE  52   2.051  16.271 -17.159
  389    HE1  PHE  52           HE1      PHE  52  -0.019  15.579 -12.684
  390    HE2  PHE  52           HE2      PHE  52   2.589  14.226 -15.815
  391    HZ   PHE  52           HZ       PHE  52   1.590  13.897 -13.589
  392    H    SER  53           H        SER  53   1.076  18.429 -19.023
  393    HA   SER  53           HA       SER  53   0.201  16.024 -20.371
  394    HB2  SER  53           HB2      SER  53   0.560  18.588 -21.979
  395    HB3  SER  53           HB3      SER  53   0.237  16.964 -22.625
  396    HG   SER  53           HG       SER  53  -1.649  18.351 -22.485
  397    H    ILE  54           H        ILE  54   1.918  15.115 -21.597
  398    HA   ILE  54           HA       ILE  54   4.617  16.350 -21.374
  399    HB   ILE  54           HB       ILE  54   3.777  13.521 -20.571
  400   HG12  ILE  54          HG12      ILE  54   5.332  15.527 -18.883
  401   HG13  ILE  54          HG13      ILE  54   3.577  15.521 -18.880
  402   HG21  ILE  54          HG21      ILE  54   6.221  13.121 -20.136
  403   HG22  ILE  54          HG22      ILE  54   5.889  13.408 -21.839
  404   HG23  ILE  54          HG23      ILE  54   6.588  14.704 -20.845
  405   HD11  ILE  54          HD11      ILE  54   5.215  13.099 -18.118
  406   HD12  ILE  54          HD12      ILE  54   4.441  14.270 -17.021
  407   HD13  ILE  54          HD13      ILE  54   3.438  13.265 -18.082
  408    H    GLY  55           H        GLY  55   4.990  16.717 -23.512
  409    HA2  GLY  55           HA2      GLY  55   4.965  16.464 -25.808
  410    HA3  GLY  55           HA3      GLY  55   4.913  14.710 -25.546
  411    H    ASN  56           H        ASN  56   3.219  13.965 -26.735
  412    HA   ASN  56           HA       ASN  56   0.764  15.473 -27.131
  413    HB2  ASN  56           HB2      ASN  56   1.768  14.024 -28.878
  414    HB3  ASN  56           HB3      ASN  56   1.551  12.613 -27.838
  415   HD21  ASN  56          HD22      ASN  56  -0.348  15.281 -29.419
  416   HD22  ASN  56          HD21      ASN  56  -1.776  14.309 -29.674
  417    H    HIS  57           H        HIS  57   1.840  13.437 -24.544
  418    HA   HIS  57           HA       HIS  57  -0.723  12.048 -24.185
  419    HB2  HIS  57           HB2      HIS  57   1.753  11.970 -22.419
  420    HB3  HIS  57           HB3      HIS  57   0.412  10.835 -22.440
  421    HD1  HIS  57           HD1      HIS  57   0.276   9.301 -24.855
  422    HD2  HIS  57           HD2      HIS  57   3.784  11.465 -23.979
  423    HE1  HIS  57           HE1      HIS  57   2.106   8.344 -26.340
  424    H    ASP  58           H        ASP  58  -2.357  13.007 -22.997
  425    HA   ASP  58           HA       ASP  58  -1.665  15.168 -21.110
  426    HB2  ASP  58           HB2      ASP  58  -3.791  15.832 -21.009
  427    HB3  ASP  58           HB3      ASP  58  -3.704  15.288 -22.681
  428    H    CYS  59           H        CYS  59  -2.167  15.072 -18.924
  429    HA   CYS  59           HA       CYS  59  -2.458  12.397 -17.689
  430    HB2  CYS  59           HB2      CYS  59  -0.398  14.397 -16.756
  431    HB3  CYS  59           HB3      CYS  59  -0.516  12.677 -16.377
  432    HG   CYS  59           HG       CYS  59   0.206  14.161 -19.222
  433    H    TYR  60           H        TYR  60  -3.277  12.569 -15.458
  434    HA   TYR  60           HA       TYR  60  -3.330  15.226 -14.361
  435    HB2  TYR  60           HB2      TYR  60  -5.654  15.380 -13.852
  436    HB3  TYR  60           HB3      TYR  60  -5.441  15.182 -15.578
  437    HD1  TYR  60           HD1      TYR  60  -6.243  13.148 -12.500
  438    HD2  TYR  60           HD2      TYR  60  -6.786  13.668 -16.739
  439    HE1  TYR  60           HE1      TYR  60  -7.956  11.363 -12.497
  440    HE2  TYR  60           HE2      TYR  60  -8.656  12.038 -16.704
  441    HH   TYR  60           HH       TYR  60  -9.903  10.526 -15.388
  442    H    ILE  61           H        ILE  61  -3.237  15.223 -12.110
  443    HA   ILE  61           HA       ILE  61  -2.999  12.524 -10.876
  444    HB   ILE  61           HB       ILE  61  -2.291  15.267  -9.832
  445   HG12  ILE  61          HG12      ILE  61  -0.468  12.846 -10.121
  446   HG13  ILE  61          HG13      ILE  61  -0.777  13.890 -11.499
  447   HG21  ILE  61          HG21      ILE  61  -2.148  12.580  -8.369
  448   HG22  ILE  61          HG22      ILE  61  -1.512  14.133  -7.777
  449   HG23  ILE  61          HG23      ILE  61  -3.236  13.929  -7.970
  450   HD11  ILE  61          HD11      ILE  61  -0.005  15.867 -10.183
  451   HD12  ILE  61          HD12      ILE  61   0.440  14.771  -8.856
  452   HD13  ILE  61          HD13      ILE  61   1.257  14.639 -10.423
  453    H    LYS  62           H        LYS  62  -4.813  11.711 -10.053
  454    HA   LYS  62           HA       LYS  62  -7.180  13.407  -9.472
  455    HB2  LYS  62           HB2      LYS  62  -6.963  10.870 -10.561
  456    HB3  LYS  62           HB3      LYS  62  -7.100  10.453  -8.858
  457    HG2  LYS  62           HG2      LYS  62  -9.236  11.740  -8.747
  458    HG3  LYS  62           HG3      LYS  62  -9.048  12.190 -10.449
  459    HD2  LYS  62           HD2      LYS  62  -9.088   9.751 -11.085
  460    HD3  LYS  62           HD3      LYS  62  -9.303   9.353  -9.378
  461    HE2  LYS  62           HE2      LYS  62 -11.470   9.239 -10.271
  462    HE3  LYS  62           HE3      LYS  62 -11.424  10.763  -9.390
  463    HZ1  LYS  62           HZ1      LYS  62 -12.470  10.969 -11.588
  464    HZ2  LYS  62           HZ2      LYS  62 -11.148  11.919 -11.549
  465    HZ3  LYS  62           HZ3      LYS  62 -11.114  10.477 -12.349
  466    H    ALA  63           H        ALA  63  -7.453  14.106  -7.409
  467    HA   ALA  63           HA       ALA  63  -5.920  12.804  -5.230
  468    HB1  ALA  63           HB1      ALA  63  -4.949  15.001  -5.781
  469    HB2  ALA  63           HB2      ALA  63  -6.557  15.757  -5.634
  470    HB3  ALA  63           HB3      ALA  63  -5.772  15.043  -4.211
  471    H    VAL  64           H        VAL  64  -7.636  11.492  -4.674
  472    HA   VAL  64           HA       VAL  64 -10.353  12.512  -4.775
  473    HB   VAL  64           HB       VAL  64  -9.609   9.732  -3.787
  474   HG11  VAL  64          HG11      VAL  64 -11.712   9.110  -4.836
  475   HG12  VAL  64          HG12      VAL  64 -11.964  10.490  -3.753
  476   HG13  VAL  64          HG13      VAL  64 -11.895  10.747  -5.506
  477   HG21  VAL  64          HG21      VAL  64  -8.245   9.905  -5.791
  478   HG22  VAL  64          HG22      VAL  64  -9.642   8.894  -6.127
  479   HG23  VAL  64          HG23      VAL  64  -9.624  10.569  -6.719
  480    H    SER  65           H        SER  65 -11.338  13.408  -2.912
  481    HA   SER  65           HA       SER  65 -10.115  13.042  -0.296
  482    HB2  SER  65           HB2      SER  65 -12.809  14.266  -0.964
  483    HB3  SER  65           HB3      SER  65 -11.822  14.503   0.495
  484    HG   SER  65           HG       SER  65 -11.579  16.258  -0.960
  485    H    SER  66           H        SER  66 -10.332  11.092   0.712
  486    HA   SER  66           HA       SER  66 -12.869   9.560   0.547
  487    HB2  SER  66           HB2      SER  66 -10.056   8.686  -0.261
  488    HB3  SER  66           HB3      SER  66 -11.407   7.560  -0.034
  489    HG   SER  66           HG       SER  66 -12.480   8.559  -1.748
  490    H    GLY  67           H        GLY  67 -12.508   7.468   1.968
  491    HA2  GLY  67           HA2      GLY  67 -11.739   6.434   3.904
  492    HA3  GLY  67           HA3      GLY  67 -10.681   7.809   4.224
  493    H    LYS  68           H        LYS  68 -11.351   7.737   6.416
  494    HA   LYS  68           HA       LYS  68 -14.128   8.177   7.224
  495    HB2  LYS  68           HB2      LYS  68 -11.442   8.041   8.666
  496    HB3  LYS  68           HB3      LYS  68 -12.876   8.611   9.499
  497    HG2  LYS  68           HG2      LYS  68 -12.591   6.318  10.010
  498    HG3  LYS  68           HG3      LYS  68 -14.066   6.527   9.063
  499    HD2  LYS  68           HD2      LYS  68 -12.967   5.593   7.067
  500    HD3  LYS  68           HD3      LYS  68 -11.407   5.585   7.897
  501    HE2  LYS  68           HE2      LYS  68 -12.231   3.343   7.883
  502    HE3  LYS  68           HE3      LYS  68 -12.286   3.933   9.543
  503    HZ1  LYS  68           HZ1      LYS  68 -14.691   4.262   9.272
  504    HZ2  LYS  68           HZ2      LYS  68 -14.622   3.756   7.711
  505    HZ3  LYS  68           HZ3      LYS  68 -14.293   2.722   8.929
  506    H    ARG  69           H        ARG  69 -14.369  10.128   8.916
  507    HA   ARG  69           HA       ARG  69 -14.535  12.446   7.308
  508    HB2  ARG  69           HB2      ARG  69 -14.650  12.199  10.352
  509    HB3  ARG  69           HB3      ARG  69 -15.199  13.596   9.439
  510    HG2  ARG  69           HG2      ARG  69 -16.413  10.804   9.289
  511    HG3  ARG  69           HG3      ARG  69 -17.063  12.197  10.158
  512    HD2  ARG  69           HD2      ARG  69 -17.288  13.426   8.007
  513    HD3  ARG  69           HD3      ARG  69 -16.716  11.978   7.141
  514    HE   ARG  69           HE       ARG  69 -18.863  11.194   8.788
  515   HH11  ARG  69          HH21      ARG  69 -18.378  13.268   5.941
  516   HH12  ARG  69          HH22      ARG  69 -19.974  13.034   5.322
  517   HH21  ARG  69          HH11      ARG  69 -20.988  10.877   7.961
  518   HH22  ARG  69          HH12      ARG  69 -21.491  11.648   6.505
  519    H    LYS  70           H        LYS  70 -11.742  11.417   9.149
  520    HA   LYS  70           HA       LYS  70 -10.446  13.953   9.338
  521    HB2  LYS  70           HB2      LYS  70  -8.434  12.720   9.671
  522    HB3  LYS  70           HB3      LYS  70  -9.733  11.865  10.470
  523    HG2  LYS  70           HG2      LYS  70  -8.837  10.041   9.496
  524    HG3  LYS  70           HG3      LYS  70  -9.742  10.530   8.061
  525    HD2  LYS  70           HD2      LYS  70  -7.760  11.695   7.180
  526    HD3  LYS  70           HD3      LYS  70  -6.836  11.307   8.630
  527    HE2  LYS  70           HE2      LYS  70  -8.020   9.219   6.738
  528    HE3  LYS  70           HE3      LYS  70  -6.385   9.867   6.596
  529    HZ1  LYS  70           HZ1      LYS  70  -6.354   7.797   7.806
  530    HZ2  LYS  70           HZ2      LYS  70  -5.890   8.990   8.808
  531    HZ3  LYS  70           HZ3      LYS  70  -7.390   8.341   8.941
  532    H    GLU  71           H        GLU  71 -11.157  11.968   6.608
  533    HA   GLU  71           HA       GLU  71 -10.767  11.872   4.516
  534    HB2  GLU  71           HB2      GLU  71 -10.201  14.849   4.679
  535    HB3  GLU  71           HB3      GLU  71 -10.401  13.931   3.182
  536    HG2  GLU  71           HG2      GLU  71 -12.669  13.222   3.907
  537    HG3  GLU  71           HG3      GLU  71 -12.507  14.174   5.378
  538    H    GLY  72           H        GLY  72  -9.282  10.550   3.920
  539    HA2  GLY  72           HA2      GLY  72  -6.382  11.311   3.961
  540    HA3  GLY  72           HA3      GLY  72  -7.037   9.670   3.791
  541    H    ILE  73           H        ILE  73  -5.964  12.416   2.035
  542    HA   ILE  73           HA       ILE  73  -7.766  12.062  -0.219
  543    HB   ILE  73           HB       ILE  73  -5.338  13.817   0.188
  544   HG12  ILE  73          HG12      ILE  73  -6.971  15.652  -0.116
  545   HG13  ILE  73          HG13      ILE  73  -8.283  14.496  -0.280
  546   HG21  ILE  73          HG21      ILE  73  -7.154  13.637  -2.264
  547   HG22  ILE  73          HG22      ILE  73  -5.871  14.840  -1.983
  548   HG23  ILE  73          HG23      ILE  73  -5.446  13.142  -2.219
  549   HD11  ILE  73          HD11      ILE  73  -8.139  13.902   2.047
  550   HD12  ILE  73          HD12      ILE  73  -6.603  14.799   2.233
  551   HD13  ILE  73          HD13      ILE  73  -8.129  15.664   1.934
  552    H    ILE  74           H        ILE  74  -7.472  10.570  -1.854
  553    HA   ILE  74           HA       ILE  74  -5.040   8.883  -1.789
  554    HB   ILE  74           HB       ILE  74  -7.672   8.592  -3.269
  555   HG12  ILE  74          HG12      ILE  74  -7.951   8.328  -0.863
  556   HG13  ILE  74          HG13      ILE  74  -8.208   6.819  -1.727
  557   HG21  ILE  74          HG21      ILE  74  -5.942   7.500  -4.564
  558   HG22  ILE  74          HG22      ILE  74  -5.292   6.692  -3.120
  559   HG23  ILE  74          HG23      ILE  74  -6.899   6.267  -3.745
  560   HD11  ILE  74          HD11      ILE  74  -5.731   7.558  -0.105
  561   HD12  ILE  74          HD12      ILE  74  -7.023   6.450   0.376
  562   HD13  ILE  74          HD13      ILE  74  -5.970   6.019  -0.977
  563    H    HIS  75           H        HIS  75  -3.373   9.569  -3.067
  564    HA   HIS  75           HA       HIS  75  -3.972  11.344  -5.380
  565    HB2  HIS  75           HB2      HIS  75  -1.385  10.711  -3.925
  566    HB3  HIS  75           HB3      HIS  75  -1.491  11.647  -5.415
  567    HD1  HIS  75           HD1      HIS  75  -2.568  11.950  -1.694
  568    HD2  HIS  75           HD2      HIS  75  -2.313  14.167  -5.268
  569    HE1  HIS  75           HE1      HIS  75  -2.984  14.379  -1.068
  570    H    THR  76           H        THR  76  -4.063  10.458  -7.360
  571    HA   THR  76           HA       THR  76  -2.478   8.016  -7.959
  572    HB   THR  76           HB       THR  76  -5.210   8.502  -9.191
  573    HG1  THR  76           HG1      THR  76  -5.689   8.315  -7.012
  574   HG21  THR  76          HG21      THR  76  -5.123   6.058  -9.492
  575   HG22  THR  76          HG22      THR  76  -3.783   6.879 -10.319
  576   HG23  THR  76          HG23      THR  76  -3.497   6.009  -8.786
  577    H    LEU  77           H        LEU  77  -1.549   8.076 -10.114
  578    HA   LEU  77           HA       LEU  77  -1.938  10.651 -11.556
  579    HB2  LEU  77           HB2      LEU  77   0.377  10.163 -11.123
  580    HB3  LEU  77           HB3      LEU  77   0.190   8.512 -11.738
  581    HG   LEU  77           HG       LEU  77  -0.305   9.453 -14.003
  582   HD11  LEU  77          HD11      LEU  77   0.346  11.841 -14.422
  583   HD12  LEU  77          HD12      LEU  77  -1.119  11.699 -13.451
  584   HD13  LEU  77          HD13      LEU  77   0.427  12.090 -12.661
  585   HD21  LEU  77          HD21      LEU  77   1.932   8.702 -13.424
  586   HD22  LEU  77          HD22      LEU  77   2.019  10.121 -14.479
  587   HD23  LEU  77          HD23      LEU  77   2.325  10.301 -12.732
  588    H    ILE  78           H        ILE  78  -3.217  10.603 -13.311
  589    HA   ILE  78           HA       ILE  78  -3.807   8.025 -14.583
  590    HB   ILE  78           HB       ILE  78  -5.442  10.492 -14.072
  591   HG12  ILE  78          HG12      ILE  78  -7.277   8.874 -13.772
  592   HG13  ILE  78          HG13      ILE  78  -6.204   7.535 -14.185
  593   HG21  ILE  78          HG21      ILE  78  -5.591  10.574 -16.402
  594   HG22  ILE  78          HG22      ILE  78  -5.728   8.788 -16.548
  595   HG23  ILE  78          HG23      ILE  78  -7.057   9.749 -15.867
  596   HD11  ILE  78          HD11      ILE  78  -6.657   7.893 -11.726
  597   HD12  ILE  78          HD12      ILE  78  -4.949   7.838 -12.163
  598   HD13  ILE  78          HD13      ILE  78  -5.732   9.418 -11.844
  599    H    VAL  79           H        VAL  79  -3.325   7.946 -16.852
  600    HA   VAL  79           HA       VAL  79  -2.461  10.388 -18.200
  601    HB   VAL  79           HB       VAL  79  -0.858   7.809 -18.219
  602   HG11  VAL  79          HG11      VAL  79   0.804   9.110 -19.542
  603   HG12  VAL  79          HG12      VAL  79  -0.735   8.959 -20.390
  604   HG13  VAL  79          HG13      VAL  79  -0.313  10.485 -19.586
  605   HG21  VAL  79          HG21      VAL  79  -0.255  10.492 -16.926
  606   HG22  VAL  79          HG22      VAL  79  -0.476   8.921 -16.125
  607   HG23  VAL  79          HG23      VAL  79   0.935   9.201 -17.155
  608    H    ASP  80           H        ASP  80  -3.306  10.444 -20.263
  609    HA   ASP  80           HA       ASP  80  -4.857   9.954 -21.830
  610    HB2  ASP  80           HB2      ASP  80  -2.851   8.807 -22.689
  611    HB3  ASP  80           HB3      ASP  80  -3.387   7.303 -21.934
  612    H    ASN  81           H        ASN  81  -5.845   9.645 -19.279
  613    HA   ASN  81           HA       ASN  81  -7.540   8.943 -18.056
  614    HB2  ASN  81           HB2      ASN  81  -8.782   9.371 -20.212
  615    HB3  ASN  81           HB3      ASN  81  -8.774   7.626 -20.464
  616   HD21  ASN  81          HD22      ASN  81 -11.064   7.323 -20.235
  617   HD22  ASN  81          HD21      ASN  81 -11.906   7.636 -18.738
  618    H    ARG  82           H        ARG  82  -5.219   6.823 -18.787
  619    HA   ARG  82           HA       ARG  82  -6.483   4.501 -17.493
  620    HB2  ARG  82           HB2      ARG  82  -3.834   4.939 -18.967
  621    HB3  ARG  82           HB3      ARG  82  -4.115   3.555 -17.919
  622    HG2  ARG  82           HG2      ARG  82  -4.644   2.793 -20.044
  623    HG3  ARG  82           HG3      ARG  82  -6.186   3.054 -19.186
  624    HD2  ARG  82           HD2      ARG  82  -6.615   5.056 -20.458
  625    HD3  ARG  82           HD3      ARG  82  -5.006   4.990 -21.218
  626    HE   ARG  82           HE       ARG  82  -6.264   2.569 -21.823
  627   HH11  ARG  82          HH11      ARG  82  -6.829   6.017 -22.456
  628   HH12  ARG  82          HH12      ARG  82  -7.751   5.755 -23.899
  629   HH21  ARG  82          HH21      ARG  82  -7.454   2.202 -23.768
  630   HH22  ARG  82          HH22      ARG  82  -8.090   3.527 -24.672
  631    H    GLU  83           H        GLU  83  -5.536   3.644 -15.603
  632    HA   GLU  83           HA       GLU  83  -4.592   5.737 -13.794
  633    HB2  GLU  83           HB2      GLU  83  -6.483   4.516 -13.065
  634    HB3  GLU  83           HB3      GLU  83  -5.721   2.948 -13.409
  635    HG2  GLU  83           HG2      GLU  83  -4.096   3.319 -11.598
  636    HG3  GLU  83           HG3      GLU  83  -4.767   4.926 -11.331
  637    H    ILE  84           H        ILE  84  -2.598   5.782 -12.817
  638    HA   ILE  84           HA       ILE  84  -0.588   3.751 -13.624
  639    HB   ILE  84           HB       ILE  84  -0.174   6.711 -13.095
  640   HG12  ILE  84          HG12      ILE  84  -1.421   6.579 -15.127
  641   HG13  ILE  84          HG13      ILE  84   0.250   6.987 -15.439
  642   HG21  ILE  84          HG21      ILE  84   1.791   5.377 -12.554
  643   HG22  ILE  84          HG22      ILE  84   1.725   4.571 -14.127
  644   HG23  ILE  84          HG23      ILE  84   2.068   6.318 -14.012
  645   HD11  ILE  84          HD11      ILE  84  -0.620   5.462 -17.136
  646   HD12  ILE  84          HD12      ILE  84   0.709   4.698 -16.244
  647   HD13  ILE  84          HD13      ILE  84  -0.980   4.253 -15.896
  648    HA   PRO  85           HA       PRO  85  -0.593   3.267  -9.101
  649    HB2  PRO  85           HB2      PRO  85   1.622   1.323  -9.692
  650    HB3  PRO  85           HB3      PRO  85   0.155   1.097  -8.691
  651    HG2  PRO  85           HG2      PRO  85   0.336   0.002 -11.176
  652    HG3  PRO  85           HG3      PRO  85  -1.200   0.751 -10.619
  653    HD2  PRO  85           HD2      PRO  85   0.937   1.987 -12.394
  654    HD3  PRO  85           HD3      PRO  85  -0.845   1.951 -12.589
  655    H    GLU  86           H        GLU  86   0.695   4.156  -7.430
  656    HA   GLU  86           HA       GLU  86   2.987   5.761  -8.150
  657    HB2  GLU  86           HB2      GLU  86   2.919   6.643  -6.049
  658    HB3  GLU  86           HB3      GLU  86   1.224   6.286  -6.382
  659    HG2  GLU  86           HG2      GLU  86   1.496   4.152  -5.042
  660    HG3  GLU  86           HG3      GLU  86   3.165   4.648  -4.706
  661    H    ILE  87           H        ILE  87   5.043   5.597  -6.928
  662    HA   ILE  87           HA       ILE  87   5.904   2.945  -6.081
  663    HB   ILE  87           HB       ILE  87   8.042   3.444  -7.219
  664   HG12  ILE  87          HG12      ILE  87   6.547   5.442  -8.925
  665   HG13  ILE  87          HG13      ILE  87   7.694   5.870  -7.663
  666   HG21  ILE  87          HG21      ILE  87   5.763   3.097  -9.203
  667   HG22  ILE  87          HG22      ILE  87   7.406   2.435  -9.329
  668   HG23  ILE  87          HG23      ILE  87   6.326   1.832  -8.069
  669   HD11  ILE  87          HD11      ILE  87   8.780   5.925  -9.897
  670   HD12  ILE  87          HD12      ILE  87   9.498   4.670  -8.877
  671   HD13  ILE  87          HD13      ILE  87   8.357   4.245 -10.175
  672    H    ALA  88           H        ALA  88   7.833   3.140  -4.752
  673    HA   ALA  88           HA       ALA  88   8.125   5.787  -3.446
  674    HB1  ALA  88           HB1      ALA  88   6.768   4.232  -2.053
  675    HB2  ALA  88           HB2      ALA  88   8.131   3.076  -2.074
  676    HB3  ALA  88           HB3      ALA  88   8.306   4.660  -1.279
  677    H    SER  89           H        SER  89   9.628   4.463  -5.554
  678    HA   SER  89           HA       SER  89  12.199   3.609  -4.633
  679    HB2  SER  89           HB2      SER  89  11.558   4.931  -7.297
  680    HB3  SER  89           HB3      SER  89  12.883   3.816  -6.922
  681    HG   SER  89           HG       SER  89  11.218   2.644  -7.943
  Start of MODEL    7
    1    H1   GLU   1           H1       GLU   1  11.075   9.550   8.144
    2    H2   GLU   1           H2       GLU   1  11.070   8.687   9.552
    3    H3   GLU   1           H3       GLU   1   9.812   9.675   9.175
    4    HA   GLU   1           HA       GLU   1  11.167  10.710  10.853
    5    HB2  GLU   1           HB2      GLU   1  13.263   9.536  10.161
    6    HB3  GLU   1           HB3      GLU   1  13.355  10.550   8.720
    7    HG2  GLU   1           HG2      GLU   1  14.912  11.254  10.483
    8    HG3  GLU   1           HG3      GLU   1  13.782  12.526  10.067
    9    H    ASP   2           H        ASP   2  11.589  13.124  10.780
   10    HA   ASP   2           HA       ASP   2   9.729  14.511   9.176
   11    HB2  ASP   2           HB2      ASP   2  10.578  15.401  11.256
   12    HB3  ASP   2           HB3      ASP   2  12.229  15.447  10.621
   13    H    ARG   3           H        ARG   3  13.178  13.830   8.561
   14    HA   ARG   3           HA       ARG   3  13.279  15.605   6.255
   15    HB2  ARG   3           HB2      ARG   3  15.286  13.657   7.399
   16    HB3  ARG   3           HB3      ARG   3  15.602  14.673   6.000
   17    HG2  ARG   3           HG2      ARG   3  14.831  15.736   8.739
   18    HG3  ARG   3           HG3      ARG   3  16.487  15.587   8.134
   19    HD2  ARG   3           HD2      ARG   3  16.113  17.793   7.676
   20    HD3  ARG   3           HD3      ARG   3  15.600  17.078   6.142
   21    HE   ARG   3           HE       ARG   3  13.492  17.421   8.196
   22   HH11  ARG   3          HH21      ARG   3  15.079  19.030   5.431
   23   HH12  ARG   3          HH22      ARG   3  13.768  20.141   5.193
   24   HH21  ARG   3          HH11      ARG   3  11.886  18.793   7.920
   25   HH22  ARG   3          HH12      ARG   3  11.851  20.013   6.656
   26    H    SER   4           H        SER   4  11.913  12.504   6.585
   27    HA   SER   4           HA       SER   4  12.977  11.224   4.252
   28    HB2  SER   4           HB2      SER   4  10.295  10.801   5.634
   29    HB3  SER   4           HB3      SER   4  11.108   9.668   4.545
   30    HG   SER   4           HG       SER   4  12.768   9.421   6.070
   31    H    LYS   5           H        LYS   5  12.091  11.047   2.155
   32    HA   LYS   5           HA       LYS   5  10.316  13.233   1.281
   33    HB2  LYS   5           HB2      LYS   5  11.653  10.916  -0.205
   34    HB3  LYS   5           HB3      LYS   5  10.529  12.023  -0.971
   35    HG2  LYS   5           HG2      LYS   5  13.231  12.765   0.221
   36    HG3  LYS   5           HG3      LYS   5  12.771  12.692  -1.490
   37    HD2  LYS   5           HD2      LYS   5  10.996  14.467  -0.937
   38    HD3  LYS   5           HD3      LYS   5  11.839  14.679   0.614
   39    HE2  LYS   5           HE2      LYS   5  13.937  15.225  -0.621
   40    HE3  LYS   5           HE3      LYS   5  13.067  15.037  -2.150
   41    HZ1  LYS   5           HZ1      LYS   5  11.531  16.823  -1.355
   42    HZ2  LYS   5           HZ2      LYS   5  12.526  17.086  -0.076
   43    HZ3  LYS   5           HZ3      LYS   5  13.078  17.345  -1.594
   44    H    THR   6           H        THR   6   8.304  12.929   0.317
   45    HA   THR   6           HA       THR   6   6.942  10.308   0.712
   46    HB   THR   6           HB       THR   6   5.591  12.965   1.282
   47    HG1  THR   6           HG1      THR   6   7.115  12.836   2.897
   48   HG21  THR   6          HG21      THR   6   4.979  10.109   2.195
   49   HG22  THR   6          HG22      THR   6   3.931  11.544   2.348
   50   HG23  THR   6          HG23      THR   6   4.280  10.846   0.755
   51    H    THR   7           H        THR   7   7.408   9.876  -1.449
   52    HA   THR   7           HA       THR   7   6.194  11.727  -3.431
   53    HB   THR   7           HB       THR   7   8.219  10.814  -4.861
   54    HG1  THR   7           HG1      THR   7   9.191   9.430  -3.390
   55   HG21  THR   7          HG21      THR   7   9.657  12.703  -4.006
   56   HG22  THR   7          HG22      THR   7   8.011  13.155  -4.438
   57   HG23  THR   7          HG23      THR   7   8.460  12.972  -2.724
   58    H    ASN   8           H        ASN   8   5.314  10.902  -5.245
   59    HA   ASN   8           HA       ASN   8   4.926   7.904  -5.546
   60    HB2  ASN   8           HB2      ASN   8   2.932  10.046  -5.470
   61    HB3  ASN   8           HB3      ASN   8   3.054   9.430  -7.099
   62   HD21  ASN   8          HD22      ASN   8   2.415   7.211  -7.567
   63   HD22  ASN   8          HD21      ASN   8   1.576   6.276  -6.352
   64    H    THR   9           H        THR   9   5.869   7.153  -7.423
   65    HA   THR   9           HA       THR   9   6.523   9.193  -9.477
   66    HB   THR   9           HB       THR   9   8.177   6.746  -8.813
   67    HG1  THR   9           HG1      THR   9   8.646   8.226  -7.309
   68   HG21  THR   9          HG21      THR   9   8.596   8.832 -10.988
   69   HG22  THR   9          HG22      THR   9   9.821   7.677 -10.426
   70   HG23  THR   9          HG23      THR   9   8.338   7.101 -11.197
   71    H    TRP  10           H        TRP  10   5.982   8.699 -11.540
   72    HA   TRP  10           HA       TRP  10   4.779   6.054 -12.173
   73    HB2  TRP  10           HB2      TRP  10   3.644   8.801 -12.911
   74    HB3  TRP  10           HB3      TRP  10   3.062   7.262 -13.520
   75    HD1  TRP  10           HD1      TRP  10   1.596   5.794 -11.895
   76    HE1  TRP  10           HE1      TRP  10   0.240   6.292  -9.804
   77    HE3  TRP  10           HE3      TRP  10   3.528  10.375 -10.856
   78    HZ2  TRP  10           HZ2      TRP  10  -0.247   8.628  -8.125
   79    HZ3  TRP  10           HZ3      TRP  10   2.451  11.824  -9.172
   80    HH2  TRP  10           HH2      TRP  10   0.565  10.966  -7.781
   81    H    VAL  11           H        VAL  11   5.104   5.529 -14.430
   82    HA   VAL  11           HA       VAL  11   6.850   7.380 -15.892
   83    HB   VAL  11           HB       VAL  11   8.100   5.409 -15.223
   84   HG11  VAL  11          HG11      VAL  11   6.334   3.688 -15.180
   85   HG12  VAL  11          HG12      VAL  11   6.200   3.774 -16.952
   86   HG13  VAL  11          HG13      VAL  11   7.697   3.200 -16.190
   87   HG21  VAL  11          HG21      VAL  11   8.666   6.615 -17.340
   88   HG22  VAL  11          HG22      VAL  11   9.071   4.894 -17.417
   89   HG23  VAL  11          HG23      VAL  11   7.623   5.502 -18.247
   90    H    LEU  12           H        LEU  12   6.290   7.881 -17.938
   91    HA   LEU  12           HA       LEU  12   3.663   6.909 -18.995
   92    HB2  LEU  12           HB2      LEU  12   4.723   9.610 -18.350
   93    HB3  LEU  12           HB3      LEU  12   4.173   9.474 -20.018
   94    HG   LEU  12           HG       LEU  12   1.947   8.992 -19.386
   95   HD11  LEU  12          HD11      LEU  12   1.326   8.784 -16.932
   96   HD12  LEU  12          HD12      LEU  12   2.216   7.422 -17.600
   97   HD13  LEU  12          HD13      LEU  12   3.055   8.620 -16.573
   98   HD21  LEU  12          HD21      LEU  12   3.080  11.115 -17.499
   99   HD22  LEU  12          HD22      LEU  12   2.683  11.363 -19.209
  100   HD23  LEU  12          HD23      LEU  12   1.402  11.018 -18.049
  101    H    HIS  13           H        HIS  13   4.085   5.705 -20.660
  102    HA   HIS  13           HA       HIS  13   6.368   6.363 -22.396
  103    HB2  HIS  13           HB2      HIS  13   6.133   3.997 -21.725
  104    HB3  HIS  13           HB3      HIS  13   4.525   3.947 -22.444
  105    HD1  HIS  13           HD1      HIS  13   7.454   5.622 -24.355
  106    HD2  HIS  13           HD2      HIS  13   5.222   2.043 -24.189
  107    HE1  HIS  13           HE1      HIS  13   8.110   4.261 -26.409
  108    H    MET  14           H        MET  14   5.887   7.831 -24.031
  109    HA   MET  14           HA       MET  14   3.295   7.758 -25.357
  110    HB2  MET  14           HB2      MET  14   4.301  10.298 -24.013
  111    HB3  MET  14           HB3      MET  14   2.858  10.152 -25.017
  112    HG2  MET  14           HG2      MET  14   1.903   8.568 -23.314
  113    HG3  MET  14           HG3      MET  14   3.302   8.888 -22.289
  114    HE1  MET  14           HE1      MET  14   3.492  12.260 -22.992
  115    HE2  MET  14           HE2      MET  14   2.751  12.740 -21.453
  116    HE3  MET  14           HE3      MET  14   3.938  11.421 -21.488
  117    H    ASP  15           H        ASP  15   3.511   8.389 -27.483
  118    HA   ASP  15           HA       ASP  15   4.559   8.720 -29.437
  119    HB2  ASP  15           HB2      ASP  15   3.979  10.982 -28.659
  120    HB3  ASP  15           HB3      ASP  15   5.612  11.184 -28.031
  121    H    GLY  16           H        GLY  16   5.957   6.861 -27.933
  122    HA2  GLY  16           HA2      GLY  16   7.830   5.577 -28.295
  123    HA3  GLY  16           HA3      GLY  16   8.488   6.834 -29.340
  124    H    GLU  17           H        GLU  17   7.818   8.544 -26.587
  125    HA   GLU  17           HA       GLU  17  10.515   8.199 -25.497
  126    HB2  GLU  17           HB2      GLU  17   8.511  10.482 -25.446
  127    HB3  GLU  17           HB3      GLU  17   9.860  10.406 -24.306
  128    HG2  GLU  17           HG2      GLU  17  11.444  10.202 -26.212
  129    HG3  GLU  17           HG3      GLU  17  10.103  10.397 -27.345
  130    H    ASN  18           H        ASN  18  10.662   8.516 -23.077
  131    HA   ASN  18           HA       ASN  18   8.362   7.413 -21.601
  132    HB2  ASN  18           HB2      ASN  18  11.209   6.423 -21.498
  133    HB3  ASN  18           HB3      ASN  18  10.250   6.476 -20.021
  134   HD21  ASN  18          HD22      ASN  18  10.415   4.965 -23.270
  135   HD22  ASN  18          HD21      ASN  18   9.235   3.725 -22.919
  136    H    PHE  19           H        PHE  19   7.729   8.802 -20.169
  137    HA   PHE  19           HA       PHE  19   9.529  11.004 -19.239
  138    HB2  PHE  19           HB2      PHE  19   6.491  10.869 -19.357
  139    HB3  PHE  19           HB3      PHE  19   7.445  12.238 -18.819
  140    HD1  PHE  19           HD2      PHE  19   6.396  10.245 -21.773
  141    HD2  PHE  19           HD1      PHE  19   8.539  13.739 -20.418
  142    HE1  PHE  19           HE2      PHE  19   6.543  11.063 -24.107
  143    HE2  PHE  19           HE1      PHE  19   8.692  14.543 -22.764
  144    HZ   PHE  19           HZ       PHE  19   7.714  13.197 -24.612
  145    H    ARG  20           H        ARG  20   9.943  11.129 -17.045
  146    HA   ARG  20           HA       ARG  20   8.522   9.227 -15.278
  147    HB2  ARG  20           HB2      ARG  20  11.264  10.163 -15.287
  148    HB3  ARG  20           HB3      ARG  20  10.482  10.833 -13.863
  149    HG2  ARG  20           HG2      ARG  20  11.461   8.770 -13.217
  150    HG3  ARG  20           HG3      ARG  20   9.709   8.582 -13.189
  151    HD2  ARG  20           HD2      ARG  20  10.728   6.576 -14.123
  152    HD3  ARG  20           HD3      ARG  20   9.797   7.387 -15.361
  153    HE   ARG  20           HE       ARG  20  11.701   7.929 -16.549
  154   HH11  ARG  20          HH11      ARG  20  12.699   6.466 -13.452
  155   HH12  ARG  20          HH12      ARG  20  14.342   6.262 -13.933
  156   HH21  ARG  20          HH21      ARG  20  13.891   7.651 -17.168
  157   HH22  ARG  20          HH22      ARG  20  15.029   6.945 -16.086
  158    H    ILE  21           H        ILE  21   7.138   9.978 -13.727
  159    HA   ILE  21           HA       ILE  21   6.684  12.887 -13.527
  160    HB   ILE  21           HB       ILE  21   4.741  10.611 -13.150
  161   HG12  ILE  21          HG12      ILE  21   5.246  10.940 -15.485
  162   HG13  ILE  21          HG13      ILE  21   3.574  11.331 -15.107
  163   HG21  ILE  21          HG21      ILE  21   4.269  12.474 -11.569
  164   HG22  ILE  21          HG22      ILE  21   4.147  13.581 -12.956
  165   HG23  ILE  21          HG23      ILE  21   3.000  12.217 -12.769
  166   HD11  ILE  21          HD11      ILE  21   4.044  13.706 -15.315
  167   HD12  ILE  21          HD12      ILE  21   5.786  13.372 -15.552
  168   HD13  ILE  21          HD13      ILE  21   4.617  12.846 -16.756
  169    H    VAL  22           H        VAL  22   7.156  13.543 -11.332
  170    HA   VAL  22           HA       VAL  22   6.841  11.488  -9.270
  171    HB   VAL  22           HB       VAL  22   9.110  13.494  -9.296
  172   HG11  VAL  22          HG11      VAL  22   8.307  12.851  -7.020
  173   HG12  VAL  22          HG12      VAL  22   8.492  11.138  -7.452
  174   HG13  VAL  22          HG13      VAL  22   9.919  12.192  -7.340
  175   HG21  VAL  22          HG21      VAL  22  10.636  11.581  -9.584
  176   HG22  VAL  22          HG22      VAL  22   9.244  10.510  -9.787
  177   HG23  VAL  22          HG23      VAL  22   9.580  11.781 -10.988
  178    H    LEU  23           H        LEU  23   5.249  12.127  -8.009
  179    HA   LEU  23           HA       LEU  23   4.619  15.035  -7.690
  180    HB2  LEU  23           HB2      LEU  23   2.687  13.702  -8.044
  181    HB3  LEU  23           HB3      LEU  23   3.224  12.467  -6.896
  182    HG   LEU  23           HG       LEU  23   2.949  14.119  -5.007
  183   HD11  LEU  23          HD11      LEU  23   1.734  15.853  -7.207
  184   HD12  LEU  23          HD12      LEU  23   1.468  16.095  -5.466
  185   HD13  LEU  23          HD13      LEU  23   3.092  16.256  -6.125
  186   HD21  LEU  23          HD21      LEU  23   0.579  13.931  -4.837
  187   HD22  LEU  23          HD22      LEU  23   0.405  13.727  -6.589
  188   HD23  LEU  23          HD23      LEU  23   1.191  12.457  -5.606
  189    H    GLU  24           H        GLU  24   5.594  16.107  -6.072
  190    HA   GLU  24           HA       GLU  24   6.701  14.712  -3.713
  191    HB2  GLU  24           HB2      GLU  24   7.225  17.170  -5.200
  192    HB3  GLU  24           HB3      GLU  24   6.802  17.598  -3.547
  193    HG2  GLU  24           HG2      GLU  24   8.850  15.481  -4.251
  194    HG3  GLU  24           HG3      GLU  24   9.242  17.189  -4.107
  195    H    LYS  25           H        LYS  25   5.177  14.170  -2.190
  196    HA   LYS  25           HA       LYS  25   2.493  15.270  -2.432
  197    HB2  LYS  25           HB2      LYS  25   3.734  13.363  -0.432
  198    HB3  LYS  25           HB3      LYS  25   2.032  13.818  -0.450
  199    HG2  LYS  25           HG2      LYS  25   1.629  12.854  -2.585
  200    HG3  LYS  25           HG3      LYS  25   3.357  12.626  -2.929
  201    HD2  LYS  25           HD2      LYS  25   3.594  10.956  -1.247
  202    HD3  LYS  25           HD3      LYS  25   1.968  11.283  -0.577
  203    HE2  LYS  25           HE2      LYS  25   0.951  10.491  -2.715
  204    HE3  LYS  25           HE3      LYS  25   2.568  10.173  -3.359
  205    HZ1  LYS  25           HZ1      LYS  25   2.869   8.522  -1.536
  206    HZ2  LYS  25           HZ2      LYS  25   1.311   8.749  -1.063
  207    HZ3  LYS  25           HZ3      LYS  25   1.656   8.134  -2.553
  208    H    ASP  26           H        ASP  26   5.302  16.004  -0.404
  209    HA   ASP  26           HA       ASP  26   3.906  17.246   1.737
  210    HB2  ASP  26           HB2      ASP  26   6.276  16.651   1.901
  211    HB3  ASP  26           HB3      ASP  26   6.679  17.803   0.619
  212    H    ALA  27           H        ALA  27   5.187  18.506  -1.348
  213    HA   ALA  27           HA       ALA  27   4.103  21.166  -0.853
  214    HB1  ALA  27           HB1      ALA  27   6.424  20.920  -1.641
  215    HB2  ALA  27           HB2      ALA  27   5.844  20.091  -3.106
  216    HB3  ALA  27           HB3      ALA  27   5.431  21.793  -2.826
  217    H    MET  28           H        MET  28   3.161  18.286  -2.517
  218    HA   MET  28           HA       MET  28   1.753  17.727  -4.085
  219    HB2  MET  28           HB2      MET  28   0.181  20.149  -3.164
  220    HB3  MET  28           HB3      MET  28  -0.390  19.032  -4.404
  221    HG2  MET  28           HG2      MET  28   0.354  18.280  -1.566
  222    HG3  MET  28           HG3      MET  28  -1.281  18.472  -2.180
  223    HE1  MET  28           HE1      MET  28  -2.502  16.774  -3.815
  224    HE2  MET  28           HE2      MET  28  -1.234  16.949  -5.054
  225    HE3  MET  28           HE3      MET  28  -1.735  15.336  -4.512
  226    H    ASP  29           H        ASP  29   3.967  18.486  -5.038
  227    HA   ASP  29           HA       ASP  29   3.487  20.378  -7.279
  228    HB2  ASP  29           HB2      ASP  29   4.978  21.221  -5.368
  229    HB3  ASP  29           HB3      ASP  29   6.135  19.972  -5.867
  230    H    VAL  30           H        VAL  30   4.430  19.706  -9.289
  231    HA   VAL  30           HA       VAL  30   5.151  16.824  -9.276
  232    HB   VAL  30           HB       VAL  30   2.850  17.495 -10.142
  233   HG11  VAL  30          HG11      VAL  30   4.357  18.211 -12.688
  234   HG12  VAL  30          HG12      VAL  30   2.605  18.091 -12.461
  235   HG13  VAL  30          HG13      VAL  30   3.512  19.373 -11.638
  236   HG21  VAL  30          HG21      VAL  30   4.729  15.809 -11.840
  237   HG22  VAL  30          HG22      VAL  30   3.836  15.267 -10.400
  238   HG23  VAL  30          HG23      VAL  30   2.957  15.726 -11.870
  239    H    TRP  31           H        TRP  31   7.097  16.333  -9.902
  240    HA   TRP  31           HA       TRP  31   8.651  18.121 -11.662
  241    HB2  TRP  31           HB2      TRP  31   9.586  15.491 -10.456
  242    HB3  TRP  31           HB3      TRP  31  10.531  16.883 -10.920
  243    HD1  TRP  31           HD1      TRP  31   8.880  15.262  -7.971
  244    HE1  TRP  31           HE1      TRP  31   9.296  16.605  -5.860
  245    HE3  TRP  31           HE3      TRP  31  10.600  19.512 -10.102
  246    HZ2  TRP  31           HZ2      TRP  31  10.341  19.221  -5.143
  247    HZ3  TRP  31           HZ3      TRP  31  11.377  21.434  -8.689
  248    HH2  TRP  31           HH2      TRP  31  11.235  21.289  -6.208
  249    H    CYS  32           H        CYS  32   8.183  17.666 -13.872
  250    HA   CYS  32           HA       CYS  32   7.774  14.794 -14.605
  251    HB2  CYS  32           HB2      CYS  32   6.929  17.348 -15.997
  252    HB3  CYS  32           HB3      CYS  32   6.647  15.691 -16.602
  253    HG   CYS  32           HG       CYS  32   4.372  16.517 -15.637
  254    H    ASN  33           H        ASN  33   9.525  13.889 -15.572
  255    HA   ASN  33           HA       ASN  33  11.752  13.689 -15.933
  256    HB2  ASN  33           HB2      ASN  33  10.923  15.627 -18.110
  257    HB3  ASN  33           HB3      ASN  33  12.581  15.038 -17.991
  258   HD21  ASN  33          HD22      ASN  33  11.650  14.289 -20.298
  259   HD22  ASN  33          HD21      ASN  33  11.131  12.618 -20.275
  260    H    GLY  34           H        GLY  34  11.329  15.123 -13.688
  261    HA2  GLY  34           HA2      GLY  34  12.684  16.090 -12.123
  262    HA3  GLY  34           HA3      GLY  34  13.918  16.325 -13.360
  263    H    LYS  35           H        LYS  35  11.270  17.900 -14.671
  264    HA   LYS  35           HA       LYS  35  12.058  20.514 -13.437
  265    HB2  LYS  35           HB2      LYS  35  11.037  19.826 -16.230
  266    HB3  LYS  35           HB3      LYS  35  11.299  21.468 -15.622
  267    HG2  LYS  35           HG2      LYS  35  13.703  21.018 -15.327
  268    HG3  LYS  35           HG3      LYS  35  13.481  19.336 -15.851
  269    HD2  LYS  35           HD2      LYS  35  12.702  20.093 -18.058
  270    HD3  LYS  35           HD3      LYS  35  12.895  21.790 -17.556
  271    HE2  LYS  35           HE2      LYS  35  15.331  21.381 -17.178
  272    HE3  LYS  35           HE3      LYS  35  15.128  19.706 -17.694
  273    HZ1  LYS  35           HZ1      LYS  35  14.668  22.083 -19.411
  274    HZ2  LYS  35           HZ2      LYS  35  15.962  21.093 -19.484
  275    HZ3  LYS  35           HZ3      LYS  35  14.481  20.527 -19.890
  276    H    LYS  36           H        LYS  36  10.361  21.913 -12.695
  277    HA   LYS  36           HA       LYS  36   7.774  20.718 -12.340
  278    HB2  LYS  36           HB2      LYS  36   8.805  23.558 -12.064
  279    HB3  LYS  36           HB3      LYS  36   7.140  23.104 -11.681
  280    HG2  LYS  36           HG2      LYS  36   7.708  21.873  -9.806
  281    HG3  LYS  36           HG3      LYS  36   9.294  21.443 -10.420
  282    HD2  LYS  36           HD2      LYS  36   9.520  22.978  -8.551
  283    HD3  LYS  36           HD3      LYS  36  10.175  23.619 -10.069
  284    HE2  LYS  36           HE2      LYS  36   8.988  25.327  -8.703
  285    HE3  LYS  36           HE3      LYS  36   8.272  25.145 -10.307
  286    HZ1  LYS  36           HZ1      LYS  36   6.676  25.246  -8.377
  287    HZ2  LYS  36           HZ2      LYS  36   6.448  23.945  -9.350
  288    HZ3  LYS  36           HZ3      LYS  36   7.189  23.743  -7.921
  289    H    LEU  37           H        LEU  37   5.836  21.238 -13.351
  290    HA   LEU  37           HA       LEU  37   5.770  23.129 -15.547
  291    HB2  LEU  37           HB2      LEU  37   4.511  21.635 -17.011
  292    HB3  LEU  37           HB3      LEU  37   6.193  21.190 -16.726
  293    HG   LEU  37           HG       LEU  37   5.459  19.480 -15.115
  294   HD11  LEU  37          HD11      LEU  37   2.676  20.066 -16.199
  295   HD12  LEU  37          HD12      LEU  37   3.124  18.567 -15.348
  296   HD13  LEU  37          HD13      LEU  37   3.197  20.101 -14.500
  297   HD21  LEU  37          HD21      LEU  37   6.123  18.922 -17.383
  298   HD22  LEU  37          HD22      LEU  37   4.744  17.902 -16.964
  299   HD23  LEU  37          HD23      LEU  37   4.497  19.310 -18.006
  300    H    GLU  38           H        GLU  38   3.337  23.479 -16.129
  301    HA   GLU  38           HA       GLU  38   2.293  24.433 -13.675
  302    HB2  GLU  38           HB2      GLU  38   0.558  25.483 -14.970
  303    HB3  GLU  38           HB3      GLU  38   2.136  25.717 -15.723
  304    HG2  GLU  38           HG2      GLU  38   1.587  23.876 -17.349
  305    HG3  GLU  38           HG3      GLU  38  -0.023  23.757 -16.631
  306    H    THR  39           H        THR  39   0.461  23.952 -12.548
  307    HA   THR  39           HA       THR  39  -1.120  21.519 -13.159
  308    HB   THR  39           HB       THR  39  -0.933  21.149 -10.579
  309    HG1  THR  39           HG1      THR  39   0.493  22.815 -10.033
  310   HG21  THR  39          HG21      THR  39   1.235  20.287 -12.527
  311   HG22  THR  39          HG22      THR  39   0.887  19.519 -10.956
  312   HG23  THR  39          HG23      THR  39  -0.333  19.497 -12.241
  313    H    ALA  40           H        ALA  40  -3.195  21.561 -12.250
  314    HA   ALA  40           HA       ALA  40  -3.990  23.928 -10.644
  315    HB1  ALA  40           HB1      ALA  40  -6.145  24.021 -11.836
  316    HB2  ALA  40           HB2      ALA  40  -4.798  24.403 -12.931
  317    HB3  ALA  40           HB3      ALA  40  -5.583  22.803 -13.003
  318    H    GLY  41           H        GLY  41  -5.326  23.292  -8.939
  319    HA2  GLY  41           HA2      GLY  41  -5.543  20.334  -8.516
  320    HA3  GLY  41           HA3      GLY  41  -5.399  21.564  -7.249
  321    H    GLU  42           H        GLU  42  -7.567  20.038  -9.603
  322    HA   GLU  42           HA       GLU  42  -9.763  21.851  -8.997
  323    HB2  GLU  42           HB2      GLU  42  -9.437  20.846 -11.254
  324    HB3  GLU  42           HB3      GLU  42  -9.664  19.232 -10.544
  325    HG2  GLU  42           HG2      GLU  42 -11.628  19.979 -11.696
  326    HG3  GLU  42           HG3      GLU  42 -11.940  19.714  -9.980
  327    H    PHE  43           H        PHE  43 -11.579  21.207  -7.748
  328    HA   PHE  43           HA       PHE  43 -11.078  18.908  -5.893
  329    HB2  PHE  43           HB2      PHE  43 -11.036  21.177  -4.806
  330    HB3  PHE  43           HB3      PHE  43 -12.722  21.372  -5.299
  331    HD1  PHE  43           HD1      PHE  43 -10.411  19.149  -3.344
  332    HD2  PHE  43           HD2      PHE  43 -14.489  20.435  -3.966
  333    HE1  PHE  43           HE1      PHE  43 -11.123  17.873  -1.343
  334    HE2  PHE  43           HE2      PHE  43 -15.191  19.149  -1.966
  335    HZ   PHE  43           HZ       PHE  43 -13.517  17.866  -0.651
  336    H    VAL  44           H        VAL  44 -12.643  17.354  -5.807
  337    HA   VAL  44           HA       VAL  44 -15.167  17.813  -7.248
  338    HB   VAL  44           HB       VAL  44 -14.741  15.344  -7.978
  339   HG11  VAL  44          HG11      VAL  44 -13.747  16.092 -10.074
  340   HG12  VAL  44          HG12      VAL  44 -14.973  17.227  -9.481
  341   HG13  VAL  44          HG13      VAL  44 -13.234  17.614  -9.317
  342   HG21  VAL  44          HG21      VAL  44 -11.823  16.130  -7.717
  343   HG22  VAL  44          HG22      VAL  44 -12.690  14.967  -6.676
  344   HG23  VAL  44          HG23      VAL  44 -12.497  14.643  -8.407
  345    H    ASP  45           H        ASP  45 -16.703  16.027  -6.829
  346    HA   ASP  45           HA       ASP  45 -16.973  15.608  -3.968
  347    HB2  ASP  45           HB2      ASP  45 -18.899  16.298  -5.293
  348    HB3  ASP  45           HB3      ASP  45 -18.796  14.818  -6.251
  349    H    ASP  46           H        ASP  46 -14.792  14.452  -4.533
  350    HA   ASP  46           HA       ASP  46 -14.999  11.533  -4.324
  351    HB2  ASP  46           HB2      ASP  46 -15.175  11.856  -6.749
  352    HB3  ASP  46           HB3      ASP  46 -13.830  12.992  -6.723
  353    H    GLY  47           H        GLY  47 -13.034  14.566  -4.577
  354    HA2  GLY  47           HA2      GLY  47 -11.234  14.369  -2.609
  355    HA3  GLY  47           HA3      GLY  47 -10.593  13.223  -3.809
  356    H    THR  48           H        THR  48  -8.987  14.271  -4.931
  357    HA   THR  48           HA       THR  48  -9.577  16.971  -6.016
  358    HB   THR  48           HB       THR  48  -6.800  16.263  -5.126
  359    HG1  THR  48           HG1      THR  48  -7.962  16.000  -3.216
  360   HG21  THR  48          HG21      THR  48  -7.087  18.307  -6.448
  361   HG22  THR  48          HG22      THR  48  -8.263  18.925  -5.259
  362   HG23  THR  48          HG23      THR  48  -6.560  18.682  -4.808
  363    H    GLU  49           H        GLU  49  -8.564  17.352  -8.049
  364    HA   GLU  49           HA       GLU  49  -7.149  15.095  -9.281
  365    HB2  GLU  49           HB2      GLU  49  -9.520  16.543 -10.483
  366    HB3  GLU  49           HB3      GLU  49  -8.331  15.651 -11.460
  367    HG2  GLU  49           HG2      GLU  49  -8.749  13.604 -10.206
  368    HG3  GLU  49           HG3      GLU  49  -9.899  14.418  -9.150
  369    H    THR  50           H        THR  50  -5.145  15.895  -9.442
  370    HA   THR  50           HA       THR  50  -4.716  18.783  -9.899
  371    HB   THR  50           HB       THR  50  -2.821  16.490  -9.322
  372    HG1  THR  50           HG1      THR  50  -3.986  17.256  -7.529
  373   HG21  THR  50          HG21      THR  50  -2.209  19.398  -9.988
  374   HG22  THR  50          HG22      THR  50  -1.105  18.364  -9.034
  375   HG23  THR  50          HG23      THR  50  -1.513  17.926 -10.693
  376    H    HIS  51           H        HIS  51  -5.124  19.323 -12.002
  377    HA   HIS  51           HA       HIS  51  -4.696  17.380 -14.179
  378    HB2  HIS  51           HB2      HIS  51  -5.948  20.154 -14.085
  379    HB3  HIS  51           HB3      HIS  51  -5.757  19.208 -15.554
  380    HD1  HIS  51           HD1      HIS  51  -7.385  17.073 -15.862
  381    HD2  HIS  51           HD2      HIS  51  -8.006  19.456 -12.440
  382    HE1  HIS  51           HE1      HIS  51  -9.616  16.351 -14.861
  383    H    PHE  52           H        PHE  52  -3.232  17.652 -15.869
  384    HA   PHE  52           HA       PHE  52  -1.879  20.136 -16.363
  385    HB2  PHE  52           HB2      PHE  52   0.420  19.220 -16.178
  386    HB3  PHE  52           HB3      PHE  52  -0.371  19.441 -14.647
  387    HD1  PHE  52           HD2      PHE  52  -1.154  17.513 -13.296
  388    HD2  PHE  52           HD1      PHE  52   1.195  16.997 -16.883
  389    HE1  PHE  52           HE2      PHE  52  -0.447  15.291 -12.506
  390    HE2  PHE  52           HE1      PHE  52   1.891  14.737 -16.064
  391    HZ   PHE  52           HZ       PHE  52   1.108  13.906 -13.879
  392    H    SER  53           H        SER  53  -0.061  19.376 -18.224
  393    HA   SER  53           HA       SER  53  -1.094  17.203 -19.849
  394    HB2  SER  53           HB2      SER  53  -0.933  20.009 -21.020
  395    HB3  SER  53           HB3      SER  53  -1.340  18.519 -21.892
  396    HG   SER  53           HG       SER  53  -3.198  19.814 -21.275
  397    H    ILE  54           H        ILE  54   0.437  16.522 -21.395
  398    HA   ILE  54           HA       ILE  54   3.143  17.769 -21.387
  399    HB   ILE  54           HB       ILE  54   2.408  14.862 -20.859
  400   HG12  ILE  54          HG12      ILE  54   4.357  16.519 -19.224
  401   HG13  ILE  54          HG13      ILE  54   2.631  16.668 -18.926
  402   HG21  ILE  54          HG21      ILE  54   4.257  14.882 -22.496
  403   HG22  ILE  54          HG22      ILE  54   5.165  16.031 -21.486
  404   HG23  ILE  54          HG23      ILE  54   4.868  14.375 -20.920
  405   HD11  ILE  54          HD11      ILE  54   2.389  14.318 -18.437
  406   HD12  ILE  54          HD12      ILE  54   4.116  14.035 -18.783
  407   HD13  ILE  54          HD13      ILE  54   3.638  15.067 -17.421
  408    H    GLY  55           H        GLY  55   3.377  18.337 -23.514
  409    HA2  GLY  55           HA2      GLY  55   3.045  18.386 -25.797
  410    HA3  GLY  55           HA3      GLY  55   2.869  16.622 -25.746
  411    H    ASN  56           H        ASN  56   0.991  16.204 -26.832
  412    HA   ASN  56           HA       ASN  56  -1.373  17.901 -26.550
  413    HB2  ASN  56           HB2      ASN  56  -0.618  16.891 -28.728
  414    HB3  ASN  56           HB3      ASN  56  -1.005  15.297 -28.071
  415   HD21  ASN  56          HD22      ASN  56  -2.867  14.671 -29.215
  416   HD22  ASN  56          HD21      ASN  56  -4.288  15.673 -29.391
  417    H    HIS  57           H        HIS  57  -0.135  15.555 -24.491
  418    HA   HIS  57           HA       HIS  57  -2.645  14.016 -24.169
  419    HB2  HIS  57           HB2      HIS  57   0.057  13.584 -22.851
  420    HB3  HIS  57           HB3      HIS  57  -1.318  12.487 -22.862
  421    HD1  HIS  57           HD1      HIS  57  -1.870  11.373 -25.419
  422    HD2  HIS  57           HD2      HIS  57   1.759  13.439 -24.841
  423    HE1  HIS  57           HE1      HIS  57  -0.362  10.741 -27.370
  424    H    ASP  58           H        ASP  58  -4.065  14.674 -22.585
  425    HA   ASP  58           HA       ASP  58  -3.086  16.449 -20.440
  426    HB2  ASP  58           HB2      ASP  58  -5.144  17.074 -19.943
  427    HB3  ASP  58           HB3      ASP  58  -5.356  16.779 -21.668
  428    H    CYS  59           H        CYS  59  -3.192  15.909 -18.281
  429    HA   CYS  59           HA       CYS  59  -3.394  13.044 -17.569
  430    HB2  CYS  59           HB2      CYS  59  -1.161  14.777 -16.527
  431    HB3  CYS  59           HB3      CYS  59  -1.305  13.013 -16.529
  432    HG   CYS  59           HG       CYS  59  -0.902  15.090 -19.039
  433    H    TYR  60           H        TYR  60  -3.930  12.781 -15.263
  434    HA   TYR  60           HA       TYR  60  -3.793  15.171 -13.691
  435    HB2  TYR  60           HB2      TYR  60  -6.075  15.120 -12.803
  436    HB3  TYR  60           HB3      TYR  60  -5.987  15.531 -14.499
  437    HD1  TYR  60           HD1      TYR  60  -6.738  12.640 -12.217
  438    HD2  TYR  60           HD2      TYR  60  -7.336  14.449 -16.083
  439    HE1  TYR  60           HE1      TYR  60  -8.526  11.008 -12.694
  440    HE2  TYR  60           HE2      TYR  60  -9.246  12.936 -16.504
  441    HH   TYR  60           HH       TYR  60 -10.349  10.466 -14.129
  442    H    ILE  61           H        ILE  61  -3.419  14.780 -11.530
  443    HA   ILE  61           HA       ILE  61  -3.155  11.903 -10.804
  444    HB   ILE  61           HB       ILE  61  -2.249  14.378  -9.324
  445   HG12  ILE  61          HG12      ILE  61  -0.476  12.153 -10.400
  446   HG13  ILE  61          HG13      ILE  61  -1.006  13.426 -11.482
  447   HG21  ILE  61          HG21      ILE  61  -1.161  12.735  -7.769
  448   HG22  ILE  61          HG22      ILE  61  -2.916  12.636  -7.710
  449   HG23  ILE  61          HG23      ILE  61  -1.983  11.410  -8.604
  450   HD11  ILE  61          HD11      ILE  61   1.167  13.985 -10.567
  451   HD12  ILE  61          HD12      ILE  61  -0.051  15.161 -10.015
  452   HD13  ILE  61          HD13      ILE  61   0.534  13.888  -8.911
  453    H    LYS  62           H        LYS  62  -4.942  11.007 -10.090
  454    HA   LYS  62           HA       LYS  62  -7.155  12.592  -8.921
  455    HB2  LYS  62           HB2      LYS  62  -7.417  10.752 -10.690
  456    HB3  LYS  62           HB3      LYS  62  -6.923   9.586  -9.457
  457    HG2  LYS  62           HG2      LYS  62  -8.887  10.105  -8.130
  458    HG3  LYS  62           HG3      LYS  62  -9.304  11.468  -9.186
  459    HD2  LYS  62           HD2      LYS  62  -9.619   9.901 -11.098
  460    HD3  LYS  62           HD3      LYS  62  -9.159   8.547 -10.076
  461    HE2  LYS  62           HE2      LYS  62 -11.591   8.693 -10.445
  462    HE3  LYS  62           HE3      LYS  62 -11.172   8.769  -8.732
  463    HZ1  LYS  62           HZ1      LYS  62 -11.760  10.973  -8.609
  464    HZ2  LYS  62           HZ2      LYS  62 -11.585  11.296 -10.225
  465    HZ3  LYS  62           HZ3      LYS  62 -12.874  10.425  -9.670
  466    H    ALA  63           H        ALA  63  -7.307  12.774  -6.775
  467    HA   ALA  63           HA       ALA  63  -5.553  11.144  -5.023
  468    HB1  ALA  63           HB1      ALA  63  -5.212  13.250  -3.757
  469    HB2  ALA  63           HB2      ALA  63  -4.563  13.345  -5.404
  470    HB3  ALA  63           HB3      ALA  63  -6.107  14.134  -5.001
  471    H    VAL  64           H        VAL  64  -7.227   9.821  -4.322
  472    HA   VAL  64           HA       VAL  64  -9.877  10.947  -3.871
  473    HB   VAL  64           HB       VAL  64  -9.207   8.013  -3.489
  474   HG11  VAL  64          HG11      VAL  64 -11.497   8.910  -3.084
  475   HG12  VAL  64          HG12      VAL  64 -11.569   9.383  -4.786
  476   HG13  VAL  64          HG13      VAL  64 -11.436   7.667  -4.351
  477   HG21  VAL  64          HG21      VAL  64  -8.044   8.435  -5.570
  478   HG22  VAL  64          HG22      VAL  64  -9.546   7.567  -5.894
  479   HG23  VAL  64          HG23      VAL  64  -9.472   9.317  -6.203
  480    H    SER  65           H        SER  65 -10.660  11.385  -1.768
  481    HA   SER  65           HA       SER  65  -9.014  10.644   0.523
  482    HB2  SER  65           HB2      SER  65 -10.788  12.133   1.678
  483    HB3  SER  65           HB3      SER  65  -9.637  12.864   0.557
  484    HG   SER  65           HG       SER  65 -11.825  13.553   0.187
  485    H    SER  66           H        SER  66  -9.758   8.290  -0.435
  486    HA   SER  66           HA       SER  66 -12.165   7.404   1.093
  487    HB2  SER  66           HB2      SER  66 -10.845   6.235  -1.386
  488    HB3  SER  66           HB3      SER  66 -12.192   5.497  -0.495
  489    HG   SER  66           HG       SER  66 -13.043   6.726  -2.189
  490    H    GLY  67           H        GLY  67 -12.004   5.748   2.531
  491    HA2  GLY  67           HA2      GLY  67 -11.158   4.042   3.803
  492    HA3  GLY  67           HA3      GLY  67 -10.011   3.736   2.496
  493    H    LYS  68           H        LYS  68  -8.644   3.153   4.337
  494    HA   LYS  68           HA       LYS  68  -6.929   3.515   5.823
  495    HB2  LYS  68           HB2      LYS  68  -6.269   5.336   3.489
  496    HB3  LYS  68           HB3      LYS  68  -5.100   4.770   4.698
  497    HG2  LYS  68           HG2      LYS  68  -5.653   2.406   4.073
  498    HG3  LYS  68           HG3      LYS  68  -6.686   3.021   2.766
  499    HD2  LYS  68           HD2      LYS  68  -4.738   4.145   1.733
  500    HD3  LYS  68           HD3      LYS  68  -3.701   3.561   3.059
  501    HE2  LYS  68           HE2      LYS  68  -4.319   1.200   2.447
  502    HE3  LYS  68           HE3      LYS  68  -5.236   1.816   1.070
  503    HZ1  LYS  68           HZ1      LYS  68  -2.307   2.138   1.461
  504    HZ2  LYS  68           HZ2      LYS  68  -3.021   1.111   0.416
  505    HZ3  LYS  68           HZ3      LYS  68  -3.148   2.722   0.175
  506    H    ARG  69           H        ARG  69  -8.725   4.603   7.187
  507    HA   ARG  69           HA       ARG  69  -9.351   6.155   8.701
  508    HB2  ARG  69           HB2      ARG  69  -7.113   5.159   9.476
  509    HB3  ARG  69           HB3      ARG  69  -6.366   6.669   8.987
  510    HG2  ARG  69           HG2      ARG  69  -6.725   6.707  11.353
  511    HG3  ARG  69           HG3      ARG  69  -7.828   7.882  10.646
  512    HD2  ARG  69           HD2      ARG  69  -9.705   6.292  10.857
  513    HD3  ARG  69           HD3      ARG  69  -8.620   5.047  11.468
  514    HE   ARG  69           HE       ARG  69  -9.667   7.420  12.855
  515   HH11  ARG  69          HH11      ARG  69  -7.304   4.762  13.043
  516   HH12  ARG  69          HH12      ARG  69  -7.112   4.875  14.756
  517   HH21  ARG  69          HH21      ARG  69  -9.401   7.568  15.127
  518   HH22  ARG  69          HH22      ARG  69  -8.324   6.504  15.961
  519    H    LYS  70           H        LYS  70  -9.705   7.145   6.240
  520    HA   LYS  70           HA       LYS  70 -10.240   8.897   5.048
  521    HB2  LYS  70           HB2      LYS  70 -11.358   9.772   6.985
  522    HB3  LYS  70           HB3      LYS  70  -9.870  10.441   7.632
  523    HG2  LYS  70           HG2      LYS  70 -11.296  12.187   6.676
  524    HG3  LYS  70           HG3      LYS  70  -9.726  12.102   5.895
  525    HD2  LYS  70           HD2      LYS  70 -11.442  12.522   4.256
  526    HD3  LYS  70           HD3      LYS  70 -10.726  10.943   3.949
  527    HE2  LYS  70           HE2      LYS  70 -12.666   9.831   5.055
  528    HE3  LYS  70           HE3      LYS  70 -13.344  11.413   5.480
  529    HZ1  LYS  70           HZ1      LYS  70 -12.970  10.422   2.695
  530    HZ2  LYS  70           HZ2      LYS  70 -14.391  10.465   3.512
  531    HZ3  LYS  70           HZ3      LYS  70 -13.648  11.863   3.118
  532    H    GLU  71           H        GLU  71  -7.390  10.037   6.953
  533    HA   GLU  71           HA       GLU  71  -6.659  11.768   4.819
  534    HB2  GLU  71           HB2      GLU  71  -5.053  10.919   7.261
  535    HB3  GLU  71           HB3      GLU  71  -4.646  12.252   6.164
  536    HG2  GLU  71           HG2      GLU  71  -6.818  13.354   6.722
  537    HG3  GLU  71           HG3      GLU  71  -7.154  12.076   7.892
  538    H    GLY  72           H        GLY  72  -6.161   8.406   4.998
  539    HA2  GLY  72           HA2      GLY  72  -3.675   8.332   3.471
  540    HA3  GLY  72           HA3      GLY  72  -4.785   6.994   3.805
  541    H    ILE  73           H        ILE  73  -4.645  10.105   2.045
  542    HA   ILE  73           HA       ILE  73  -6.712   9.640   0.156
  543    HB   ILE  73           HB       ILE  73  -4.328  11.493   0.373
  544   HG12  ILE  73          HG12      ILE  73  -6.076  13.258   0.188
  545   HG13  ILE  73          HG13      ILE  73  -7.320  12.021   0.031
  546   HG21  ILE  73          HG21      ILE  73  -4.479  10.973  -2.089
  547   HG22  ILE  73          HG22      ILE  73  -6.193  11.445  -2.036
  548   HG23  ILE  73          HG23      ILE  73  -4.905  12.629  -1.688
  549   HD11  ILE  73          HD11      ILE  73  -6.839  11.265   2.341
  550   HD12  ILE  73          HD12      ILE  73  -5.541  12.487   2.450
  551   HD13  ILE  73          HD13      ILE  73  -7.238  12.988   2.290
  552    H    ILE  74           H        ILE  74  -6.741   8.490  -1.747
  553    HA   ILE  74           HA       ILE  74  -4.508   6.678  -2.311
  554    HB   ILE  74           HB       ILE  74  -7.239   6.970  -3.610
  555   HG12  ILE  74          HG12      ILE  74  -7.520   6.418  -1.252
  556   HG13  ILE  74          HG13      ILE  74  -8.039   5.124  -2.301
  557   HG21  ILE  74          HG21      ILE  74  -5.734   5.849  -5.124
  558   HG22  ILE  74          HG22      ILE  74  -5.166   4.756  -3.844
  559   HG23  ILE  74          HG23      ILE  74  -6.837   4.652  -4.443
  560   HD11  ILE  74          HD11      ILE  74  -5.949   3.860  -1.787
  561   HD12  ILE  74          HD12      ILE  74  -5.402   5.204  -0.751
  562   HD13  ILE  74          HD13      ILE  74  -6.847   4.273  -0.321
  563    H    HIS  75           H        HIS  75  -2.889   7.503  -3.685
  564    HA   HIS  75           HA       HIS  75  -3.632   9.705  -5.558
  565    HB2  HIS  75           HB2      HIS  75  -0.926   8.761  -4.549
  566    HB3  HIS  75           HB3      HIS  75  -1.166   9.954  -5.821
  567    HD1  HIS  75           HD1      HIS  75  -1.841   9.610  -2.001
  568    HD2  HIS  75           HD2      HIS  75  -1.732  12.425  -5.136
  569    HE1  HIS  75           HE1      HIS  75  -1.912  11.909  -0.915
  570    H    THR  76           H        THR  76  -3.890   9.226  -7.667
  571    HA   THR  76           HA       THR  76  -2.352   6.991  -8.849
  572    HB   THR  76           HB       THR  76  -5.252   7.529  -9.602
  573    HG1  THR  76           HG1      THR  76  -5.873   5.867  -8.213
  574   HG21  THR  76          HG21      THR  76  -5.086   5.189 -10.394
  575   HG22  THR  76          HG22      THR  76  -3.947   6.284 -11.213
  576   HG23  THR  76          HG23      THR  76  -3.365   5.158  -9.956
  577    H    LEU  77           H        LEU  77  -1.594   7.519 -10.969
  578    HA   LEU  77           HA       LEU  77  -2.265  10.253 -11.917
  579    HB2  LEU  77           HB2      LEU  77   0.100   9.771 -11.850
  580    HB3  LEU  77           HB3      LEU  77  -0.137   8.256 -12.737
  581    HG   LEU  77           HG       LEU  77  -0.913   9.582 -14.723
  582   HD11  LEU  77          HD11      LEU  77  -0.028  11.955 -13.022
  583   HD12  LEU  77          HD12      LEU  77  -0.368  12.018 -14.767
  584   HD13  LEU  77          HD13      LEU  77  -1.674  11.665 -13.643
  585   HD21  LEU  77          HD21      LEU  77   1.823  10.262 -13.584
  586   HD22  LEU  77          HD22      LEU  77   1.388   8.820 -14.525
  587   HD23  LEU  77          HD23      LEU  77   1.345  10.423 -15.293
  588    H    ILE  78           H        ILE  78  -3.709  10.484 -13.517
  589    HA   ILE  78           HA       ILE  78  -4.433   8.135 -15.130
  590    HB   ILE  78           HB       ILE  78  -6.046  10.372 -13.963
  591   HG12  ILE  78          HG12      ILE  78  -7.814   8.572 -13.901
  592   HG13  ILE  78          HG13      ILE  78  -6.633   7.432 -14.546
  593   HG21  ILE  78          HG21      ILE  78  -7.854   9.926 -15.657
  594   HG22  ILE  78          HG22      ILE  78  -6.484  10.902 -16.208
  595   HG23  ILE  78          HG23      ILE  78  -6.623   9.171 -16.679
  596   HD11  ILE  78          HD11      ILE  78  -5.252   7.775 -12.529
  597   HD12  ILE  78          HD12      ILE  78  -6.431   8.994 -11.954
  598   HD13  ILE  78          HD13      ILE  78  -6.889   7.263 -12.117
  599    H    VAL  79           H        VAL  79  -4.418   8.523 -17.437
  600    HA   VAL  79           HA       VAL  79  -3.662  11.176 -18.411
  601    HB   VAL  79           HB       VAL  79  -2.265   8.615 -19.253
  602   HG11  VAL  79          HG11      VAL  79  -0.745  10.113 -20.523
  603   HG12  VAL  79          HG12      VAL  79  -2.413  10.245 -21.099
  604   HG13  VAL  79          HG13      VAL  79  -1.733  11.511 -20.056
  605   HG21  VAL  79          HG21      VAL  79  -0.248   9.487 -18.256
  606   HG22  VAL  79          HG22      VAL  79  -1.107  10.918 -17.636
  607   HG23  VAL  79          HG23      VAL  79  -1.488   9.300 -17.012
  608    H    ASP  80           H        ASP  80  -4.905  11.681 -20.185
  609    HA   ASP  80           HA       ASP  80  -6.762  11.511 -21.478
  610    HB2  ASP  80           HB2      ASP  80  -4.961  10.716 -22.957
  611    HB3  ASP  80           HB3      ASP  80  -5.312   9.049 -22.502
  612    H    ASN  81           H        ASN  81  -7.246  10.572 -18.953
  613    HA   ASN  81           HA       ASN  81  -8.770   9.574 -17.664
  614    HB2  ASN  81           HB2      ASN  81 -10.363  10.363 -19.349
  615    HB3  ASN  81           HB3      ASN  81 -10.255   8.806 -20.169
  616   HD21  ASN  81          HD22      ASN  81 -10.940  10.112 -16.793
  617   HD22  ASN  81          HD21      ASN  81 -12.226   8.976 -16.506
  618    H    ARG  82           H        ARG  82  -6.566   7.735 -19.308
  619    HA   ARG  82           HA       ARG  82  -7.526   5.147 -18.273
  620    HB2  ARG  82           HB2      ARG  82  -5.157   5.999 -20.021
  621    HB3  ARG  82           HB3      ARG  82  -5.249   4.422 -19.251
  622    HG2  ARG  82           HG2      ARG  82  -6.092   4.111 -21.401
  623    HG3  ARG  82           HG3      ARG  82  -7.466   4.059 -20.273
  624    HD2  ARG  82           HD2      ARG  82  -8.178   6.263 -20.960
  625    HD3  ARG  82           HD3      ARG  82  -6.721   6.473 -21.963
  626    HE   ARG  82           HE       ARG  82  -8.011   4.173 -22.894
  627   HH11  ARG  82          HH11      ARG  82  -8.713   7.640 -22.640
  628   HH12  ARG  82          HH12      ARG  82  -9.855   7.657 -23.946
  629   HH21  ARG  82          HH21      ARG  82  -9.513   4.181 -24.655
  630   HH22  ARG  82          HH22      ARG  82 -10.305   5.640 -25.127
  631    H    GLU  83           H        GLU  83  -6.237   3.972 -16.786
  632    HA   GLU  83           HA       GLU  83  -5.129   5.753 -14.745
  633    HB2  GLU  83           HB2      GLU  83  -6.938   4.389 -14.069
  634    HB3  GLU  83           HB3      GLU  83  -6.186   2.913 -14.715
  635    HG2  GLU  83           HG2      GLU  83  -4.402   3.062 -13.019
  636    HG3  GLU  83           HG3      GLU  83  -5.079   4.593 -12.466
  637    H    ILE  84           H        ILE  84  -3.043   5.689 -13.980
  638    HA   ILE  84           HA       ILE  84  -1.109   3.883 -15.328
  639    HB   ILE  84           HB       ILE  84  -0.660   6.733 -14.345
  640   HG12  ILE  84          HG12      ILE  84  -2.118   6.966 -16.197
  641   HG13  ILE  84          HG13      ILE  84  -0.482   7.432 -16.631
  642   HG21  ILE  84          HG21      ILE  84   1.147   4.934 -15.997
  643   HG22  ILE  84          HG22      ILE  84   1.458   6.616 -15.517
  644   HG23  ILE  84          HG23      ILE  84   1.367   5.359 -14.290
  645   HD11  ILE  84          HD11      ILE  84  -0.169   5.371 -17.915
  646   HD12  ILE  84          HD12      ILE  84  -1.775   4.798 -17.411
  647   HD13  ILE  84          HD13      ILE  84  -1.640   6.229 -18.438
  648    HA   PRO  85           HA       PRO  85  -0.644   2.870 -10.894
  649    HB2  PRO  85           HB2      PRO  85   0.913   0.648 -11.103
  650    HB3  PRO  85           HB3      PRO  85  -0.825   0.641 -11.530
  651    HG2  PRO  85           HG2      PRO  85   1.554   0.944 -13.389
  652    HG3  PRO  85           HG3      PRO  85   0.145  -0.149 -13.572
  653    HD2  PRO  85           HD2      PRO  85   0.300   2.290 -14.821
  654    HD3  PRO  85           HD3      PRO  85  -1.254   1.627 -14.244
  655    H    GLU  86           H        GLU  86   1.087   3.072  -9.329
  656    HA   GLU  86           HA       GLU  86   3.263   4.802 -10.008
  657    HB2  GLU  86           HB2      GLU  86   3.765   4.868  -7.820
  658    HB3  GLU  86           HB3      GLU  86   2.044   4.511  -7.774
  659    HG2  GLU  86           HG2      GLU  86   2.679   2.058  -7.454
  660    HG3  GLU  86           HG3      GLU  86   4.360   2.600  -7.333
  661    H    ILE  87           H        ILE  87   5.587   4.160  -9.635
  662    HA   ILE  87           HA       ILE  87   6.262   2.065 -11.439
  663    HB   ILE  87           HB       ILE  87   8.619   2.565 -10.713
  664   HG12  ILE  87          HG12      ILE  87   7.454   4.783  -9.036
  665   HG13  ILE  87          HG13      ILE  87   8.008   3.260  -8.352
  666   HG21  ILE  87          HG21      ILE  87   6.963   4.970 -11.532
  667   HG22  ILE  87          HG22      ILE  87   8.699   4.698 -11.845
  668   HG23  ILE  87          HG23      ILE  87   7.500   3.661 -12.606
  669   HD11  ILE  87          HD11      ILE  87   9.776   4.919  -8.151
  670   HD12  ILE  87          HD12      ILE  87  10.274   3.608  -9.240
  671   HD13  ILE  87          HD13      ILE  87   9.787   5.183  -9.902
  672    H    ALA  88           H        ALA  88   7.511   0.199 -11.155
  673    HA   ALA  88           HA       ALA  88   7.906  -0.878  -8.449
  674    HB1  ALA  88           HB1      ALA  88   6.509  -2.406 -10.696
  675    HB2  ALA  88           HB2      ALA  88   7.108  -3.112  -9.180
  676    HB3  ALA  88           HB3      ALA  88   5.785  -1.924  -9.145
  677    H    SER  89           H        SER  89  10.087  -0.721  -8.559
  678    HA   SER  89           HA       SER  89  11.647  -1.190 -10.904
  679    HB2  SER  89           HB2      SER  89  12.542  -1.382  -8.000
  680    HB3  SER  89           HB3      SER  89  13.553  -1.055  -9.417
  681    HG   SER  89           HG       SER  89  13.007   0.896  -8.266
  Start of MODEL    8
    1    H1   GLU   1           H1       GLU   1  16.543  21.502  12.701
    2    H2   GLU   1           H2       GLU   1  16.764  21.373  11.084
    3    H3   GLU   1           H3       GLU   1  15.271  21.171  11.709
    4    HA   GLU   1           HA       GLU   1  17.583  19.396  12.167
    5    HB2  GLU   1           HB2      GLU   1  14.691  19.144  13.108
    6    HB3  GLU   1           HB3      GLU   1  15.876  17.836  13.158
    7    HG2  GLU   1           HG2      GLU   1  17.337  19.212  14.623
    8    HG3  GLU   1           HG3      GLU   1  16.113  20.486  14.646
    9    H    ASP   2           H        ASP   2  17.419  17.293  11.075
   10    HA   ASP   2           HA       ASP   2  16.421  17.494   8.352
   11    HB2  ASP   2           HB2      ASP   2  18.481  16.270   8.845
   12    HB3  ASP   2           HB3      ASP   2  17.607  15.179   9.937
   13    H    ARG   3           H        ARG   3  14.663  16.382   7.430
   14    HA   ARG   3           HA       ARG   3  12.994  14.648   9.086
   15    HB2  ARG   3           HB2      ARG   3  12.190  17.091   9.413
   16    HB3  ARG   3           HB3      ARG   3  11.767  17.068   7.703
   17    HG2  ARG   3           HG2      ARG   3   9.772  16.611   8.901
   18    HG3  ARG   3           HG3      ARG   3  10.273  15.068   8.195
   19    HD2  ARG   3           HD2      ARG   3  11.232  14.381  10.384
   20    HD3  ARG   3           HD3      ARG   3  10.765  15.955  11.071
   21    HE   ARG   3           HE       ARG   3   8.475  14.732   9.927
   22   HH11  ARG   3          HH11      ARG   3  10.649  14.278  12.707
   23   HH12  ARG   3          HH12      ARG   3   9.448  13.528  13.701
   24   HH21  ARG   3          HH21      ARG   3   6.882  13.712  11.245
   25   HH22  ARG   3          HH22      ARG   3   7.267  13.193  12.843
   26    H    SER   4           H        SER   4  11.895  13.137   7.792
   27    HA   SER   4           HA       SER   4  12.834  12.685   5.160
   28    HB2  SER   4           HB2      SER   4  10.322  11.562   6.457
   29    HB3  SER   4           HB3      SER   4  11.277  10.834   5.161
   30    HG   SER   4           HG       SER   4  11.771   9.910   7.219
   31    H    LYS   5           H        LYS   5  11.588  12.632   3.163
   32    HA   LYS   5           HA       LYS   5   9.140  14.264   3.019
   33    HB2  LYS   5           HB2      LYS   5  11.200  15.726   2.563
   34    HB3  LYS   5           HB3      LYS   5  11.485  14.718   1.130
   35    HG2  LYS   5           HG2      LYS   5   9.370  15.425   0.154
   36    HG3  LYS   5           HG3      LYS   5   8.871  16.209   1.661
   37    HD2  LYS   5           HD2      LYS   5   9.563  17.849   0.003
   38    HD3  LYS   5           HD3      LYS   5  10.618  17.902   1.418
   39    HE2  LYS   5           HE2      LYS   5  12.393  16.730   0.246
   40    HE3  LYS   5           HE3      LYS   5  11.318  16.349  -1.114
   41    HZ1  LYS   5           HZ1      LYS   5  11.196  18.659  -1.658
   42    HZ2  LYS   5           HZ2      LYS   5  12.156  19.097  -0.381
   43    HZ3  LYS   5           HZ3      LYS   5  12.777  18.215  -1.617
   44    H    THR   6           H        THR   6   7.898  13.723   1.079
   45    HA   THR   6           HA       THR   6   8.724  11.190  -0.245
   46    HB   THR   6           HB       THR   6   5.993  11.682   0.908
   47    HG1  THR   6           HG1      THR   6   7.267  11.388   2.651
   48   HG21  THR   6          HG21      THR   6   5.770   9.210   0.538
   49   HG22  THR   6          HG22      THR   6   6.048  10.059  -0.995
   50   HG23  THR   6          HG23      THR   6   7.380   9.184  -0.206
   51    H    THR   7           H        THR   7   8.419  11.059  -2.336
   52    HA   THR   7           HA       THR   7   6.723  13.025  -3.773
   53    HB   THR   7           HB       THR   7   8.606  12.623  -5.597
   54    HG1  THR   7           HG1      THR   7  10.638  12.286  -4.747
   55   HG21  THR   7          HG21      THR   7   9.972  14.584  -4.499
   56   HG22  THR   7          HG22      THR   7   8.312  14.845  -5.016
   57   HG23  THR   7          HG23      THR   7   8.664  14.591  -3.293
   58    H    ASN   8           H        ASN   8   5.951  12.144  -5.852
   59    HA   ASN   8           HA       ASN   8   5.974   9.133  -6.076
   60    HB2  ASN   8           HB2      ASN   8   3.636  10.980  -6.667
   61    HB3  ASN   8           HB3      ASN   8   3.728   9.247  -6.990
   62   HD21  ASN   8          HD22      ASN   8   4.353   7.879  -4.911
   63   HD22  ASN   8          HD21      ASN   8   3.445   8.312  -3.473
   64    H    THR   9           H        THR   9   6.716   8.494  -8.030
   65    HA   THR   9           HA       THR   9   7.016  10.611 -10.078
   66    HB   THR   9           HB       THR   9   9.052   8.510  -9.297
   67    HG1  THR   9           HG1      THR   9  10.189  10.166  -8.467
   68   HG21  THR   9          HG21      THR   9  10.551   9.677 -10.940
   69   HG22  THR   9          HG22      THR   9   9.233   8.759 -11.682
   70   HG23  THR   9          HG23      THR   9   9.113  10.509 -11.580
   71    H    TRP  10           H        TRP  10   6.711  10.060 -12.163
   72    HA   TRP  10           HA       TRP  10   6.029   7.280 -12.912
   73    HB2  TRP  10           HB2      TRP  10   4.321   9.763 -13.443
   74    HB3  TRP  10           HB3      TRP  10   4.054   8.173 -14.154
   75    HD1  TRP  10           HD1      TRP  10   3.135   6.284 -12.540
   76    HE1  TRP  10           HE1      TRP  10   1.766   6.333 -10.386
   77    HE3  TRP  10           HE3      TRP  10   3.967  11.121 -11.280
   78    HZ2  TRP  10           HZ2      TRP  10   0.997   8.355  -8.402
   79    HZ3  TRP  10           HZ3      TRP  10   2.807  12.149  -9.355
   80    HH2  TRP  10           HH2      TRP  10   1.313  10.787  -7.904
   81    H    VAL  11           H        VAL  11   6.292   6.992 -15.222
   82    HA   VAL  11           HA       VAL  11   7.221   9.298 -16.725
   83    HB   VAL  11           HB       VAL  11   9.255   8.217 -15.967
   84   HG11  VAL  11          HG11      VAL  11   8.469   5.908 -15.681
   85   HG12  VAL  11          HG12      VAL  11   8.351   5.720 -17.442
   86   HG13  VAL  11          HG13      VAL  11   9.931   5.977 -16.679
   87   HG21  VAL  11          HG21      VAL  11   8.899   7.752 -18.979
   88   HG22  VAL  11          HG22      VAL  11   9.231   9.316 -18.232
   89   HG23  VAL  11          HG23      VAL  11  10.414   8.004 -18.112
   90    H    LEU  12           H        LEU  12   6.709   9.244 -18.929
   91    HA   LEU  12           HA       LEU  12   5.335   6.838 -19.988
   92    HB2  LEU  12           HB2      LEU  12   4.342   9.722 -20.285
   93    HB3  LEU  12           HB3      LEU  12   3.875   8.385 -21.317
   94    HG   LEU  12           HG       LEU  12   3.247   7.232 -18.953
   95   HD11  LEU  12          HD11      LEU  12   2.190   8.908 -17.476
   96   HD12  LEU  12          HD12      LEU  12   3.926   9.207 -17.593
   97   HD13  LEU  12          HD13      LEU  12   2.800  10.227 -18.500
   98   HD21  LEU  12          HD21      LEU  12   1.541   9.205 -20.524
   99   HD22  LEU  12          HD22      LEU  12   1.807   7.492 -20.907
  100   HD23  LEU  12          HD23      LEU  12   0.929   7.938 -19.435
  101    H    HIS  13           H        HIS  13   5.506   6.735 -22.292
  102    HA   HIS  13           HA       HIS  13   7.593   8.436 -23.484
  103    HB2  HIS  13           HB2      HIS  13   8.371   6.122 -23.269
  104    HB3  HIS  13           HB3      HIS  13   6.920   5.539 -24.088
  105    HD1  HIS  13           HD1      HIS  13   8.930   8.541 -25.500
  106    HD2  HIS  13           HD2      HIS  13   8.255   4.420 -26.096
  107    HE1  HIS  13           HE1      HIS  13  10.049   7.932 -27.709
  108    H    MET  14           H        MET  14   6.649   9.845 -24.921
  109    HA   MET  14           HA       MET  14   4.309   9.044 -26.465
  110    HB2  MET  14           HB2      MET  14   4.279  11.529 -24.693
  111    HB3  MET  14           HB3      MET  14   3.039  11.080 -25.866
  112    HG2  MET  14           HG2      MET  14   2.633   8.983 -24.533
  113    HG3  MET  14           HG3      MET  14   3.739   9.606 -23.306
  114    HE1  MET  14           HE1      MET  14   1.747  12.744 -21.923
  115    HE2  MET  14           HE2      MET  14   3.262  11.817 -21.841
  116    HE3  MET  14           HE3      MET  14   2.897  12.811 -23.274
  117    H    ASP  15           H        ASP  15   4.275  10.122 -28.439
  118    HA   ASP  15           HA       ASP  15   5.143  11.163 -30.227
  119    HB2  ASP  15           HB2      ASP  15   3.770  12.849 -29.065
  120    HB3  ASP  15           HB3      ASP  15   5.220  13.501 -28.306
  121    H    GLY  16           H        GLY  16   7.164   9.683 -29.036
  122    HA2  GLY  16           HA2      GLY  16   9.374   9.299 -29.512
  123    HA3  GLY  16           HA3      GLY  16   9.465  10.870 -30.311
  124    H    GLU  17           H        GLU  17   8.290  11.321 -27.115
  125    HA   GLU  17           HA       GLU  17  10.977  11.835 -26.038
  126    HB2  GLU  17           HB2      GLU  17   8.410  13.450 -25.850
  127    HB3  GLU  17           HB3      GLU  17   9.699  13.610 -24.652
  128    HG2  GLU  17           HG2      GLU  17  11.321  14.114 -26.477
  129    HG3  GLU  17           HG3      GLU  17   9.999  14.081 -27.647
  130    H    ASN  18           H        ASN  18  11.008  11.857 -23.630
  131    HA   ASN  18           HA       ASN  18   9.130   9.919 -22.416
  132    HB2  ASN  18           HB2      ASN  18  12.110  10.133 -22.085
  133    HB3  ASN  18           HB3      ASN  18  11.111   9.737 -20.694
  134   HD21  ASN  18          HD22      ASN  18  11.795   8.646 -24.077
  135   HD22  ASN  18          HD21      ASN  18  11.294   6.997 -23.794
  136    H    PHE  19           H        PHE  19   7.892  10.833 -20.942
  137    HA   PHE  19           HA       PHE  19   8.634  13.529 -19.873
  138    HB2  PHE  19           HB2      PHE  19   5.897  12.266 -20.307
  139    HB3  PHE  19           HB3      PHE  19   6.199  13.807 -19.520
  140    HD1  PHE  19           HD1      PHE  19   7.146  15.748 -20.809
  141    HD2  PHE  19           HD2      PHE  19   5.962  12.071 -22.736
  142    HE1  PHE  19           HE1      PHE  19   7.193  16.889 -23.018
  143    HE2  PHE  19           HE2      PHE  19   5.985  13.230 -24.933
  144    HZ   PHE  19           HZ       PHE  19   6.625  15.617 -25.081
  145    H    ARG  20           H        ARG  20   9.617  13.144 -17.970
  146    HA   ARG  20           HA       ARG  20   8.600  11.140 -16.075
  147    HB2  ARG  20           HB2      ARG  20  10.895  13.129 -15.986
  148    HB3  ARG  20           HB3      ARG  20  10.260  12.349 -14.537
  149    HG2  ARG  20           HG2      ARG  20  10.478  10.194 -16.247
  150    HG3  ARG  20           HG3      ARG  20  11.875  11.176 -16.739
  151    HD2  ARG  20           HD2      ARG  20  12.531  11.266 -14.306
  152    HD3  ARG  20           HD3      ARG  20  11.113  10.236 -13.956
  153    HE   ARG  20           HE       ARG  20  12.648   8.925 -15.924
  154   HH11  ARG  20          HH11      ARG  20  13.131   9.897 -12.534
  155   HH12  ARG  20          HH12      ARG  20  14.206   8.597 -12.170
  156   HH21  ARG  20          HH21      ARG  20  14.101   7.206 -15.446
  157   HH22  ARG  20          HH22      ARG  20  14.787   7.052 -13.872
  158    H    ILE  21           H        ILE  21   7.474  11.650 -14.321
  159    HA   ILE  21           HA       ILE  21   6.477  14.404 -13.970
  160    HB   ILE  21           HB       ILE  21   4.929  11.803 -13.816
  161   HG12  ILE  21          HG12      ILE  21   5.188  12.711 -16.084
  162   HG13  ILE  21          HG13      ILE  21   3.511  12.652 -15.558
  163   HG21  ILE  21          HG21      ILE  21   4.262  13.267 -11.899
  164   HG22  ILE  21          HG22      ILE  21   3.881  14.551 -13.060
  165   HG23  ILE  21          HG23      ILE  21   2.966  13.017 -13.073
  166   HD11  ILE  21          HD11      ILE  21   3.421  15.054 -15.309
  167   HD12  ILE  21          HD12      ILE  21   5.185  15.198 -15.493
  168   HD13  ILE  21          HD13      ILE  21   4.208  14.689 -16.861
  169    H    VAL  22           H        VAL  22   6.888  15.046 -11.836
  170    HA   VAL  22           HA       VAL  22   7.044  12.932  -9.815
  171    HB   VAL  22           HB       VAL  22   8.969  15.279  -9.965
  172   HG11  VAL  22          HG11      VAL  22   8.808  12.907  -8.044
  173   HG12  VAL  22          HG12      VAL  22  10.081  14.143  -8.045
  174   HG13  VAL  22          HG13      VAL  22   8.415  14.591  -7.637
  175   HG21  VAL  22          HG21      VAL  22   9.588  13.635 -11.657
  176   HG22  VAL  22          HG22      VAL  22  10.745  13.604 -10.321
  177   HG23  VAL  22          HG23      VAL  22   9.505  12.338 -10.442
  178    H    LEU  23           H        LEU  23   5.460  13.316  -8.411
  179    HA   LEU  23           HA       LEU  23   4.318  16.049  -8.086
  180    HB2  LEU  23           HB2      LEU  23   2.899  14.021  -8.284
  181    HB3  LEU  23           HB3      LEU  23   3.588  13.390  -6.786
  182    HG   LEU  23           HG       LEU  23   1.790  15.802  -7.186
  183   HD11  LEU  23          HD11      LEU  23   1.445  13.348  -5.386
  184   HD12  LEU  23          HD12      LEU  23   0.191  14.495  -5.911
  185   HD13  LEU  23          HD13      LEU  23   0.917  13.362  -7.064
  186   HD21  LEU  23          HD21      LEU  23   1.667  15.924  -4.643
  187   HD22  LEU  23          HD22      LEU  23   3.214  15.054  -4.635
  188   HD23  LEU  23          HD23      LEU  23   3.042  16.655  -5.442
  189    H    GLU  24           H        GLU  24   5.158  17.304  -6.463
  190    HA   GLU  24           HA       GLU  24   6.904  16.218  -4.342
  191    HB2  GLU  24           HB2      GLU  24   6.817  18.628  -5.932
  192    HB3  GLU  24           HB3      GLU  24   6.522  19.103  -4.264
  193    HG2  GLU  24           HG2      GLU  24   8.761  17.286  -5.150
  194    HG3  GLU  24           HG3      GLU  24   8.907  19.044  -5.044
  195    H    LYS  25           H        LYS  25   5.820  15.468  -2.575
  196    HA   LYS  25           HA       LYS  25   3.014  16.051  -2.315
  197    HB2  LYS  25           HB2      LYS  25   4.882  14.632  -0.420
  198    HB3  LYS  25           HB3      LYS  25   3.134  14.754  -0.231
  199    HG2  LYS  25           HG2      LYS  25   2.727  13.642  -2.388
  200    HG3  LYS  25           HG3      LYS  25   4.461  13.575  -2.719
  201    HD2  LYS  25           HD2      LYS  25   3.805  11.435  -1.976
  202    HD3  LYS  25           HD3      LYS  25   4.794  12.180  -0.711
  203    HE2  LYS  25           HE2      LYS  25   2.702  12.772   0.552
  204    HE3  LYS  25           HE3      LYS  25   1.718  12.130  -0.768
  205    HZ1  LYS  25           HZ1      LYS  25   2.620   9.904  -0.256
  206    HZ2  LYS  25           HZ2      LYS  25   3.474  10.514   1.015
  207    HZ3  LYS  25           HZ3      LYS  25   1.851  10.551   1.032
  208    H    ASP  26           H        ASP  26   5.909  17.492  -0.873
  209    HA   ASP  26           HA       ASP  26   4.713  18.593   1.449
  210    HB2  ASP  26           HB2      ASP  26   7.130  18.425   1.167
  211    HB3  ASP  26           HB3      ASP  26   7.084  19.549  -0.195
  212    H    ALA  27           H        ALA  27   5.059  19.868  -1.867
  213    HA   ALA  27           HA       ALA  27   3.563  22.290  -1.166
  214    HB1  ALA  27           HB1      ALA  27   5.211  21.618  -3.634
  215    HB2  ALA  27           HB2      ALA  27   4.469  23.185  -3.259
  216    HB3  ALA  27           HB3      ALA  27   5.769  22.560  -2.224
  217    H    MET  28           H        MET  28   3.019  19.237  -2.619
  218    HA   MET  28           HA       MET  28   1.625  18.338  -4.020
  219    HB2  MET  28           HB2      MET  28  -0.022  19.728  -2.253
  220    HB3  MET  28           HB3      MET  28  -0.693  20.143  -3.834
  221    HG2  MET  28           HG2      MET  28  -0.100  17.354  -2.816
  222    HG3  MET  28           HG3      MET  28  -1.681  18.139  -2.871
  223    HE1  MET  28           HE1      MET  28  -3.017  16.606  -4.134
  224    HE2  MET  28           HE2      MET  28  -2.477  15.614  -5.513
  225    HE3  MET  28           HE3      MET  28  -1.683  15.440  -3.924
  226    H    ASP  29           H        ASP  29   3.545  19.659  -5.172
  227    HA   ASP  29           HA       ASP  29   2.385  21.113  -7.483
  228    HB2  ASP  29           HB2      ASP  29   4.174  22.285  -5.983
  229    HB3  ASP  29           HB3      ASP  29   5.320  21.188  -6.767
  230    H    VAL  30           H        VAL  30   3.586  20.549  -9.569
  231    HA   VAL  30           HA       VAL  30   4.524  17.737  -9.571
  232    HB   VAL  30           HB       VAL  30   2.285  18.824 -11.274
  233   HG11  VAL  30          HG11      VAL  30   3.727  17.356 -12.639
  234   HG12  VAL  30          HG12      VAL  30   3.695  16.122 -11.354
  235   HG13  VAL  30          HG13      VAL  30   2.213  16.522 -12.268
  236   HG21  VAL  30          HG21      VAL  30   2.226  16.521  -9.311
  237   HG22  VAL  30          HG22      VAL  30   1.504  18.126  -9.040
  238   HG23  VAL  30          HG23      VAL  30   0.883  17.099 -10.325
  239    H    TRP  31           H        TRP  31   6.424  17.750 -10.446
  240    HA   TRP  31           HA       TRP  31   7.301  19.756 -12.371
  241    HB2  TRP  31           HB2      TRP  31   8.874  17.364 -11.378
  242    HB3  TRP  31           HB3      TRP  31   9.464  18.906 -11.941
  243    HD1  TRP  31           HD1      TRP  31   8.468  17.032  -8.842
  244    HE1  TRP  31           HE1      TRP  31   9.003  18.398  -6.774
  245    HE3  TRP  31           HE3      TRP  31   9.258  21.507 -11.062
  246    HZ2  TRP  31           HZ2      TRP  31   9.761  21.121  -6.128
  247    HZ3  TRP  31           HZ3      TRP  31   9.993  23.496  -9.708
  248    HH2  TRP  31           HH2      TRP  31  10.224  23.303  -7.247
  249    H    CYS  32           H        CYS  32   6.923  19.310 -14.586
  250    HA   CYS  32           HA       CYS  32   7.029  16.481 -15.488
  251    HB2  CYS  32           HB2      CYS  32   6.092  17.415 -17.593
  252    HB3  CYS  32           HB3      CYS  32   5.041  17.636 -16.182
  253    HG   CYS  32           HG       CYS  32   7.250  19.870 -17.177
  254    H    ASN  33           H        ASN  33   9.024  15.846 -16.148
  255    HA   ASN  33           HA       ASN  33  11.293  16.000 -16.478
  256    HB2  ASN  33           HB2      ASN  33  10.181  17.643 -18.772
  257    HB3  ASN  33           HB3      ASN  33  11.904  17.307 -18.624
  258   HD21  ASN  33          HD22      ASN  33  10.841  16.352 -20.921
  259   HD22  ASN  33          HD21      ASN  33  10.679  14.604 -20.806
  260    H    GLY  34           H        GLY  34  10.569  17.570 -14.345
  261    HA2  GLY  34           HA2      GLY  34  11.762  18.887 -12.891
  262    HA3  GLY  34           HA3      GLY  34  12.865  19.329 -14.191
  263    H    LYS  35           H        LYS  35   9.950  20.170 -15.556
  264    HA   LYS  35           HA       LYS  35  10.136  22.971 -14.534
  265    HB2  LYS  35           HB2      LYS  35   8.776  21.790 -16.991
  266    HB3  LYS  35           HB3      LYS  35   8.747  23.497 -16.532
  267    HG2  LYS  35           HG2      LYS  35  11.217  23.609 -16.715
  268    HG3  LYS  35           HG3      LYS  35  11.264  21.903 -17.192
  269    HD2  LYS  35           HD2      LYS  35   9.878  22.410 -19.184
  270    HD3  LYS  35           HD3      LYS  35   9.839  24.130 -18.721
  271    HE2  LYS  35           HE2      LYS  35  12.325  24.212 -18.862
  272    HE3  LYS  35           HE3      LYS  35  12.355  22.511 -19.340
  273    HZ1  LYS  35           HZ1      LYS  35  12.506  23.968 -21.259
  274    HZ2  LYS  35           HZ2      LYS  35  11.116  23.114 -21.341
  275    HZ3  LYS  35           HZ3      LYS  35  11.093  24.696 -20.900
  276    H    LYS  36           H        LYS  36   8.292  23.952 -13.474
  277    HA   LYS  36           HA       LYS  36   6.317  22.123 -12.416
  278    HB2  LYS  36           HB2      LYS  36   6.317  25.165 -12.516
  279    HB3  LYS  36           HB3      LYS  36   5.238  24.170 -11.527
  280    HG2  LYS  36           HG2      LYS  36   6.850  23.681  -9.955
  281    HG3  LYS  36           HG3      LYS  36   8.160  23.695 -11.123
  282    HD2  LYS  36           HD2      LYS  36   8.466  25.552  -9.628
  283    HD3  LYS  36           HD3      LYS  36   8.151  26.087 -11.280
  284    HE2  LYS  36           HE2      LYS  36   6.917  27.573  -9.909
  285    HE3  LYS  36           HE3      LYS  36   5.715  26.482 -10.596
  286    HZ1  LYS  36           HZ1      LYS  36   5.351  26.824  -8.238
  287    HZ2  LYS  36           HZ2      LYS  36   5.735  25.250  -8.463
  288    HZ3  LYS  36           HZ3      LYS  36   6.848  26.298  -7.855
  289    H    LEU  37           H        LEU  37   4.172  21.828 -13.125
  290    HA   LEU  37           HA       LEU  37   3.322  23.356 -15.500
  291    HB2  LEU  37           HB2      LEU  37   1.867  21.506 -16.187
  292    HB3  LEU  37           HB3      LEU  37   3.594  21.289 -16.373
  293    HG   LEU  37           HG       LEU  37   3.673  19.877 -14.409
  294   HD11  LEU  37          HD11      LEU  37   1.501  18.862 -13.544
  295   HD12  LEU  37          HD12      LEU  37   1.791  20.534 -13.045
  296   HD13  LEU  37          HD13      LEU  37   0.653  20.179 -14.366
  297   HD21  LEU  37          HD21      LEU  37   2.604  17.909 -15.453
  298   HD22  LEU  37          HD22      LEU  37   1.559  18.979 -16.423
  299   HD23  LEU  37          HD23      LEU  37   3.301  18.944 -16.707
  300    H    GLU  38           H        GLU  38   0.901  23.431 -15.668
  301    HA   GLU  38           HA       GLU  38  -0.103  24.677 -13.266
  302    HB2  GLU  38           HB2      GLU  38  -2.013  25.280 -14.649
  303    HB3  GLU  38           HB3      GLU  38  -0.494  25.692 -15.451
  304    HG2  GLU  38           HG2      GLU  38  -0.709  23.515 -16.783
  305    HG3  GLU  38           HG3      GLU  38  -2.307  23.316 -16.077
  306    H    THR  39           H        THR  39  -1.953  23.977 -12.076
  307    HA   THR  39           HA       THR  39  -3.019  21.258 -12.599
  308    HB   THR  39           HB       THR  39  -2.718  20.917 -10.030
  309    HG1  THR  39           HG1      THR  39  -1.674  22.870  -9.510
  310   HG21  THR  39          HG21      THR  39  -1.760  19.489 -11.805
  311   HG22  THR  39          HG22      THR  39  -0.349  20.573 -11.911
  312   HG23  THR  39          HG23      THR  39  -0.662  19.664 -10.420
  313    H    ALA  40           H        ALA  40  -5.012  20.856 -11.690
  314    HA   ALA  40           HA       ALA  40  -6.302  22.934 -10.023
  315    HB1  ALA  40           HB1      ALA  40  -7.604  21.570 -12.429
  316    HB2  ALA  40           HB2      ALA  40  -8.428  22.580 -11.215
  317    HB3  ALA  40           HB3      ALA  40  -7.213  23.303 -12.293
  318    H    GLY  41           H        GLY  41  -7.443  21.928  -8.352
  319    HA2  GLY  41           HA2      GLY  41  -6.946  18.987  -8.058
  320    HA3  GLY  41           HA3      GLY  41  -7.044  20.170  -6.742
  321    H    GLU  42           H        GLU  42  -8.885  18.274  -9.109
  322    HA   GLU  42           HA       GLU  42 -11.420  19.484  -8.353
  323    HB2  GLU  42           HB2      GLU  42 -10.967  18.632 -10.658
  324    HB3  GLU  42           HB3      GLU  42 -10.761  16.998  -9.985
  325    HG2  GLU  42           HG2      GLU  42 -12.898  17.273 -11.040
  326    HG3  GLU  42           HG3      GLU  42 -13.064  16.899  -9.325
  327    H    PHE  43           H        PHE  43 -12.970  18.378  -7.062
  328    HA   PHE  43           HA       PHE  43 -11.847  16.200  -5.342
  329    HB2  PHE  43           HB2      PHE  43 -12.259  18.376  -4.141
  330    HB3  PHE  43           HB3      PHE  43 -13.974  18.191  -4.541
  331    HD1  PHE  43           HD2      PHE  43 -11.089  16.466  -2.840
  332    HD2  PHE  43           HD1      PHE  43 -15.385  16.834  -3.151
  333    HE1  PHE  43           HE2      PHE  43 -11.365  14.970  -0.886
  334    HE2  PHE  43           HE1      PHE  43 -15.648  15.335  -1.192
  335    HZ   PHE  43           HZ       PHE  43 -13.646  14.399  -0.054
  336    H    VAL  44           H        VAL  44 -13.003  14.331  -5.261
  337    HA   VAL  44           HA       VAL  44 -15.649  14.234  -6.536
  338    HB   VAL  44           HB       VAL  44 -14.727  11.971  -7.424
  339   HG11  VAL  44          HG11      VAL  44 -14.029  12.991  -9.520
  340   HG12  VAL  44          HG12      VAL  44 -15.430  13.820  -8.813
  341   HG13  VAL  44          HG13      VAL  44 -13.801  14.561  -8.710
  342   HG21  VAL  44          HG21      VAL  44 -12.406  11.787  -7.970
  343   HG22  VAL  44          HG22      VAL  44 -12.034  13.360  -7.241
  344   HG23  VAL  44          HG23      VAL  44 -12.578  12.004  -6.218
  345    H    ASP  45           H        ASP  45 -16.679  12.117  -6.130
  346    HA   ASP  45           HA       ASP  45 -16.700  11.587  -3.273
  347    HB2  ASP  45           HB2      ASP  45 -18.796  11.831  -4.506
  348    HB3  ASP  45           HB3      ASP  45 -18.396  10.431  -5.507
  349    H    ASP  46           H        ASP  46 -14.339  10.985  -3.962
  350    HA   ASP  46           HA       ASP  46 -13.846   8.103  -3.829
  351    HB2  ASP  46           HB2      ASP  46 -14.221   8.313  -6.213
  352    HB3  ASP  46           HB3      ASP  46 -13.282   9.798  -6.287
  353    H    GLY  47           H        GLY  47 -12.654  11.506  -4.123
  354    HA2  GLY  47           HA2      GLY  47 -10.755  11.703  -2.245
  355    HA3  GLY  47           HA3      GLY  47  -9.934  10.766  -3.509
  356    H    THR  48           H        THR  48  -8.644  12.210  -4.584
  357    HA   THR  48           HA       THR  48  -9.899  14.714  -5.565
  358    HB   THR  48           HB       THR  48  -6.979  14.605  -4.887
  359    HG1  THR  48           HG1      THR  48  -7.379  15.219  -2.768
  360   HG21  THR  48          HG21      THR  48  -7.814  16.582  -6.085
  361   HG22  THR  48          HG22      THR  48  -9.009  16.872  -4.792
  362   HG23  THR  48          HG23      THR  48  -7.266  17.012  -4.463
  363    H    GLU  49           H        GLU  49  -9.146  15.378  -7.636
  364    HA   GLU  49           HA       GLU  49  -7.363  13.536  -9.062
  365    HB2  GLU  49           HB2      GLU  49 -10.075  14.469 -10.051
  366    HB3  GLU  49           HB3      GLU  49  -8.794  13.861 -11.127
  367    HG2  GLU  49           HG2      GLU  49  -8.686  11.755  -9.862
  368    HG3  GLU  49           HG3      GLU  49  -9.954  12.309  -8.771
  369    H    THR  50           H        THR  50  -5.611  14.749  -9.294
  370    HA   THR  50           HA       THR  50  -5.825  17.685  -9.570
  371    HB   THR  50           HB       THR  50  -3.499  15.785  -9.171
  372    HG1  THR  50           HG1      THR  50  -4.799  16.163  -7.332
  373   HG21  THR  50          HG21      THR  50  -2.555  17.578 -10.429
  374   HG22  THR  50          HG22      THR  50  -3.474  18.805  -9.534
  375   HG23  THR  50          HG23      THR  50  -2.163  17.884  -8.740
  376    H    HIS  51           H        HIS  51  -6.405  18.245 -11.629
  377    HA   HIS  51           HA       HIS  51  -5.708  16.502 -13.895
  378    HB2  HIS  51           HB2      HIS  51  -7.519  18.931 -13.601
  379    HB3  HIS  51           HB3      HIS  51  -7.206  18.132 -15.138
  380    HD1  HIS  51           HD1      HIS  51  -8.298  15.680 -15.503
  381    HD2  HIS  51           HD2      HIS  51  -9.293  17.697 -11.938
  382    HE1  HIS  51           HE1      HIS  51 -10.256  14.418 -14.473
  383    H    PHE  52           H        PHE  52  -4.459  17.105 -15.663
  384    HA   PHE  52           HA       PHE  52  -3.677  19.815 -16.187
  385    HB2  PHE  52           HB2      PHE  52  -1.212  19.403 -16.131
  386    HB3  PHE  52           HB3      PHE  52  -1.980  19.455 -14.567
  387    HD1  PHE  52           HD1      PHE  52  -2.107  17.565 -13.088
  388    HD2  PHE  52           HD2      PHE  52  -0.203  17.260 -16.949
  389    HE1  PHE  52           HE1      PHE  52  -0.963  15.527 -12.346
  390    HE2  PHE  52           HE2      PHE  52   0.948  15.179 -16.183
  391    HZ   PHE  52           HZ       PHE  52   0.608  14.334 -13.882
  392    H    SER  53           H        SER  53  -1.821  19.449 -18.168
  393    HA   SER  53           HA       SER  53  -2.717  17.258 -19.908
  394    HB2  SER  53           HB2      SER  53  -2.954  20.185 -20.731
  395    HB3  SER  53           HB3      SER  53  -3.298  18.771 -21.742
  396    HG   SER  53           HG       SER  53  -5.206  19.730 -20.814
  397    H    ILE  54           H        ILE  54  -1.246  16.833 -21.615
  398    HA   ILE  54           HA       ILE  54   1.309  18.314 -21.724
  399    HB   ILE  54           HB       ILE  54   1.054  15.340 -21.072
  400   HG12  ILE  54          HG12      ILE  54   2.373  17.583 -19.472
  401   HG13  ILE  54          HG13      ILE  54   0.796  16.878 -19.104
  402   HG21  ILE  54          HG21      ILE  54   2.895  15.759 -22.716
  403   HG22  ILE  54          HG22      ILE  54   3.595  16.959 -21.608
  404   HG23  ILE  54          HG23      ILE  54   3.518  15.238 -21.171
  405   HD11  ILE  54          HD11      ILE  54   1.786  14.686 -18.693
  406   HD12  ILE  54          HD12      ILE  54   3.412  15.379 -18.962
  407   HD13  ILE  54          HD13      ILE  54   2.399  15.976 -17.635
  408    H    GLY  55           H        GLY  55   1.906  18.416 -23.909
  409    HA2  GLY  55           HA2      GLY  55   1.789  18.056 -26.191
  410    HA3  GLY  55           HA3      GLY  55   1.438  16.360 -25.819
  411    H    ASN  56           H        ASN  56  -0.418  15.766 -26.814
  412    HA   ASN  56           HA       ASN  56  -2.756  17.595 -26.792
  413    HB2  ASN  56           HB2      ASN  56  -1.845  17.025 -29.063
  414    HB3  ASN  56           HB3      ASN  56  -2.221  15.331 -28.728
  415   HD21  ASN  56          HD22      ASN  56  -3.702  15.363 -30.600
  416   HD22  ASN  56          HD21      ASN  56  -5.260  16.145 -30.484
  417    H    HIS  57           H        HIS  57  -1.919  15.979 -24.525
  418    HA   HIS  57           HA       HIS  57  -4.126  13.986 -24.359
  419    HB2  HIS  57           HB2      HIS  57  -1.447  13.689 -22.974
  420    HB3  HIS  57           HB3      HIS  57  -2.678  12.468 -23.248
  421    HD1  HIS  57           HD1      HIS  57  -2.870  11.776 -26.073
  422    HD2  HIS  57           HD2      HIS  57   0.530  13.797 -24.625
  423    HE1  HIS  57           HE1      HIS  57  -1.063  11.512 -27.845
  424    H    ASP  58           H        ASP  58  -5.161  13.903 -22.312
  425    HA   ASP  58           HA       ASP  58  -4.406  16.034 -20.380
  426    HB2  ASP  58           HB2      ASP  58  -6.467  16.207 -19.583
  427    HB3  ASP  58           HB3      ASP  58  -6.828  15.930 -21.280
  428    H    CYS  59           H        CYS  59  -4.268  15.471 -18.182
  429    HA   CYS  59           HA       CYS  59  -3.747  12.626 -17.554
  430    HB2  CYS  59           HB2      CYS  59  -1.951  14.829 -16.584
  431    HB3  CYS  59           HB3      CYS  59  -1.644  13.090 -16.620
  432    HG   CYS  59           HG       CYS  59  -1.864  15.260 -19.076
  433    H    TYR  60           H        TYR  60  -4.054  12.206 -15.235
  434    HA   TYR  60           HA       TYR  60  -4.365  14.531 -13.585
  435    HB2  TYR  60           HB2      TYR  60  -6.515  13.988 -12.602
  436    HB3  TYR  60           HB3      TYR  60  -6.635  14.350 -14.313
  437    HD1  TYR  60           HD1      TYR  60  -6.539  11.443 -11.931
  438    HD2  TYR  60           HD2      TYR  60  -7.810  12.946 -15.767
  439    HE1  TYR  60           HE1      TYR  60  -7.930   9.426 -12.271
  440    HE2  TYR  60           HE2      TYR  60  -9.317  11.001 -16.044
  441    HH   TYR  60           HH       TYR  60 -10.073   8.966 -15.111
  442    H    ILE  61           H        ILE  61  -3.772  14.157 -11.451
  443    HA   ILE  61           HA       ILE  61  -2.832  11.385 -10.906
  444    HB   ILE  61           HB       ILE  61  -2.389  13.944  -9.355
  445   HG12  ILE  61          HG12      ILE  61  -0.269  12.195 -10.670
  446   HG13  ILE  61          HG13      ILE  61  -1.114  13.403 -11.623
  447   HG21  ILE  61          HG21      ILE  61  -0.913  12.568  -7.918
  448   HG22  ILE  61          HG22      ILE  61  -2.568  11.989  -7.827
  449   HG23  ILE  61          HG23      ILE  61  -1.378  11.106  -8.811
  450   HD11  ILE  61          HD11      ILE  61  -0.444  15.171  -9.982
  451   HD12  ILE  61          HD12      ILE  61   0.559  13.956  -9.155
  452   HD13  ILE  61          HD13      ILE  61   0.918  14.393 -10.829
  453    H    LYS  62           H        LYS  62  -4.293  10.075 -10.062
  454    HA   LYS  62           HA       LYS  62  -6.747  11.087  -8.740
  455    HB2  LYS  62           HB2      LYS  62  -6.648   9.229 -10.526
  456    HB3  LYS  62           HB3      LYS  62  -5.861   8.212  -9.322
  457    HG2  LYS  62           HG2      LYS  62  -7.846   8.283  -7.908
  458    HG3  LYS  62           HG3      LYS  62  -8.593   9.518  -8.942
  459    HD2  LYS  62           HD2      LYS  62  -8.624   7.918 -10.853
  460    HD3  LYS  62           HD3      LYS  62  -7.842   6.699  -9.861
  461    HE2  LYS  62           HE2      LYS  62 -10.268   6.324 -10.156
  462    HE3  LYS  62           HE3      LYS  62  -9.807   6.462  -8.459
  463    HZ1  LYS  62           HZ1      LYS  62 -10.825   8.499  -8.275
  464    HZ2  LYS  62           HZ2      LYS  62 -10.822   8.855  -9.898
  465    HZ3  LYS  62           HZ3      LYS  62 -11.855   7.727  -9.281
  466    H    ALA  63           H        ALA  63  -6.779  11.227  -6.567
  467    HA   ALA  63           HA       ALA  63  -4.635   9.920  -4.993
  468    HB1  ALA  63           HB1      ALA  63  -4.181  12.328  -5.316
  469    HB2  ALA  63           HB2      ALA  63  -5.799  12.710  -4.672
  470    HB3  ALA  63           HB3      ALA  63  -4.581  11.949  -3.634
  471    H    VAL  64           H        VAL  64  -5.938   8.235  -4.342
  472    HA   VAL  64           HA       VAL  64  -8.746   8.691  -3.773
  473    HB   VAL  64           HB       VAL  64  -7.310   6.030  -3.340
  474   HG11  VAL  64          HG11      VAL  64  -9.446   5.096  -4.043
  475   HG12  VAL  64          HG12      VAL  64  -9.683   6.240  -2.712
  476   HG13  VAL  64          HG13      VAL  64 -10.079   6.726  -4.371
  477   HG21  VAL  64          HG21      VAL  64  -8.167   7.106  -6.052
  478   HG22  VAL  64          HG22      VAL  64  -6.499   6.704  -5.547
  479   HG23  VAL  64          HG23      VAL  64  -7.703   5.426  -5.703
  480    H    SER  65           H        SER  65  -9.460   9.149  -1.634
  481    HA   SER  65           HA       SER  65  -7.662   8.727   0.623
  482    HB2  SER  65           HB2      SER  65 -10.621   9.419   0.664
  483    HB3  SER  65           HB3      SER  65  -9.421   9.642   1.953
  484    HG   SER  65           HG       SER  65  -9.803  11.608   0.819
  485    H    SER  66           H        SER  66  -7.268   6.654   1.224
  486    HA   SER  66           HA       SER  66  -9.458   4.646   1.228
  487    HB2  SER  66           HB2      SER  66  -6.676   4.510  -0.002
  488    HB3  SER  66           HB3      SER  66  -7.683   3.079   0.314
  489    HG   SER  66           HG       SER  66  -8.064   3.720  -1.777
  490    H    GLY  67           H        GLY  67  -8.620   2.588   2.381
  491    HA2  GLY  67           HA2      GLY  67  -7.660   1.601   4.294
  492    HA3  GLY  67           HA3      GLY  67  -6.983   3.158   4.780
  493    H    LYS  68           H        LYS  68  -8.007   2.268   6.865
  494    HA   LYS  68           HA       LYS  68 -10.674   3.495   7.226
  495    HB2  LYS  68           HB2      LYS  68  -9.863   0.740   8.270
  496    HB3  LYS  68           HB3      LYS  68 -11.274   1.654   8.819
  497    HG2  LYS  68           HG2      LYS  68 -12.190   1.622   6.492
  498    HG3  LYS  68           HG3      LYS  68 -10.804   0.635   5.983
  499    HD2  LYS  68           HD2      LYS  68 -11.461  -1.127   7.602
  500    HD3  LYS  68           HD3      LYS  68 -12.858  -0.147   8.103
  501    HE2  LYS  68           HE2      LYS  68 -13.722  -0.210   5.761
  502    HE3  LYS  68           HE3      LYS  68 -12.329  -1.180   5.270
  503    HZ1  LYS  68           HZ1      LYS  68 -14.407  -2.025   7.214
  504    HZ2  LYS  68           HZ2      LYS  68 -14.251  -2.565   5.683
  505    HZ3  LYS  68           HZ3      LYS  68 -13.104  -2.927   6.783
  506    H    ARG  69           H        ARG  69 -10.888   4.435   9.270
  507    HA   ARG  69           HA       ARG  69 -10.239   5.803  10.867
  508    HB2  ARG  69           HB2      ARG  69  -9.972   3.754  12.150
  509    HB3  ARG  69           HB3      ARG  69  -8.295   3.601  11.651
  510    HG2  ARG  69           HG2      ARG  69  -8.416   4.482  13.917
  511    HG3  ARG  69           HG3      ARG  69  -7.676   5.651  12.836
  512    HD2  ARG  69           HD2      ARG  69  -9.179   6.761  14.402
  513    HD3  ARG  69           HD3      ARG  69  -9.778   6.948  12.750
  514    HE   ARG  69           HE       ARG  69 -10.947   4.638  14.025
  515   HH11  ARG  69          HH11      ARG  69 -11.148   8.190  14.067
  516   HH12  ARG  69          HH12      ARG  69 -12.790   8.230  14.599
  517   HH21  ARG  69          HH21      ARG  69 -13.138   4.689  14.729
  518   HH22  ARG  69          HH22      ARG  69 -13.945   6.192  14.980
  519    H    LYS  70           H        LYS  70  -7.012   4.494   9.926
  520    HA   LYS  70           HA       LYS  70  -5.900   7.200   9.599
  521    HB2  LYS  70           HB2      LYS  70  -4.316   5.526  10.300
  522    HB3  LYS  70           HB3      LYS  70  -4.926   4.354   9.134
  523    HG2  LYS  70           HG2      LYS  70  -2.738   5.156   8.449
  524    HG3  LYS  70           HG3      LYS  70  -3.970   5.558   7.263
  525    HD2  LYS  70           HD2      LYS  70  -2.413   7.378   7.480
  526    HD3  LYS  70           HD3      LYS  70  -3.991   7.906   8.046
  527    HE2  LYS  70           HE2      LYS  70  -3.274   7.587  10.407
  528    HE3  LYS  70           HE3      LYS  70  -1.717   6.946   9.861
  529    HZ1  LYS  70           HZ1      LYS  70  -1.228   9.120   8.894
  530    HZ2  LYS  70           HZ2      LYS  70  -2.661   9.727   9.408
  531    HZ3  LYS  70           HZ3      LYS  70  -1.530   9.263  10.490
  532    H    GLU  71           H        GLU  71  -6.138   8.340   7.684
  533    HA   GLU  71           HA       GLU  71  -7.116   6.898   5.345
  534    HB2  GLU  71           HB2      GLU  71  -6.723   9.884   5.788
  535    HB3  GLU  71           HB3      GLU  71  -7.349   9.152   4.311
  536    HG2  GLU  71           HG2      GLU  71  -8.661   9.055   7.058
  537    HG3  GLU  71           HG3      GLU  71  -9.151  10.060   5.706
  538    H    GLY  72           H        GLY  72  -5.684   5.984   4.082
  539    HA2  GLY  72           HA2      GLY  72  -2.943   7.153   3.752
  540    HA3  GLY  72           HA3      GLY  72  -3.405   5.475   3.407
  541    H    ILE  73           H        ILE  73  -3.064   8.581   2.007
  542    HA   ILE  73           HA       ILE  73  -5.222   8.230   0.087
  543    HB   ILE  73           HB       ILE  73  -3.129  10.395   0.366
  544   HG12  ILE  73          HG12      ILE  73  -5.059  11.855   0.809
  545   HG13  ILE  73          HG13      ILE  73  -6.174  10.500   0.633
  546   HG21  ILE  73          HG21      ILE  73  -5.413  10.150  -1.643
  547   HG22  ILE  73          HG22      ILE  73  -4.396  11.586  -1.405
  548   HG23  ILE  73          HG23      ILE  73  -3.684  10.097  -2.040
  549   HD11  ILE  73          HD11      ILE  73  -4.080  10.685   2.827
  550   HD12  ILE  73          HD12      ILE  73  -5.757  11.261   2.977
  551   HD13  ILE  73          HD13      ILE  73  -5.456   9.543   2.710
  552    H    ILE  74           H        ILE  74  -4.997   7.067  -1.793
  553    HA   ILE  74           HA       ILE  74  -2.321   5.996  -2.495
  554    HB   ILE  74           HB       ILE  74  -5.109   5.320  -3.486
  555   HG12  ILE  74          HG12      ILE  74  -4.772   4.651  -1.165
  556   HG13  ILE  74          HG13      ILE  74  -4.903   3.255  -2.223
  557   HG21  ILE  74          HG21      ILE  74  -4.026   3.318  -4.525
  558   HG22  ILE  74          HG22      ILE  74  -3.561   4.843  -5.282
  559   HG23  ILE  74          HG23      ILE  74  -2.433   4.030  -4.173
  560   HD11  ILE  74          HD11      ILE  74  -2.429   2.941  -2.097
  561   HD12  ILE  74          HD12      ILE  74  -2.325   4.346  -1.006
  562   HD13  ILE  74          HD13      ILE  74  -3.213   2.898  -0.509
  563    H    HIS  75           H        HIS  75  -1.141   7.277  -3.856
  564    HA   HIS  75           HA       HIS  75  -2.568   9.101  -5.712
  565    HB2  HIS  75           HB2      HIS  75   0.338   8.950  -4.833
  566    HB3  HIS  75           HB3      HIS  75  -0.267  10.013  -6.097
  567    HD1  HIS  75           HD1      HIS  75  -0.648   9.542  -2.255
  568    HD2  HIS  75           HD2      HIS  75  -1.410  12.269  -5.381
  569    HE1  HIS  75           HE1      HIS  75  -1.337  11.733  -1.157
  570    H    THR  76           H        THR  76  -2.759   8.588  -7.822
  571    HA   THR  76           HA       THR  76  -0.789   6.777  -9.087
  572    HB   THR  76           HB       THR  76  -3.758   6.621  -9.749
  573    HG1  THR  76           HG1      THR  76  -3.704   5.903  -7.637
  574   HG21  THR  76          HG21      THR  76  -2.344   5.743 -11.438
  575   HG22  THR  76          HG22      THR  76  -1.330   4.860 -10.270
  576   HG23  THR  76          HG23      THR  76  -3.003   4.350 -10.540
  577    H    LEU  77           H        LEU  77  -0.321   7.441 -11.276
  578    HA   LEU  77           HA       LEU  77  -1.594   9.988 -12.100
  579    HB2  LEU  77           HB2      LEU  77   0.824   9.968 -12.232
  580    HB3  LEU  77           HB3      LEU  77   0.806   8.449 -13.136
  581    HG   LEU  77           HG       LEU  77  -0.421   9.641 -14.997
  582   HD11  LEU  77          HD11      LEU  77   0.241  12.099 -13.321
  583   HD12  LEU  77          HD12      LEU  77  -0.269  12.137 -15.024
  584   HD13  LEU  77          HD13      LEU  77  -1.385  11.549 -13.789
  585   HD21  LEU  77          HD21      LEU  77   1.990   9.250 -15.074
  586   HD22  LEU  77          HD22      LEU  77   1.580  10.801 -15.832
  587   HD23  LEU  77          HD23      LEU  77   2.285  10.773 -14.197
  588    H    ILE  78           H        ILE  78  -3.163   9.974 -13.608
  589    HA   ILE  78           HA       ILE  78  -3.519   7.568 -15.267
  590    HB   ILE  78           HB       ILE  78  -5.454   9.504 -14.015
  591   HG12  ILE  78          HG12      ILE  78  -6.861   7.470 -13.766
  592   HG13  ILE  78          HG13      ILE  78  -5.617   6.502 -14.554
  593   HG21  ILE  78          HG21      ILE  78  -5.886   8.193 -16.705
  594   HG22  ILE  78          HG22      ILE  78  -7.214   8.680 -15.649
  595   HG23  ILE  78          HG23      ILE  78  -6.084   9.916 -16.214
  596   HD11  ILE  78          HD11      ILE  78  -5.667   6.347 -12.070
  597   HD12  ILE  78          HD12      ILE  78  -4.112   6.879 -12.705
  598   HD13  ILE  78          HD13      ILE  78  -5.227   8.083 -11.991
  599    H    VAL  79           H        VAL  79  -3.493   7.999 -17.554
  600    HA   VAL  79           HA       VAL  79  -3.392  10.777 -18.462
  601    HB   VAL  79           HB       VAL  79  -1.401   8.669 -19.362
  602   HG11  VAL  79          HG11      VAL  79  -0.329  10.615 -20.561
  603   HG12  VAL  79          HG12      VAL  79  -1.934  10.222 -21.172
  604   HG13  VAL  79          HG13      VAL  79  -1.715  11.617 -20.095
  605   HG21  VAL  79          HG21      VAL  79   0.337  10.152 -18.315
  606   HG22  VAL  79          HG22      VAL  79  -0.974  11.082 -17.568
  607   HG23  VAL  79          HG23      VAL  79  -0.749   9.366 -17.160
  608    H    ASP  80           H        ASP  80  -4.630  11.026 -20.305
  609    HA   ASP  80           HA       ASP  80  -6.311  10.511 -21.707
  610    HB2  ASP  80           HB2      ASP  80  -4.327   9.993 -23.074
  611    HB3  ASP  80           HB3      ASP  80  -4.443   8.296 -22.597
  612    H    ASN  81           H        ASN  81  -6.725   9.550 -19.167
  613    HA   ASN  81           HA       ASN  81  -8.002   8.306 -17.879
  614    HB2  ASN  81           HB2      ASN  81  -9.688   8.841 -19.687
  615    HB3  ASN  81           HB3      ASN  81  -9.426   7.203 -20.294
  616   HD21  ASN  81          HD22      ASN  81 -11.451   6.261 -19.749
  617   HD22  ASN  81          HD21      ASN  81 -12.066   6.201 -18.114
  618    H    ARG  82           H        ARG  82  -5.520   6.883 -19.385
  619    HA   ARG  82           HA       ARG  82  -6.097   4.153 -18.438
  620    HB2  ARG  82           HB2      ARG  82  -3.892   5.398 -20.160
  621    HB3  ARG  82           HB3      ARG  82  -3.715   3.823 -19.393
  622    HG2  ARG  82           HG2      ARG  82  -4.491   3.341 -21.517
  623    HG3  ARG  82           HG3      ARG  82  -5.870   3.133 -20.406
  624    HD2  ARG  82           HD2      ARG  82  -6.866   5.191 -21.170
  625    HD3  ARG  82           HD3      ARG  82  -5.435   5.588 -22.155
  626    HE   ARG  82           HE       ARG  82  -6.343   3.108 -23.062
  627   HH11  ARG  82          HH11      ARG  82  -7.617   6.414 -22.859
  628   HH12  ARG  82          HH12      ARG  82  -8.732   6.225 -24.174
  629   HH21  ARG  82          HH21      ARG  82  -7.795   2.851 -24.840
  630   HH22  ARG  82          HH22      ARG  82  -8.819   4.146 -25.340
  631    H    GLU  83           H        GLU  83  -4.724   3.208 -16.903
  632    HA   GLU  83           HA       GLU  83  -3.839   5.156 -14.907
  633    HB2  GLU  83           HB2      GLU  83  -5.452   3.512 -14.234
  634    HB3  GLU  83           HB3      GLU  83  -4.382   2.176 -14.740
  635    HG2  GLU  83           HG2      GLU  83  -2.732   2.919 -13.012
  636    HG3  GLU  83           HG3      GLU  83  -3.840   4.231 -12.583
  637    H    ILE  84           H        ILE  84  -1.754   5.455 -14.277
  638    HA   ILE  84           HA       ILE  84   0.384   3.902 -15.618
  639    HB   ILE  84           HB       ILE  84   0.427   6.808 -14.716
  640   HG12  ILE  84          HG12      ILE  84  -1.118   6.739 -16.539
  641   HG13  ILE  84          HG13      ILE  84   0.397   7.458 -17.043
  642   HG21  ILE  84          HG21      ILE  84   2.428   5.200 -16.332
  643   HG22  ILE  84          HG22      ILE  84   2.493   6.953 -16.013
  644   HG23  ILE  84          HG23      ILE  84   2.620   5.812 -14.675
  645   HD11  ILE  84          HD11      ILE  84  -0.464   4.618 -17.708
  646   HD12  ILE  84          HD12      ILE  84  -0.569   6.020 -18.777
  647   HD13  ILE  84          HD13      ILE  84   1.023   5.420 -18.257
  648    HA   PRO  85           HA       PRO  85   1.039   3.059 -11.165
  649    HB2  PRO  85           HB2      PRO  85   2.872   1.044 -11.384
  650    HB3  PRO  85           HB3      PRO  85   1.126   0.808 -11.694
  651    HG2  PRO  85           HG2      PRO  85   3.332   1.297 -13.721
  652    HG3  PRO  85           HG3      PRO  85   2.041   0.055 -13.767
  653    HD2  PRO  85           HD2      PRO  85   1.858   2.436 -15.110
  654    HD3  PRO  85           HD3      PRO  85   0.412   1.640 -14.403
  655    H    GLU  86           H        GLU  86   2.762   3.514  -9.684
  656    HA   GLU  86           HA       GLU  86   4.617   5.572 -10.330
  657    HB2  GLU  86           HB2      GLU  86   4.017   3.810  -7.996
  658    HB3  GLU  86           HB3      GLU  86   5.668   4.432  -8.092
  659    HG2  GLU  86           HG2      GLU  86   4.840   6.711  -8.411
  660    HG3  GLU  86           HG3      GLU  86   3.167   6.146  -8.225
  661    H    ILE  87           H        ILE  87   6.916   5.473 -10.308
  662    HA   ILE  87           HA       ILE  87   8.067   3.411 -11.923
  663    HB   ILE  87           HB       ILE  87  10.247   4.441 -11.231
  664   HG12  ILE  87          HG12      ILE  87   8.677   6.548  -9.809
  665   HG13  ILE  87          HG13      ILE  87   9.385   5.195  -8.937
  666   HG21  ILE  87          HG21      ILE  87   9.912   6.460 -12.531
  667   HG22  ILE  87          HG22      ILE  87   8.969   5.130 -13.212
  668   HG23  ILE  87          HG23      ILE  87   8.153   6.383 -12.252
  669   HD11  ILE  87          HD11      ILE  87  10.978   7.179 -10.607
  670   HD12  ILE  87          HD12      ILE  87  10.919   7.077  -8.835
  671   HD13  ILE  87          HD13      ILE  87  11.637   5.760  -9.770
  672    H    ALA  88           H        ALA  88   9.598   1.850 -11.439
  673    HA   ALA  88           HA       ALA  88  10.292  -0.016 -10.469
  674    HB1  ALA  88           HB1      ALA  88  11.534   0.224  -8.413
  675    HB2  ALA  88           HB2      ALA  88  11.746   1.685  -9.397
  676    HB3  ALA  88           HB3      ALA  88  10.630   1.702  -8.007
  677    H    SER  89           H        SER  89   7.462   0.431 -10.287
  678    HA   SER  89           HA       SER  89   6.455  -1.006  -7.950
  679    HB2  SER  89           HB2      SER  89   5.187  -0.584 -10.692
  680    HB3  SER  89           HB3      SER  89   4.395  -1.283  -9.274
  681    HG   SER  89           HG       SER  89   5.202   1.375  -9.759
  Start of MODEL    9
    1    H1   GLU   1           H1       GLU   1  18.579  16.249  11.186
    2    H2   GLU   1           H2       GLU   1  18.824  17.834  11.565
    3    H3   GLU   1           H3       GLU   1  17.672  16.965  12.340
    4    HA   GLU   1           HA       GLU   1  16.639  18.428  10.736
    5    HB2  GLU   1           HB2      GLU   1  18.335  16.849   8.746
    6    HB3  GLU   1           HB3      GLU   1  16.948  17.838   8.297
    7    HG2  GLU   1           HG2      GLU   1  18.042  19.853   9.206
    8    HG3  GLU   1           HG3      GLU   1  19.448  18.890   9.682
    9    H    ASP   2           H        ASP   2  14.580  17.796   9.934
   10    HA   ASP   2           HA       ASP   2  13.783  15.015  10.493
   11    HB2  ASP   2           HB2      ASP   2  12.287  16.781  11.173
   12    HB3  ASP   2           HB3      ASP   2  12.245  17.453   9.547
   13    H    ARG   3           H        ARG   3  13.492  17.223   7.683
   14    HA   ARG   3           HA       ARG   3  13.352  16.876   5.466
   15    HB2  ARG   3           HB2      ARG   3  15.819  16.732   6.200
   16    HB3  ARG   3           HB3      ARG   3  15.706  15.013   5.849
   17    HG2  ARG   3           HG2      ARG   3  16.672  16.103   3.943
   18    HG3  ARG   3           HG3      ARG   3  15.046  15.599   3.488
   19    HD2  ARG   3           HD2      ARG   3  15.476  17.783   2.584
   20    HD3  ARG   3           HD3      ARG   3  14.226  17.918   3.827
   21    HE   ARG   3           HE       ARG   3  16.799  18.398   4.994
   22   HH11  ARG   3          HH11      ARG   3  14.510  19.978   2.772
   23   HH12  ARG   3          HH12      ARG   3  15.032  21.581   3.160
   24   HH21  ARG   3          HH21      ARG   3  17.478  20.465   5.518
   25   HH22  ARG   3          HH22      ARG   3  16.782  21.876   4.764
   26    H    SER   4           H        SER   4  11.412  15.281   6.708
   27    HA   SER   4           HA       SER   4  11.270  12.679   5.527
   28    HB2  SER   4           HB2      SER   4   9.025  14.612   6.258
   29    HB3  SER   4           HB3      SER   4   8.850  12.875   5.956
   30    HG   SER   4           HG       SER   4  10.175  14.232   8.046
   31    H    LYS   5           H        LYS   5   9.997  11.981   3.709
   32    HA   LYS   5           HA       LYS   5   9.210  13.970   1.675
   33    HB2  LYS   5           HB2      LYS   5  11.552  13.290   1.124
   34    HB3  LYS   5           HB3      LYS   5  11.046  11.592   1.117
   35    HG2  LYS   5           HG2      LYS   5   9.479  12.102  -0.786
   36    HG3  LYS   5           HG3      LYS   5  10.007  13.788  -0.734
   37    HD2  LYS   5           HD2      LYS   5  11.175  12.744  -2.528
   38    HD3  LYS   5           HD3      LYS   5  12.358  13.003  -1.238
   39    HE2  LYS   5           HE2      LYS   5  12.050  10.600  -0.535
   40    HE3  LYS   5           HE3      LYS   5  10.899  10.384  -1.859
   41    HZ1  LYS   5           HZ1      LYS   5  13.099   9.603  -2.466
   42    HZ2  LYS   5           HZ2      LYS   5  12.717  10.873  -3.417
   43    HZ3  LYS   5           HZ3      LYS   5  13.778  11.058  -2.182
   44    H    THR   6           H        THR   6   7.375  13.230   0.531
   45    HA   THR   6           HA       THR   6   6.509  10.416   0.901
   46    HB   THR   6           HB       THR   6   4.460  12.593   1.182
   47    HG1  THR   6           HG1      THR   6   4.746  12.719   3.370
   48   HG21  THR   6          HG21      THR   6   3.230  10.862   2.324
   49   HG22  THR   6          HG22      THR   6   3.978  10.064   0.922
   50   HG23  THR   6          HG23      THR   6   4.691   9.858   2.526
   51    H    THR   7           H        THR   7   6.464   9.653  -1.134
   52    HA   THR   7           HA       THR   7   5.512  11.425  -3.314
   53    HB   THR   7           HB       THR   7   7.577  10.333  -4.564
   54    HG1  THR   7           HG1      THR   7   8.404   9.086  -2.859
   55   HG21  THR   7          HG21      THR   7   7.866  12.685  -2.647
   56   HG22  THR   7          HG22      THR   7   9.054  12.239  -3.888
   57   HG23  THR   7          HG23      THR   7   7.436  12.726  -4.369
   58    H    ASN   8           H        ASN   8   4.692  10.440  -5.087
   59    HA   ASN   8           HA       ASN   8   4.413   7.436  -5.224
   60    HB2  ASN   8           HB2      ASN   8   2.305   9.585  -5.726
   61    HB3  ASN   8           HB3      ASN   8   2.399   8.166  -6.760
   62   HD21  ASN   8          HD22      ASN   8   0.433   7.153  -6.149
   63   HD22  ASN   8          HD21      ASN   8   0.197   6.528  -4.545
   64    H    THR   9           H        THR   9   5.179   6.658  -7.079
   65    HA   THR   9           HA       THR   9   5.998   8.620  -9.132
   66    HB   THR   9           HB       THR   9   7.321   6.013  -8.337
   67    HG1  THR   9           HG1      THR   9   8.875   7.249  -7.442
   68   HG21  THR   9          HG21      THR   9   7.538   6.431 -10.781
   69   HG22  THR   9          HG22      THR   9   8.258   7.988 -10.453
   70   HG23  THR   9          HG23      THR   9   9.085   6.512  -9.920
   71    H    TRP  10           H        TRP  10   5.580   8.011 -11.288
   72    HA   TRP  10           HA       TRP  10   4.168   5.464 -11.826
   73    HB2  TRP  10           HB2      TRP  10   3.241   8.197 -12.811
   74    HB3  TRP  10           HB3      TRP  10   2.595   6.653 -13.335
   75    HD1  TRP  10           HD1      TRP  10   0.937   5.422 -11.726
   76    HE1  TRP  10           HE1      TRP  10  -0.400   6.096  -9.669
   77    HE3  TRP  10           HE3      TRP  10   3.367   9.758 -10.650
   78    HZ2  TRP  10           HZ2      TRP  10  -0.626   8.480  -7.977
   79    HZ3  TRP  10           HZ3      TRP  10   2.516  11.277  -8.907
   80    HH2  TRP  10           HH2      TRP  10   0.505  10.669  -7.564
   81    H    VAL  11           H        VAL  11   4.386   4.936 -14.156
   82    HA   VAL  11           HA       VAL  11   6.299   6.576 -15.607
   83    HB   VAL  11           HB       VAL  11   7.611   4.763 -14.688
   84   HG11  VAL  11          HG11      VAL  11   5.854   2.841 -16.268
   85   HG12  VAL  11          HG12      VAL  11   7.318   2.430 -15.358
   86   HG13  VAL  11          HG13      VAL  11   5.881   3.000 -14.494
   87   HG21  VAL  11          HG21      VAL  11   7.273   4.447 -17.712
   88   HG22  VAL  11          HG22      VAL  11   8.204   5.726 -16.911
   89   HG23  VAL  11          HG23      VAL  11   8.701   4.029 -16.752
   90    H    LEU  12           H        LEU  12   5.830   6.818 -17.772
   91    HA   LEU  12           HA       LEU  12   3.475   5.378 -18.855
   92    HB2  LEU  12           HB2      LEU  12   3.666   8.145 -18.154
   93    HB3  LEU  12           HB3      LEU  12   3.929   8.111 -19.886
   94    HG   LEU  12           HG       LEU  12   1.613   8.483 -19.376
   95   HD11  LEU  12          HD11      LEU  12   1.893   5.663 -20.495
   96   HD12  LEU  12          HD12      LEU  12   0.574   6.806 -20.779
   97   HD13  LEU  12          HD13      LEU  12   2.198   7.151 -21.407
   98   HD21  LEU  12          HD21      LEU  12   0.220   6.842 -18.228
   99   HD22  LEU  12          HD22      LEU  12   1.606   5.781 -17.945
  100   HD23  LEU  12          HD23      LEU  12   1.556   7.363 -17.160
  101    H    HIS  13           H        HIS  13   3.953   4.355 -20.725
  102    HA   HIS  13           HA       HIS  13   6.412   5.047 -22.150
  103    HB2  HIS  13           HB2      HIS  13   5.932   2.659 -21.695
  104    HB3  HIS  13           HB3      HIS  13   4.418   2.794 -22.585
  105    HD1  HIS  13           HD1      HIS  13   7.760   4.232 -23.965
  106    HD2  HIS  13           HD2      HIS  13   5.036   1.046 -24.463
  107    HE1  HIS  13           HE1      HIS  13   8.507   2.954 -26.037
  108    H    MET  14           H        MET  14   6.314   6.373 -23.972
  109    HA   MET  14           HA       MET  14   3.845   6.736 -25.459
  110    HB2  MET  14           HB2      MET  14   3.473   8.195 -23.513
  111    HB3  MET  14           HB3      MET  14   5.069   8.913 -23.714
  112    HG2  MET  14           HG2      MET  14   4.260   9.743 -25.999
  113    HG3  MET  14           HG3      MET  14   2.643   9.247 -25.494
  114    HE1  MET  14           HE1      MET  14   2.075  11.646 -22.365
  115    HE2  MET  14           HE2      MET  14   1.491  10.209 -23.237
  116    HE3  MET  14           HE3      MET  14   2.939  10.101 -22.205
  117    H    ASP  15           H        ASP  15   4.413   7.180 -27.553
  118    HA   ASP  15           HA       ASP  15   5.682   7.467 -29.376
  119    HB2  ASP  15           HB2      ASP  15   5.079   9.745 -28.657
  120    HB3  ASP  15           HB3      ASP  15   6.642   9.900 -27.849
  121    H    GLY  16           H        GLY  16   6.862   5.552 -27.774
  122    HA2  GLY  16           HA2      GLY  16   8.735   4.232 -27.968
  123    HA3  GLY  16           HA3      GLY  16   9.525   5.499 -28.906
  124    H    GLU  17           H        GLU  17   8.521   7.023 -26.094
  125    HA   GLU  17           HA       GLU  17  11.064   6.548 -24.700
  126    HB2  GLU  17           HB2      GLU  17   9.312   9.016 -24.981
  127    HB3  GLU  17           HB3      GLU  17  10.482   8.848 -23.668
  128    HG2  GLU  17           HG2      GLU  17  12.291   8.442 -25.316
  129    HG3  GLU  17           HG3      GLU  17  11.147   8.704 -26.637
  130    H    ASN  18           H        ASN  18  10.849   6.986 -22.282
  131    HA   ASN  18           HA       ASN  18   8.264   6.104 -21.178
  132    HB2  ASN  18           HB2      ASN  18  11.000   5.020 -20.490
  133    HB3  ASN  18           HB3      ASN  18   9.758   5.158 -19.251
  134   HD21  ASN  18          HD22      ASN  18  10.579   3.486 -22.297
  135   HD22  ASN  18          HD21      ASN  18   9.315   2.286 -22.164
  136    H    PHE  19           H        PHE  19   7.469   7.631 -19.933
  137    HA   PHE  19           HA       PHE  19   9.256   9.799 -18.933
  138    HB2  PHE  19           HB2      PHE  19   6.258   9.752 -19.444
  139    HB3  PHE  19           HB3      PHE  19   7.157  11.105 -18.763
  140    HD1  PHE  19           HD1      PHE  19   8.716  12.433 -20.140
  141    HD2  PHE  19           HD2      PHE  19   6.472   9.161 -21.829
  142    HE1  PHE  19           HE1      PHE  19   9.402  13.143 -22.423
  143    HE2  PHE  19           HE2      PHE  19   7.164   9.878 -24.108
  144    HZ   PHE  19           HZ       PHE  19   8.655  11.828 -24.406
  145    H    ARG  20           H        ARG  20   9.751   9.659 -16.800
  146    HA   ARG  20           HA       ARG  20   7.981   8.134 -14.994
  147    HB2  ARG  20           HB2      ARG  20  10.807   9.174 -14.679
  148    HB3  ARG  20           HB3      ARG  20   9.802   8.739 -13.296
  149    HG2  ARG  20           HG2      ARG  20   9.374   6.568 -14.976
  150    HG3  ARG  20           HG3      ARG  20  11.075   6.963 -15.317
  151    HD2  ARG  20           HD2      ARG  20  11.489   6.896 -12.841
  152    HD3  ARG  20           HD3      ARG  20   9.762   6.482 -12.625
  153    HE   ARG  20           HE       ARG  20  10.963   4.613 -14.421
  154   HH11  ARG  20          HH11      ARG  20  11.202   5.485 -10.993
  155   HH12  ARG  20          HH12      ARG  20  11.571   3.888 -10.444
  156   HH21  ARG  20          HH21      ARG  20  11.506   2.476 -13.723
  157   HH22  ARG  20          HH22      ARG  20  11.785   2.151 -12.049
  158    H    ILE  21           H        ILE  21   6.944   9.044 -13.369
  159    HA   ILE  21           HA       ILE  21   6.643  11.986 -13.337
  160    HB   ILE  21           HB       ILE  21   4.547   9.860 -12.909
  161   HG12  ILE  21          HG12      ILE  21   5.147  10.017 -15.238
  162   HG13  ILE  21          HG13      ILE  21   3.492  10.529 -14.951
  163   HG21  ILE  21          HG21      ILE  21   4.113  11.842 -11.460
  164   HG22  ILE  21          HG22      ILE  21   4.115  12.860 -12.913
  165   HG23  ILE  21          HG23      ILE  21   2.884  11.579 -12.699
  166   HD11  ILE  21          HD11      ILE  21   4.111  12.856 -15.282
  167   HD12  ILE  21          HD12      ILE  21   5.840  12.412 -15.419
  168   HD13  ILE  21          HD13      ILE  21   4.688  11.867 -16.642
  169    H    VAL  22           H        VAL  22   7.022  12.736 -11.127
  170    HA   VAL  22           HA       VAL  22   6.431  10.816  -8.993
  171    HB   VAL  22           HB       VAL  22   8.844  12.655  -8.968
  172   HG11  VAL  22          HG11      VAL  22   7.938  10.476  -7.031
  173   HG12  VAL  22          HG12      VAL  22   9.437  11.429  -6.895
  174   HG13  VAL  22          HG13      VAL  22   7.868  12.230  -6.722
  175   HG21  VAL  22          HG21      VAL  22   8.798   9.644  -9.248
  176   HG22  VAL  22          HG22      VAL  22   9.277  10.796 -10.522
  177   HG23  VAL  22          HG23      VAL  22  10.245  10.645  -9.051
  178    H    LEU  23           H        LEU  23   4.827  11.679  -7.826
  179    HA   LEU  23           HA       LEU  23   4.434  14.642  -7.808
  180    HB2  LEU  23           HB2      LEU  23   2.422  13.394  -8.108
  181    HB3  LEU  23           HB3      LEU  23   2.810  12.299  -6.773
  182    HG   LEU  23           HG       LEU  23   2.617  14.195  -5.137
  183   HD11  LEU  23          HD11      LEU  23   1.355  16.228  -5.890
  184   HD12  LEU  23          HD12      LEU  23   3.016  16.154  -6.477
  185   HD13  LEU  23          HD13      LEU  23   1.673  15.763  -7.577
  186   HD21  LEU  23          HD21      LEU  23   0.067  13.933  -6.712
  187   HD22  LEU  23          HD22      LEU  23   0.716  12.640  -5.652
  188   HD23  LEU  23          HD23      LEU  23   0.286  14.216  -4.978
  189    H    GLU  24           H        GLU  24   5.526  15.772  -6.274
  190    HA   GLU  24           HA       GLU  24   6.381  14.504  -3.756
  191    HB2  GLU  24           HB2      GLU  24   7.217  16.742  -5.407
  192    HB3  GLU  24           HB3      GLU  24   6.693  17.403  -3.865
  193    HG2  GLU  24           HG2      GLU  24   8.568  15.038  -4.123
  194    HG3  GLU  24           HG3      GLU  24   9.121  16.709  -4.089
  195    H    LYS  25           H        LYS  25   4.832  14.237  -2.229
  196    HA   LYS  25           HA       LYS  25   2.219  15.421  -2.651
  197    HB2  LYS  25           HB2      LYS  25   3.357  13.767  -0.383
  198    HB3  LYS  25           HB3      LYS  25   1.662  14.240  -0.518
  199    HG2  LYS  25           HG2      LYS  25   1.361  13.003  -2.572
  200    HG3  LYS  25           HG3      LYS  25   3.098  12.644  -2.692
  201    HD2  LYS  25           HD2      LYS  25   3.039  11.344  -0.648
  202    HD3  LYS  25           HD3      LYS  25   1.325  11.756  -0.385
  203    HE2  LYS  25           HE2      LYS  25   0.717  10.581  -2.493
  204    HE3  LYS  25           HE3      LYS  25   2.418  10.192  -2.777
  205    HZ1  LYS  25           HZ1      LYS  25   2.353   8.869  -0.667
  206    HZ2  LYS  25           HZ2      LYS  25   0.744   9.152  -0.532
  207    HZ3  LYS  25           HZ3      LYS  25   1.351   8.296  -1.802
  208    H    ASP  26           H        ASP  26   5.021  16.262  -0.629
  209    HA   ASP  26           HA       ASP  26   3.627  17.820   1.303
  210    HB2  ASP  26           HB2      ASP  26   5.917  17.057   1.656
  211    HB3  ASP  26           HB3      ASP  26   6.485  18.029   0.291
  212    H    ALA  27           H        ALA  27   5.176  18.663  -1.810
  213    HA   ALA  27           HA       ALA  27   4.284  21.433  -1.624
  214    HB1  ALA  27           HB1      ALA  27   6.609  20.905  -2.264
  215    HB2  ALA  27           HB2      ALA  27   6.019  20.008  -3.686
  216    HB3  ALA  27           HB3      ALA  27   5.756  21.760  -3.560
  217    H    MET  28           H        MET  28   3.163  18.488  -3.048
  218    HA   MET  28           HA       MET  28   1.787  17.893  -4.630
  219    HB2  MET  28           HB2      MET  28   0.398  20.512  -4.040
  220    HB3  MET  28           HB3      MET  28  -0.215  19.337  -5.201
  221    HG2  MET  28           HG2      MET  28   0.319  18.800  -2.267
  222    HG3  MET  28           HG3      MET  28  -1.262  19.061  -2.990
  223    HE1  MET  28           HE1      MET  28  -1.198  17.275  -5.697
  224    HE2  MET  28           HE2      MET  28  -1.855  15.756  -5.050
  225    HE3  MET  28           HE3      MET  28  -2.538  17.312  -4.530
  226    H    ASP  29           H        ASP  29   4.151  18.463  -5.495
  227    HA   ASP  29           HA       ASP  29   3.856  20.092  -7.961
  228    HB2  ASP  29           HB2      ASP  29   5.469  20.985  -6.159
  229    HB3  ASP  29           HB3      ASP  29   6.480  19.571  -6.529
  230    H    VAL  30           H        VAL  30   4.708  19.113  -9.867
  231    HA   VAL  30           HA       VAL  30   5.147  16.196  -9.544
  232    HB   VAL  30           HB       VAL  30   2.953  16.950 -10.508
  233   HG11  VAL  30          HG11      VAL  30   2.752  17.478 -12.837
  234   HG12  VAL  30          HG12      VAL  30   3.775  18.712 -12.069
  235   HG13  VAL  30          HG13      VAL  30   4.506  17.437 -13.065
  236   HG21  VAL  30          HG21      VAL  30   2.974  15.090 -12.154
  237   HG22  VAL  30          HG22      VAL  30   4.751  15.063 -12.080
  238   HG23  VAL  30          HG23      VAL  30   3.791  14.663 -10.638
  239    H    TRP  31           H        TRP  31   7.123  15.602  -9.885
  240    HA   TRP  31           HA       TRP  31   8.946  17.042 -11.674
  241    HB2  TRP  31           HB2      TRP  31   9.406  14.381 -10.269
  242    HB3  TRP  31           HB3      TRP  31  10.588  15.544 -10.815
  243    HD1  TRP  31           HD1      TRP  31   8.582  14.520  -7.801
  244    HE1  TRP  31           HE1      TRP  31   9.228  15.929  -5.797
  245    HE3  TRP  31           HE3      TRP  31  11.111  18.171 -10.213
  246    HZ2  TRP  31           HZ2      TRP  31  10.782  18.325  -5.250
  247    HZ3  TRP  31           HZ3      TRP  31  12.275  19.990  -8.927
  248    HH2  TRP  31           HH2      TRP  31  12.087  20.077  -6.454
  249    H    CYS  32           H        CYS  32   8.501  16.593 -13.880
  250    HA   CYS  32           HA       CYS  32   7.851  13.757 -14.598
  251    HB2  CYS  32           HB2      CYS  32   7.320  16.352 -16.075
  252    HB3  CYS  32           HB3      CYS  32   6.956  14.719 -16.687
  253    HG   CYS  32           HG       CYS  32   4.697  15.727 -15.896
  254    H    ASN  33           H        ASN  33   9.579  12.676 -15.336
  255    HA   ASN  33           HA       ASN  33  11.788  12.258 -15.608
  256    HB2  ASN  33           HB2      ASN  33  11.220  14.090 -17.944
  257    HB3  ASN  33           HB3      ASN  33  12.816  13.386 -17.705
  258   HD21  ASN  33          HD22      ASN  33  11.948  12.574 -20.000
  259   HD22  ASN  33          HD21      ASN  33  11.312  10.947 -19.924
  260    H    GLY  34           H        GLY  34  11.397  13.881 -13.491
  261    HA2  GLY  34           HA2      GLY  34  12.731  14.896 -11.939
  262    HA3  GLY  34           HA3      GLY  34  14.031  14.975 -13.133
  263    H    LYS  35           H        LYS  35  11.629  16.560 -14.776
  264    HA   LYS  35           HA       LYS  35  12.563  19.211 -13.794
  265    HB2  LYS  35           HB2      LYS  35  11.141  18.361 -16.354
  266    HB3  LYS  35           HB3      LYS  35  11.556  20.025 -15.935
  267    HG2  LYS  35           HG2      LYS  35  13.963  19.418 -15.860
  268    HG3  LYS  35           HG3      LYS  35  13.559  17.748 -16.308
  269    HD2  LYS  35           HD2      LYS  35  12.530  18.570 -18.416
  270    HD3  LYS  35           HD3      LYS  35  12.997  20.226 -18.015
  271    HE2  LYS  35           HE2      LYS  35  14.938  17.887 -18.375
  272    HE3  LYS  35           HE3      LYS  35  14.510  19.037 -19.643
  273    HZ1  LYS  35           HZ1      LYS  35  15.457  20.818 -18.275
  274    HZ2  LYS  35           HZ2      LYS  35  15.899  19.747 -17.115
  275    HZ3  LYS  35           HZ3      LYS  35  16.569  19.671 -18.600
  276    H    LYS  36           H        LYS  36  11.089  20.713 -12.888
  277    HA   LYS  36           HA       LYS  36   8.446  19.768 -12.173
  278    HB2  LYS  36           HB2      LYS  36   9.603  22.579 -12.123
  279    HB3  LYS  36           HB3      LYS  36   8.116  22.068 -11.318
  280    HG2  LYS  36           HG2      LYS  36   9.221  21.040  -9.572
  281    HG3  LYS  36           HG3      LYS  36  10.582  20.550 -10.562
  282    HD2  LYS  36           HD2      LYS  36  11.348  22.205  -8.985
  283    HD3  LYS  36           HD3      LYS  36  11.477  22.767 -10.648
  284    HE2  LYS  36           HE2      LYS  36  10.710  24.638  -9.412
  285    HE3  LYS  36           HE3      LYS  36   9.294  24.058 -10.286
  286    HZ1  LYS  36           HZ1      LYS  36   8.773  24.557  -7.982
  287    HZ2  LYS  36           HZ2      LYS  36   8.578  22.947  -8.207
  288    HZ3  LYS  36           HZ3      LYS  36   9.902  23.520  -7.427
  289    H    LEU  37           H        LEU  37   6.482  20.289 -13.290
  290    HA   LEU  37           HA       LEU  37   6.614  22.289 -15.406
  291    HB2  LEU  37           HB2      LEU  37   5.335  20.964 -16.977
  292    HB3  LEU  37           HB3      LEU  37   6.954  20.366 -16.627
  293    HG   LEU  37           HG       LEU  37   5.986  18.673 -15.118
  294   HD11  LEU  37          HD11      LEU  37   3.584  17.991 -15.507
  295   HD12  LEU  37          HD12      LEU  37   3.759  19.493 -14.612
  296   HD13  LEU  37          HD13      LEU  37   3.327  19.544 -16.333
  297   HD21  LEU  37          HD21      LEU  37   6.723  18.129 -17.365
  298   HD22  LEU  37          HD22      LEU  37   5.235  17.222 -17.062
  299   HD23  LEU  37          HD23      LEU  37   5.179  18.681 -18.064
  300    H    GLU  38           H        GLU  38   4.324  22.888 -16.114
  301    HA   GLU  38           HA       GLU  38   3.166  23.862 -13.717
  302    HB2  GLU  38           HB2      GLU  38   1.655  25.103 -15.122
  303    HB3  GLU  38           HB3      GLU  38   3.310  25.222 -15.712
  304    HG2  GLU  38           HG2      GLU  38   2.770  23.500 -17.464
  305    HG3  GLU  38           HG3      GLU  38   1.098  23.484 -16.893
  306    H    THR  39           H        THR  39   1.183  23.537 -12.791
  307    HA   THR  39           HA       THR  39  -0.506  21.235 -13.626
  308    HB   THR  39           HB       THR  39  -0.723  20.861 -11.107
  309    HG1  THR  39           HG1      THR  39   0.601  22.525 -10.300
  310   HG21  THR  39          HG21      THR  39   1.141  19.211 -11.155
  311   HG22  THR  39          HG22      THR  39   0.195  19.219 -12.656
  312   HG23  THR  39          HG23      THR  39   1.784  20.009 -12.610
  313    H    ALA  40           H        ALA  40  -2.665  21.470 -13.110
  314    HA   ALA  40           HA       ALA  40  -3.572  24.046 -11.889
  315    HB1  ALA  40           HB1      ALA  40  -4.933  22.439 -14.102
  316    HB2  ALA  40           HB2      ALA  40  -5.619  23.847 -13.267
  317    HB3  ALA  40           HB3      ALA  40  -4.176  24.042 -14.291
  318    H    GLY  41           H        GLY  41  -5.266  23.691 -10.278
  319    HA2  GLY  41           HA2      GLY  41  -5.554  20.832  -9.440
  320    HA3  GLY  41           HA3      GLY  41  -5.293  22.173  -8.317
  321    H    GLU  42           H        GLU  42  -7.625  20.354  -9.981
  322    HA   GLU  42           HA       GLU  42  -9.709  22.365  -9.400
  323    HB2  GLU  42           HB2      GLU  42  -9.574  20.155 -11.450
  324    HB3  GLU  42           HB3      GLU  42 -11.143  20.566 -10.735
  325    HG2  GLU  42           HG2      GLU  42 -10.803  22.944 -11.287
  326    HG3  GLU  42           HG3      GLU  42  -9.259  22.553 -12.068
  327    H    PHE  43           H        PHE  43 -11.526  21.674  -8.194
  328    HA   PHE  43           HA       PHE  43 -10.959  19.346  -6.395
  329    HB2  PHE  43           HB2      PHE  43 -12.105  22.058  -5.655
  330    HB3  PHE  43           HB3      PHE  43 -11.986  20.669  -4.588
  331    HD1  PHE  43           HD1      PHE  43  -9.812  19.928  -3.671
  332    HD2  PHE  43           HD2      PHE  43 -10.075  23.344  -6.297
  333    HE1  PHE  43           HE1      PHE  43  -7.539  20.636  -2.987
  334    HE2  PHE  43           HE2      PHE  43  -7.787  24.027  -5.630
  335    HZ   PHE  43           HZ       PHE  43  -6.514  22.680  -3.967
  336    H    VAL  44           H        VAL  44 -12.598  17.936  -6.171
  337    HA   VAL  44           HA       VAL  44 -15.332  18.695  -7.008
  338    HB   VAL  44           HB       VAL  44 -15.407  16.165  -7.621
  339   HG11  VAL  44          HG11      VAL  44 -15.782  17.975  -9.160
  340   HG12  VAL  44          HG12      VAL  44 -14.026  18.192  -9.404
  341   HG13  VAL  44          HG13      VAL  44 -14.837  16.697  -9.945
  342   HG21  VAL  44          HG21      VAL  44 -13.429  15.148  -8.509
  343   HG22  VAL  44          HG22      VAL  44 -12.438  16.555  -8.091
  344   HG23  VAL  44          HG23      VAL  44 -13.168  15.556  -6.804
  345    H    ASP  45           H        ASP  45 -16.941  17.141  -6.137
  346    HA   ASP  45           HA       ASP  45 -16.610  16.882  -3.264
  347    HB2  ASP  45           HB2      ASP  45 -18.684  17.759  -4.203
  348    HB3  ASP  45           HB3      ASP  45 -18.973  16.229  -5.038
  349    H    ASP  46           H        ASP  46 -14.751  15.419  -4.219
  350    HA   ASP  46           HA       ASP  46 -15.274  12.588  -3.713
  351    HB2  ASP  46           HB2      ASP  46 -15.978  12.713  -6.045
  352    HB3  ASP  46           HB3      ASP  46 -14.552  13.654  -6.473
  353    H    GLY  47           H        GLY  47 -13.058  15.250  -4.744
  354    HA2  GLY  47           HA2      GLY  47 -10.957  14.792  -3.041
  355    HA3  GLY  47           HA3      GLY  47 -10.683  13.710  -4.417
  356    H    THR  48           H        THR  48  -8.885  14.856  -5.171
  357    HA   THR  48           HA       THR  48  -9.451  17.514  -6.375
  358    HB   THR  48           HB       THR  48  -6.715  16.698  -5.429
  359    HG1  THR  48           HG1      THR  48  -8.009  16.695  -3.558
  360   HG21  THR  48          HG21      THR  48  -6.336  19.147  -5.297
  361   HG22  THR  48          HG22      THR  48  -6.741  18.616  -6.932
  362   HG23  THR  48          HG23      THR  48  -7.969  19.418  -5.932
  363    H    GLU  49           H        GLU  49  -8.431  17.848  -8.379
  364    HA   GLU  49           HA       GLU  49  -7.206  15.513  -9.704
  365    HB2  GLU  49           HB2      GLU  49  -9.245  17.435 -10.877
  366    HB3  GLU  49           HB3      GLU  49  -8.316  16.241 -11.803
  367    HG2  GLU  49           HG2      GLU  49  -9.338  14.407 -10.570
  368    HG3  GLU  49           HG3      GLU  49 -10.223  15.529  -9.533
  369    H    THR  50           H        THR  50  -5.104  16.086  -9.932
  370    HA   THR  50           HA       THR  50  -4.362  18.933 -10.380
  371    HB   THR  50           HB       THR  50  -2.694  16.459  -9.819
  372    HG1  THR  50           HG1      THR  50  -3.894  17.243  -8.016
  373   HG21  THR  50          HG21      THR  50  -1.800  19.359  -9.986
  374   HG22  THR  50          HG22      THR  50  -0.792  17.951  -9.554
  375   HG23  THR  50          HG23      THR  50  -1.432  18.108 -11.192
  376    H    HIS  51           H        HIS  51  -4.637  19.413 -12.577
  377    HA   HIS  51           HA       HIS  51  -4.312  17.280 -14.602
  378    HB2  HIS  51           HB2      HIS  51  -5.375  20.124 -14.784
  379    HB3  HIS  51           HB3      HIS  51  -5.246  19.009 -16.143
  380    HD1  HIS  51           HD1      HIS  51  -7.114  17.108 -16.331
  381    HD2  HIS  51           HD2      HIS  51  -7.366  19.648 -12.975
  382    HE1  HIS  51           HE1      HIS  51  -9.384  16.666 -15.264
  383    H    PHE  52           H        PHE  52  -2.840  17.369 -16.288
  384    HA   PHE  52           HA       PHE  52  -1.304  19.702 -16.954
  385    HB2  PHE  52           HB2      PHE  52   0.933  18.604 -16.676
  386    HB3  PHE  52           HB3      PHE  52   0.155  19.077 -15.196
  387    HD1  PHE  52           HD1      PHE  52  -0.903  17.378 -13.686
  388    HD2  PHE  52           HD2      PHE  52   1.609  16.281 -17.020
  389    HE1  PHE  52           HE1      PHE  52  -0.454  15.209 -12.620
  390    HE2  PHE  52           HE2      PHE  52   2.056  14.077 -15.913
  391    HZ   PHE  52           HZ       PHE  52   1.058  13.560 -13.720
  392    H    SER  53           H        SER  53   0.524  18.528 -18.697
  393    HA   SER  53           HA       SER  53  -0.803  16.449 -20.247
  394    HB2  SER  53           HB2      SER  53  -0.210  19.148 -21.524
  395    HB3  SER  53           HB3      SER  53  -0.808  17.692 -22.340
  396    HG   SER  53           HG       SER  53  -2.474  19.260 -21.835
  397    H    ILE  54           H        ILE  54   0.621  15.452 -21.727
  398    HA   ILE  54           HA       ILE  54   3.465  16.264 -21.745
  399    HB   ILE  54           HB       ILE  54   2.426  13.519 -20.904
  400   HG12  ILE  54          HG12      ILE  54   4.161  15.510 -19.363
  401   HG13  ILE  54          HG13      ILE  54   2.436  15.285 -19.095
  402   HG21  ILE  54          HG21      ILE  54   5.322  14.425 -21.306
  403   HG22  ILE  54          HG22      ILE  54   4.786  12.812 -20.795
  404   HG23  ILE  54          HG23      ILE  54   4.426  13.365 -22.418
  405   HD11  ILE  54          HD11      ILE  54   3.661  14.153 -17.418
  406   HD12  ILE  54          HD12      ILE  54   2.746  12.990 -18.397
  407   HD13  ILE  54          HD13      ILE  54   4.518  13.158 -18.606
  408    H    GLY  55           H        GLY  55   3.993  16.318 -23.881
  409    HA2  GLY  55           HA2      GLY  55   3.764  16.092 -26.165
  410    HA3  GLY  55           HA3      GLY  55   3.171  14.445 -25.873
  411    H    ASN  56           H        ASN  56   1.327  14.337 -27.085
  412    HA   ASN  56           HA       ASN  56  -0.624  16.516 -27.155
  413    HB2  ASN  56           HB2      ASN  56  -0.043  15.144 -29.153
  414    HB3  ASN  56           HB3      ASN  56  -0.677  13.710 -28.343
  415   HD21  ASN  56          HD22      ASN  56  -1.696  17.061 -29.342
  416   HD22  ASN  56          HD21      ASN  56  -3.335  16.599 -29.733
  417    H    HIS  57           H        HIS  57  -0.006  14.192 -24.783
  418    HA   HIS  57           HA       HIS  57  -2.820  13.298 -24.474
  419    HB2  HIS  57           HB2      HIS  57  -0.292  12.358 -23.070
  420    HB3  HIS  57           HB3      HIS  57  -1.899  11.665 -22.910
  421    HD1  HIS  57           HD1      HIS  57  -2.495   9.762 -24.675
  422    HD2  HIS  57           HD2      HIS  57   0.923  12.056 -25.567
  423    HE1  HIS  57           HE1      HIS  57  -1.345   8.613 -26.630
  424    H    ASP  58           H        ASP  58  -4.068  14.025 -22.748
  425    HA   ASP  58           HA       ASP  58  -2.804  15.898 -20.838
  426    HB2  ASP  58           HB2      ASP  58  -4.801  16.628 -20.168
  427    HB3  ASP  58           HB3      ASP  58  -5.139  16.314 -21.867
  428    H    CYS  59           H        CYS  59  -2.917  15.502 -18.586
  429    HA   CYS  59           HA       CYS  59  -3.217  12.695 -17.716
  430    HB2  CYS  59           HB2      CYS  59  -0.948  14.426 -16.739
  431    HB3  CYS  59           HB3      CYS  59  -1.161  12.677 -16.592
  432    HG   CYS  59           HG       CYS  59  -0.612  14.510 -19.258
  433    H    TYR  60           H        TYR  60  -3.855  12.611 -15.440
  434    HA   TYR  60           HA       TYR  60  -3.634  15.084 -14.009
  435    HB2  TYR  60           HB2      TYR  60  -5.896  15.313 -13.261
  436    HB3  TYR  60           HB3      TYR  60  -5.817  15.396 -15.010
  437    HD1  TYR  60           HD1      TYR  60  -6.667  13.014 -12.221
  438    HD2  TYR  60           HD2      TYR  60  -7.260  14.145 -16.334
  439    HE1  TYR  60           HE1      TYR  60  -8.546  11.416 -12.387
  440    HE2  TYR  60           HE2      TYR  60  -9.252  12.679 -16.461
  441    HH   TYR  60           HH       TYR  60 -10.596  11.112 -15.327
  442    H    ILE  61           H        ILE  61  -3.343  14.780 -11.793
  443    HA   ILE  61           HA       ILE  61  -3.276  11.920 -10.957
  444    HB   ILE  61           HB       ILE  61  -2.224  14.375  -9.544
  445   HG12  ILE  61          HG12      ILE  61  -0.579  12.000 -10.489
  446   HG13  ILE  61          HG13      ILE  61  -0.996  13.254 -11.644
  447   HG21  ILE  61          HG21      ILE  61  -2.206  11.430  -8.723
  448   HG22  ILE  61          HG22      ILE  61  -1.259  12.687  -7.927
  449   HG23  ILE  61          HG23      ILE  61  -3.019  12.770  -7.877
  450   HD11  ILE  61          HD11      ILE  61   1.193  13.689 -10.650
  451   HD12  ILE  61          HD12      ILE  61   0.045  14.986 -10.233
  452   HD13  ILE  61          HD13      ILE  61   0.462  13.747  -9.034
  453    H    LYS  62           H        LYS  62  -5.068  11.136 -10.073
  454    HA   LYS  62           HA       LYS  62  -7.191  12.944  -9.061
  455    HB2  LYS  62           HB2      LYS  62  -7.432  10.759 -10.604
  456    HB3  LYS  62           HB3      LYS  62  -7.322   9.907  -9.069
  457    HG2  LYS  62           HG2      LYS  62  -9.276  11.228  -8.236
  458    HG3  LYS  62           HG3      LYS  62  -9.329  12.098  -9.779
  459    HD2  LYS  62           HD2      LYS  62  -9.727   9.947 -10.991
  460    HD3  LYS  62           HD3      LYS  62  -9.714   9.090  -9.434
  461    HE2  LYS  62           HE2      LYS  62 -11.640  10.456  -8.653
  462    HE3  LYS  62           HE3      LYS  62 -11.647  11.342 -10.181
  463    HZ1  LYS  62           HZ1      LYS  62 -12.179   8.426  -9.905
  464    HZ2  LYS  62           HZ2      LYS  62 -13.306   9.575 -10.157
  465    HZ3  LYS  62           HZ3      LYS  62 -12.201   9.261 -11.318
  466    H    ALA  63           H        ALA  63  -7.164  13.379  -6.910
  467    HA   ALA  63           HA       ALA  63  -5.642  11.600  -5.076
  468    HB1  ALA  63           HB1      ALA  63  -5.166  13.600  -3.764
  469    HB2  ALA  63           HB2      ALA  63  -4.524  13.775  -5.407
  470    HB3  ALA  63           HB3      ALA  63  -6.027  14.614  -4.939
  471    H    VAL  64           H        VAL  64  -7.409  10.354  -4.531
  472    HA   VAL  64           HA       VAL  64 -10.032  11.564  -4.264
  473    HB   VAL  64           HB       VAL  64  -9.454   8.642  -3.657
  474   HG11  VAL  64          HG11      VAL  64 -11.730   9.531  -3.380
  475   HG12  VAL  64          HG12      VAL  64 -11.746  10.058  -5.078
  476   HG13  VAL  64          HG13      VAL  64 -11.664   8.330  -4.673
  477   HG21  VAL  64          HG21      VAL  64  -9.536   9.796  -6.472
  478   HG22  VAL  64          HG22      VAL  64  -8.192   8.903  -5.703
  479   HG23  VAL  64          HG23      VAL  64  -9.699   8.072  -6.064
  480    H    SER  65           H        SER  65 -10.892  12.163  -2.226
  481    HA   SER  65           HA       SER  65  -9.394  11.525   0.185
  482    HB2  SER  65           HB2      SER  65 -11.997  13.058  -0.087
  483    HB3  SER  65           HB3      SER  65 -10.845  13.074   1.271
  484    HG   SER  65           HG       SER  65 -10.551  14.898  -0.092
  485    H    SER  66           H        SER  66  -9.896   9.134  -0.620
  486    HA   SER  66           HA       SER  66 -12.509   8.076  -0.129
  487    HB2  SER  66           HB2      SER  66  -9.784   6.748  -0.434
  488    HB3  SER  66           HB3      SER  66 -11.348   5.896  -0.443
  489    HG   SER  66           HG       SER  66 -10.816   6.309  -2.559
  490    H    GLY  67           H        GLY  67  -9.520   8.272   1.885
  491    HA2  GLY  67           HA2      GLY  67 -10.618   6.813   4.124
  492    HA3  GLY  67           HA3      GLY  67  -9.229   7.905   4.142
  493    H    LYS  68           H        LYS  68 -11.967   7.560   5.722
  494    HA   LYS  68           HA       LYS  68 -13.049  10.300   5.405
  495    HB2  LYS  68           HB2      LYS  68 -14.595   8.405   5.313
  496    HB3  LYS  68           HB3      LYS  68 -14.160   7.930   6.955
  497    HG2  LYS  68           HG2      LYS  68 -15.017  10.092   7.823
  498    HG3  LYS  68           HG3      LYS  68 -15.374  10.619   6.167
  499    HD2  LYS  68           HD2      LYS  68 -16.979   8.731   5.921
  500    HD3  LYS  68           HD3      LYS  68 -16.629   8.222   7.590
  501    HE2  LYS  68           HE2      LYS  68 -17.435  10.421   8.425
  502    HE3  LYS  68           HE3      LYS  68 -17.764  10.941   6.770
  503    HZ1  LYS  68           HZ1      LYS  68 -19.117   8.674   8.129
  504    HZ2  LYS  68           HZ2      LYS  68 -19.768  10.150   7.858
  505    HZ3  LYS  68           HZ3      LYS  68 -19.419   9.174   6.596
  506    H    ARG  69           H        ARG  69 -12.293   8.201   8.260
  507    HA   ARG  69           HA       ARG  69 -11.873  10.592   9.898
  508    HB2  ARG  69           HB2      ARG  69 -11.394   7.648  10.555
  509    HB3  ARG  69           HB3      ARG  69 -11.343   8.979  11.703
  510    HG2  ARG  69           HG2      ARG  69 -13.810   8.051  10.162
  511    HG3  ARG  69           HG3      ARG  69 -13.436   7.734  11.859
  512    HD2  ARG  69           HD2      ARG  69 -13.495  10.192  12.306
  513    HD3  ARG  69           HD3      ARG  69 -13.995  10.457  10.617
  514    HE   ARG  69           HE       ARG  69 -15.737   8.551  11.779
  515   HH11  ARG  69          HH11      ARG  69 -14.993  12.012  12.144
  516   HH12  ARG  69          HH12      ARG  69 -16.568  12.435  12.717
  517   HH21  ARG  69          HH21      ARG  69 -17.823   9.103  12.564
  518   HH22  ARG  69          HH22      ARG  69 -18.207  10.735  12.971
  519    H    LYS  70           H        LYS  70  -9.798   7.927   8.686
  520    HA   LYS  70           HA       LYS  70  -7.329   9.359   9.313
  521    HB2  LYS  70           HB2      LYS  70  -7.193   6.956   9.259
  522    HB3  LYS  70           HB3      LYS  70  -8.048   6.862   7.727
  523    HG2  LYS  70           HG2      LYS  70  -5.710   6.324   7.413
  524    HG3  LYS  70           HG3      LYS  70  -6.166   7.753   6.505
  525    HD2  LYS  70           HD2      LYS  70  -3.953   8.018   7.415
  526    HD3  LYS  70           HD3      LYS  70  -5.023   9.210   8.133
  527    HE2  LYS  70           HE2      LYS  70  -5.239   7.808  10.189
  528    HE3  LYS  70           HE3      LYS  70  -4.249   6.547   9.442
  529    HZ1  LYS  70           HZ1      LYS  70  -3.292   9.280  10.116
  530    HZ2  LYS  70           HZ2      LYS  70  -2.952   7.916  10.944
  531    HZ3  LYS  70           HZ3      LYS  70  -2.380   8.103   9.430
  532    H    GLU  71           H        GLU  71  -6.220  10.715   7.904
  533    HA   GLU  71           HA       GLU  71  -7.465  11.551   5.465
  534    HB2  GLU  71           HB2      GLU  71  -4.836  12.326   6.770
  535    HB3  GLU  71           HB3      GLU  71  -5.463  13.056   5.280
  536    HG2  GLU  71           HG2      GLU  71  -7.489  13.807   6.476
  537    HG3  GLU  71           HG3      GLU  71  -6.873  13.113   7.978
  538    H    GLY  72           H        GLY  72  -7.512   9.239   4.785
  539    HA2  GLY  72           HA2      GLY  72  -5.048   8.244   3.464
  540    HA3  GLY  72           HA3      GLY  72  -6.596   7.399   3.633
  541    H    ILE  73           H        ILE  73  -5.082  10.260   2.049
  542    HA   ILE  73           HA       ILE  73  -7.193  10.351   0.032
  543    HB   ILE  73           HB       ILE  73  -4.636  11.944   0.373
  544   HG12  ILE  73          HG12      ILE  73  -6.146  13.862   0.657
  545   HG13  ILE  73          HG13      ILE  73  -7.559  12.835   0.464
  546   HG21  ILE  73          HG21      ILE  73  -5.143  11.672  -2.057
  547   HG22  ILE  73          HG22      ILE  73  -6.799  12.235  -1.762
  548   HG23  ILE  73          HG23      ILE  73  -5.422  13.329  -1.506
  549   HD11  ILE  73          HD11      ILE  73  -5.594  12.581   2.749
  550   HD12  ILE  73          HD12      ILE  73  -7.078  13.564   2.800
  551   HD13  ILE  73          HD13      ILE  73  -7.210  11.818   2.599
  552    H    ILE  74           H        ILE  74  -7.090   9.089  -1.835
  553    HA   ILE  74           HA       ILE  74  -4.751   7.298  -2.163
  554    HB   ILE  74           HB       ILE  74  -7.522   7.281  -3.405
  555   HG12  ILE  74          HG12      ILE  74  -7.595   6.759  -1.027
  556   HG13  ILE  74          HG13      ILE  74  -7.988   5.356  -2.006
  557   HG21  ILE  74          HG21      ILE  74  -5.237   5.286  -3.713
  558   HG22  ILE  74          HG22      ILE  74  -6.918   4.989  -4.200
  559   HG23  ILE  74          HG23      ILE  74  -5.997   6.270  -4.985
  560   HD11  ILE  74          HD11      ILE  74  -5.704   4.434  -1.576
  561   HD12  ILE  74          HD12      ILE  74  -5.350   5.853  -0.556
  562   HD13  ILE  74          HD13      ILE  74  -6.626   4.721  -0.092
  563    H    HIS  75           H        HIS  75  -3.198   7.939  -3.600
  564    HA   HIS  75           HA       HIS  75  -3.894  10.061  -5.578
  565    HB2  HIS  75           HB2      HIS  75  -1.244   9.153  -4.399
  566    HB3  HIS  75           HB3      HIS  75  -1.396  10.267  -5.763
  567    HD1  HIS  75           HD1      HIS  75  -2.296  10.161  -1.972
  568    HD2  HIS  75           HD2      HIS  75  -2.034  12.769  -5.273
  569    HE1  HIS  75           HE1      HIS  75  -2.489  12.523  -1.051
  570    H    THR  76           H        THR  76  -4.209   9.442  -7.634
  571    HA   THR  76           HA       THR  76  -2.753   7.074  -8.676
  572    HB   THR  76           HB       THR  76  -5.596   7.730  -9.547
  573    HG1  THR  76           HG1      THR  76  -5.870   7.232  -7.382
  574   HG21  THR  76          HG21      THR  76  -4.422   6.329 -11.040
  575   HG22  THR  76          HG22      THR  76  -3.775   5.303  -9.733
  576   HG23  THR  76          HG23      THR  76  -5.509   5.280 -10.094
  577    H    LEU  77           H        LEU  77  -1.994   7.387 -10.858
  578    HA   LEU  77           HA       LEU  77  -2.408  10.122 -11.933
  579    HB2  LEU  77           HB2      LEU  77  -0.087   9.393 -11.866
  580    HB3  LEU  77           HB3      LEU  77  -0.508   7.896 -12.702
  581    HG   LEU  77           HG       LEU  77  -1.239   9.295 -14.688
  582   HD11  LEU  77          HD11      LEU  77  -1.587  11.474 -13.622
  583   HD12  LEU  77          HD12      LEU  77   0.109  11.500 -13.072
  584   HD13  LEU  77          HD13      LEU  77  -0.280  11.609 -14.799
  585   HD21  LEU  77          HD21      LEU  77   1.648   9.552 -13.791
  586   HD22  LEU  77          HD22      LEU  77   0.920   8.147 -14.618
  587   HD23  LEU  77          HD23      LEU  77   1.058   9.697 -15.466
  588    H    ILE  78           H        ILE  78  -3.805  10.404 -13.575
  589    HA   ILE  78           HA       ILE  78  -4.747   8.053 -15.067
  590    HB   ILE  78           HB       ILE  78  -6.101  10.580 -14.156
  591   HG12  ILE  78          HG12      ILE  78  -8.055   9.083 -13.867
  592   HG13  ILE  78          HG13      ILE  78  -7.115   7.718 -14.471
  593   HG21  ILE  78          HG21      ILE  78  -7.902  10.144 -15.883
  594   HG22  ILE  78          HG22      ILE  78  -6.419  10.936 -16.422
  595   HG23  ILE  78          HG23      ILE  78  -6.704   9.192 -16.770
  596   HD11  ILE  78          HD11      ILE  78  -7.380   7.882 -11.978
  597   HD12  ILE  78          HD12      ILE  78  -5.708   7.758 -12.540
  598   HD13  ILE  78          HD13      ILE  78  -6.359   9.348 -12.029
  599    H    VAL  79           H        VAL  79  -4.417   8.226 -17.366
  600    HA   VAL  79           HA       VAL  79  -3.446  10.760 -18.463
  601    HB   VAL  79           HB       VAL  79  -2.077   8.102 -18.974
  602   HG11  VAL  79          HG11      VAL  79  -0.416   9.480 -20.239
  603   HG12  VAL  79          HG12      VAL  79  -2.023   9.554 -20.954
  604   HG13  VAL  79          HG13      VAL  79  -1.432  10.916 -19.979
  605   HG21  VAL  79          HG21      VAL  79  -1.171  10.497 -17.336
  606   HG22  VAL  79          HG22      VAL  79  -1.424   8.820 -16.799
  607   HG23  VAL  79          HG23      VAL  79  -0.078   9.218 -17.875
  608    H    ASP  80           H        ASP  80  -4.452  11.186 -20.390
  609    HA   ASP  80           HA       ASP  80  -6.132  11.051 -21.878
  610    HB2  ASP  80           HB2      ASP  80  -4.301   9.918 -23.064
  611    HB3  ASP  80           HB3      ASP  80  -4.896   8.355 -22.505
  612    H    ASN  81           H        ASN  81  -6.960  10.443 -19.340
  613    HA   ASN  81           HA       ASN  81  -8.624   9.710 -18.091
  614    HB2  ASN  81           HB2      ASN  81  -9.966  10.525 -20.068
  615    HB3  ASN  81           HB3      ASN  81 -10.129   8.833 -20.545
  616   HD21  ASN  81          HD22      ASN  81 -12.398   8.622 -20.164
  617   HD22  ASN  81          HD21      ASN  81 -13.111   8.812 -18.580
  618    H    ARG  82           H        ARG  82  -6.541   7.546 -19.287
  619    HA   ARG  82           HA       ARG  82  -7.908   5.158 -18.223
  620    HB2  ARG  82           HB2      ARG  82  -5.312   5.608 -19.784
  621    HB3  ARG  82           HB3      ARG  82  -5.645   4.121 -18.906
  622    HG2  ARG  82           HG2      ARG  82  -6.341   3.693 -21.075
  623    HG3  ARG  82           HG3      ARG  82  -7.809   3.936 -20.091
  624    HD2  ARG  82           HD2      ARG  82  -8.163   6.110 -21.066
  625    HD3  ARG  82           HD3      ARG  82  -6.601   6.047 -21.917
  626    HE   ARG  82           HE       ARG  82  -8.051   3.823 -22.778
  627   HH11  ARG  82          HH11      ARG  82  -8.418   7.352 -22.894
  628   HH12  ARG  82          HH12      ARG  82  -9.439   7.347 -24.298
  629   HH21  ARG  82          HH21      ARG  82  -9.378   3.808 -24.673
  630   HH22  ARG  82          HH22      ARG  82  -9.989   5.280 -25.333
  631    H    GLU  83           H        GLU  83  -6.938   4.012 -16.501
  632    HA   GLU  83           HA       GLU  83  -5.725   5.848 -14.567
  633    HB2  GLU  83           HB2      GLU  83  -7.810   4.857 -13.949
  634    HB3  GLU  83           HB3      GLU  83  -7.189   3.215 -14.241
  635    HG2  GLU  83           HG2      GLU  83  -5.536   3.556 -12.400
  636    HG3  GLU  83           HG3      GLU  83  -6.188   5.189 -12.182
  637    H    ILE  84           H        ILE  84  -3.736   5.596 -13.694
  638    HA   ILE  84           HA       ILE  84  -2.027   3.383 -14.657
  639    HB   ILE  84           HB       ILE  84  -1.235   6.261 -14.087
  640   HG12  ILE  84          HG12      ILE  84  -2.720   6.361 -15.978
  641   HG13  ILE  84          HG13      ILE  84  -1.065   6.673 -16.421
  642   HG21  ILE  84          HG21      ILE  84   0.823   5.698 -15.272
  643   HG22  ILE  84          HG22      ILE  84   0.599   4.694 -13.840
  644   HG23  ILE  84          HG23      ILE  84   0.284   4.005 -15.437
  645   HD11  ILE  84          HD11      ILE  84  -0.852   4.444 -17.441
  646   HD12  ILE  84          HD12      ILE  84  -2.486   4.020 -16.889
  647   HD13  ILE  84          HD13      ILE  84  -2.265   5.298 -18.099
  648    HA   PRO  85           HA       PRO  85  -1.741   2.993 -10.104
  649    HB2  PRO  85           HB2      PRO  85  -0.480   0.573  -9.982
  650    HB3  PRO  85           HB3      PRO  85  -2.223   0.744 -10.349
  651    HG2  PRO  85           HG2      PRO  85   0.075   0.406 -12.304
  652    HG3  PRO  85           HG3      PRO  85  -1.482  -0.474 -12.271
  653    HD2  PRO  85           HD2      PRO  85  -1.051   1.676 -13.903
  654    HD3  PRO  85           HD3      PRO  85  -2.655   1.386 -13.160
  655    H    GLU  86           H        GLU  86  -0.010   3.226  -8.572
  656    HA   GLU  86           HA       GLU  86   2.313   4.578  -9.592
  657    HB2  GLU  86           HB2      GLU  86   2.728   5.213  -7.432
  658    HB3  GLU  86           HB3      GLU  86   0.979   5.172  -7.515
  659    HG2  GLU  86           HG2      GLU  86   2.838   3.095  -6.294
  660    HG3  GLU  86           HG3      GLU  86   1.846   4.246  -5.407
  661    H    ILE  87           H        ILE  87   4.515   4.021  -8.700
  662    HA   ILE  87           HA       ILE  87   5.095   1.145  -8.536
  663    HB   ILE  87           HB       ILE  87   7.161   1.721  -9.805
  664   HG12  ILE  87          HG12      ILE  87   5.748   4.161 -10.874
  665   HG13  ILE  87          HG13      ILE  87   6.995   4.220  -9.631
  666   HG21  ILE  87          HG21      ILE  87   5.225   0.477 -10.771
  667   HG22  ILE  87          HG22      ILE  87   4.649   2.012 -11.480
  668   HG23  ILE  87          HG23      ILE  87   6.208   1.310 -11.973
  669   HD11  ILE  87          HD11      ILE  87   8.003   4.634 -11.850
  670   HD12  ILE  87          HD12      ILE  87   8.601   3.107 -11.197
  671   HD13  ILE  87          HD13      ILE  87   7.362   3.126 -12.470
  672    H    ALA  88           H        ALA  88   7.160   0.725  -7.560
  673    HA   ALA  88           HA       ALA  88   8.498   2.905  -6.111
  674    HB1  ALA  88           HB1      ALA  88   8.799   1.417  -4.163
  675    HB2  ALA  88           HB2      ALA  88   7.085   1.842  -4.394
  676    HB3  ALA  88           HB3      ALA  88   7.690   0.235  -4.877
  677    H    SER  89           H        SER  89  10.372   2.865  -7.239
  678    HA   SER  89           HA       SER  89  11.551   0.798  -8.607
  679    HB2  SER  89           HB2      SER  89  13.091   2.833  -6.949
  680    HB3  SER  89           HB3      SER  89  13.616   2.080  -8.457
  681    HG   SER  89           HG       SER  89  12.730   4.339  -8.529
  Start of MODEL   10
    1    H1   GLU   1           H1       GLU   1  18.281  16.299  10.346
    2    H2   GLU   1           H2       GLU   1  19.353  15.908  11.529
    3    H3   GLU   1           H3       GLU   1  19.821  16.835  10.267
    4    HA   GLU   1           HA       GLU   1  20.678  14.619  10.032
    5    HB2  GLU   1           HB2      GLU   1  17.754  13.782   9.906
    6    HB3  GLU   1           HB3      GLU   1  19.129  12.768   9.477
    7    HG2  GLU   1           HG2      GLU   1  18.500  13.883  12.241
    8    HG3  GLU   1           HG3      GLU   1  18.306  12.223  11.701
    9    H    ASP   2           H        ASP   2  17.607  15.027   8.135
   10    HA   ASP   2           HA       ASP   2  19.059  16.238   5.893
   11    HB2  ASP   2           HB2      ASP   2  19.246  13.676   5.664
   12    HB3  ASP   2           HB3      ASP   2  17.479  13.673   5.528
   13    H    ARG   3           H        ARG   3  17.342  16.713   4.138
   14    HA   ARG   3           HA       ARG   3  14.858  17.668   5.417
   15    HB2  ARG   3           HB2      ARG   3  16.016  17.930   2.611
   16    HB3  ARG   3           HB3      ARG   3  14.333  18.313   2.947
   17    HG2  ARG   3           HG2      ARG   3  15.608  20.343   2.945
   18    HG3  ARG   3           HG3      ARG   3  14.984  20.042   4.564
   19    HD2  ARG   3           HD2      ARG   3  17.224  19.291   5.314
   20    HD3  ARG   3           HD3      ARG   3  17.826  19.413   3.659
   21    HE   ARG   3           HE       ARG   3  17.982  21.694   3.811
   22   HH11  ARG   3          HH21      ARG   3  16.294  20.535   6.737
   23   HH12  ARG   3          HH22      ARG   3  16.412  22.047   7.561
   24   HH21  ARG   3          HH11      ARG   3  18.126  23.689   4.916
   25   HH22  ARG   3          HH12      ARG   3  17.472  23.875   6.503
   26    H    SER   4           H        SER   4  12.809  16.836   5.000
   27    HA   SER   4           HA       SER   4  12.667  14.034   4.409
   28    HB2  SER   4           HB2      SER   4  10.413  16.072   4.653
   29    HB3  SER   4           HB3      SER   4  10.287  14.312   4.835
   30    HG   SER   4           HG       SER   4  10.413  15.388   6.873
   31    H    LYS   5           H        LYS   5  11.415  13.030   2.708
   32    HA   LYS   5           HA       LYS   5  10.528  14.663   0.434
   33    HB2  LYS   5           HB2      LYS   5  12.881  13.952  -0.136
   34    HB3  LYS   5           HB3      LYS   5  12.390  12.267   0.093
   35    HG2  LYS   5           HG2      LYS   5  10.687  12.569  -1.750
   36    HG3  LYS   5           HG3      LYS   5  11.242  14.232  -1.949
   37    HD2  LYS   5           HD2      LYS   5  12.244  12.931  -3.670
   38    HD3  LYS   5           HD3      LYS   5  13.529  13.346  -2.524
   39    HE2  LYS   5           HE2      LYS   5  13.296  11.073  -1.482
   40    HE3  LYS   5           HE3      LYS   5  12.012  10.689  -2.633
   41    HZ1  LYS   5           HZ1      LYS   5  14.151   9.801  -3.344
   42    HZ2  LYS   5           HZ2      LYS   5  13.643  10.911  -4.429
   43    HZ3  LYS   5           HZ3      LYS   5  14.832  11.283  -3.364
   44    H    THR   6           H        THR   6   8.622  13.820  -0.356
   45    HA   THR   6           HA       THR   6   7.728  11.102   0.518
   46    HB   THR   6           HB       THR   6   6.005  13.586   0.852
   47    HG1  THR   6           HG1      THR   6   6.571  13.660   3.005
   48   HG21  THR   6          HG21      THR   6   5.001  11.256   0.768
   49   HG22  THR   6          HG22      THR   6   5.931  10.847   2.217
   50   HG23  THR   6          HG23      THR   6   4.688  12.117   2.286
   51    H    THR   7           H        THR   7   7.979  10.383  -1.621
   52    HA   THR   7           HA       THR   7   6.383  11.872  -3.633
   53    HB   THR   7           HB       THR   7   8.338  11.166  -5.188
   54    HG1  THR   7           HG1      THR   7   9.558   9.899  -3.774
   55   HG21  THR   7          HG21      THR   7   7.815  13.506  -4.564
   56   HG22  THR   7          HG22      THR   7   8.755  13.319  -3.072
   57   HG23  THR   7          HG23      THR   7   9.562  13.232  -4.650
   58    H    ASN   8           H        ASN   8   5.463  10.874  -5.276
   59    HA   ASN   8           HA       ASN   8   5.537   7.875  -5.553
   60    HB2  ASN   8           HB2      ASN   8   3.333   8.807  -4.631
   61    HB3  ASN   8           HB3      ASN   8   3.152   9.631  -6.195
   62   HD21  ASN   8          HD22      ASN   8   1.279   7.669  -5.245
   63   HD22  ASN   8          HD21      ASN   8   1.395   6.286  -6.298
   64    H    THR   9           H        THR   9   5.860   7.272  -7.688
   65    HA   THR   9           HA       THR   9   6.531   9.477  -9.544
   66    HB   THR   9           HB       THR   9   8.423   7.227  -8.807
   67    HG1  THR   9           HG1      THR   9   9.619   8.781  -7.851
   68   HG21  THR   9          HG21      THR   9  10.042   8.399 -10.304
   69   HG22  THR   9          HG22      THR   9   8.701   7.614 -11.154
   70   HG23  THR   9          HG23      THR   9   8.693   9.359 -10.948
   71    H    TRP  10           H        TRP  10   6.302   9.030 -11.654
   72    HA   TRP  10           HA       TRP  10   5.485   6.332 -12.561
   73    HB2  TRP  10           HB2      TRP  10   4.005   8.935 -13.163
   74    HB3  TRP  10           HB3      TRP  10   3.639   7.359 -13.845
   75    HD1  TRP  10           HD1      TRP  10   2.440   5.624 -12.240
   76    HE1  TRP  10           HE1      TRP  10   1.003   5.875 -10.149
   77    HE3  TRP  10           HE3      TRP  10   3.811  10.344 -10.986
   78    HZ2  TRP  10           HZ2      TRP  10   0.342   8.029  -8.271
   79    HZ3  TRP  10           HZ3      TRP  10   2.690  11.539  -9.156
   80    HH2  TRP  10           HH2      TRP  10   0.938  10.400  -7.775
   81    H    VAL  11           H        VAL  11   5.851   6.144 -14.881
   82    HA   VAL  11           HA       VAL  11   7.249   8.375 -16.162
   83    HB   VAL  11           HB       VAL  11   8.948   6.783 -15.441
   84   HG11  VAL  11          HG11      VAL  11   7.608   4.719 -17.231
   85   HG12  VAL  11          HG12      VAL  11   9.137   4.532 -16.350
   86   HG13  VAL  11          HG13      VAL  11   7.618   4.693 -15.454
   87   HG21  VAL  11          HG21      VAL  11   8.624   6.773 -18.475
   88   HG22  VAL  11          HG22      VAL  11   9.327   8.087 -17.509
   89   HG23  VAL  11          HG23      VAL  11  10.124   6.512 -17.563
   90    H    LEU  12           H        LEU  12   6.661   8.772 -18.268
   91    HA   LEU  12           HA       LEU  12   4.564   7.058 -19.461
   92    HB2  LEU  12           HB2      LEU  12   4.222   9.588 -18.245
   93    HB3  LEU  12           HB3      LEU  12   4.438   9.997 -19.933
   94    HG   LEU  12           HG       LEU  12   2.113   9.787 -19.414
   95   HD11  LEU  12          HD11      LEU  12   2.916   9.022 -21.653
   96   HD12  LEU  12          HD12      LEU  12   2.878   7.347 -21.062
   97   HD13  LEU  12          HD13      LEU  12   1.379   8.289 -21.148
   98   HD21  LEU  12          HD21      LEU  12   1.090   7.704 -18.629
   99   HD22  LEU  12          HD22      LEU  12   2.669   6.904 -18.565
  100   HD23  LEU  12          HD23      LEU  12   2.336   8.259 -17.480
  101    H    HIS  13           H        HIS  13   4.968   6.549 -21.558
  102    HA   HIS  13           HA       HIS  13   7.183   7.837 -22.947
  103    HB2  HIS  13           HB2      HIS  13   7.090   5.452 -23.221
  104    HB3  HIS  13           HB3      HIS  13   5.375   5.503 -23.631
  105    HD1  HIS  13           HD1      HIS  13   4.820   5.674 -26.185
  106    HD2  HIS  13           HD2      HIS  13   8.771   6.736 -25.165
  107    HE1  HIS  13           HE1      HIS  13   6.042   6.094 -28.373
  108    H    MET  14           H        MET  14   6.875   9.492 -24.403
  109    HA   MET  14           HA       MET  14   4.357   9.741 -25.842
  110    HB2  MET  14           HB2      MET  14   5.576  12.047 -24.268
  111    HB3  MET  14           HB3      MET  14   4.269  12.202 -25.447
  112    HG2  MET  14           HG2      MET  14   2.823  10.840 -24.012
  113    HG3  MET  14           HG3      MET  14   4.130  10.701 -22.822
  114    HE1  MET  14           HE1      MET  14   1.226  11.680 -22.314
  115    HE2  MET  14           HE2      MET  14   2.443  11.584 -21.008
  116    HE3  MET  14           HE3      MET  14   1.459  13.056 -21.201
  117    H    ASP  15           H        ASP  15   4.859  10.103 -27.934
  118    HA   ASP  15           HA       ASP  15   6.049  10.458 -29.812
  119    HB2  ASP  15           HB2      ASP  15   5.116  12.633 -29.143
  120    HB3  ASP  15           HB3      ASP  15   6.648  13.053 -28.373
  121    H    GLY  16           H        GLY  16   7.585   8.748 -28.344
  122    HA2  GLY  16           HA2      GLY  16   9.618   7.765 -28.759
  123    HA3  GLY  16           HA3      GLY  16  10.155   9.215 -29.612
  124    H    GLU  17           H        GLU  17   9.005  10.127 -26.527
  125    HA   GLU  17           HA       GLU  17  11.629   9.808 -25.244
  126    HB2  GLU  17           HB2      GLU  17   9.787  12.234 -25.258
  127    HB3  GLU  17           HB3      GLU  17  10.976  11.945 -23.982
  128    HG2  GLU  17           HG2      GLU  17  12.787  11.803 -25.648
  129    HG3  GLU  17           HG3      GLU  17  11.643  12.142 -26.948
  130    H    ASN  18           H        ASN  18  11.506   9.771 -22.875
  131    HA   ASN  18           HA       ASN  18   8.931   8.772 -21.818
  132    HB2  ASN  18           HB2      ASN  18  11.701   7.670 -21.375
  133    HB3  ASN  18           HB3      ASN  18  10.532   7.646 -20.064
  134   HD21  ASN  18          HD22      ASN  18  11.247   6.301 -23.280
  135   HD22  ASN  18          HD21      ASN  18  10.014   5.069 -23.218
  136    H    PHE  19           H        PHE  19   8.109  10.096 -20.375
  137    HA   PHE  19           HA       PHE  19   9.894  12.139 -19.109
  138    HB2  PHE  19           HB2      PHE  19   6.885  12.177 -19.521
  139    HB3  PHE  19           HB3      PHE  19   7.867  13.482 -18.873
  140    HD1  PHE  19           HD1      PHE  19  10.184  13.455 -20.865
  141    HD2  PHE  19           HD2      PHE  19   5.915  13.120 -21.448
  142    HE1  PHE  19           HE1      PHE  19  10.420  14.393 -23.133
  143    HE2  PHE  19           HE2      PHE  19   6.166  14.134 -23.704
  144    HZ   PHE  19           HZ       PHE  19   8.423  14.703 -24.574
  145    H    ARG  20           H        ARG  20  10.225  11.972 -16.928
  146    HA   ARG  20           HA       ARG  20   8.600  10.094 -15.376
  147    HB2  ARG  20           HB2      ARG  20  11.016  11.785 -14.669
  148    HB3  ARG  20           HB3      ARG  20  10.027  10.964 -13.456
  149    HG2  ARG  20           HG2      ARG  20  10.387   8.956 -15.345
  150    HG3  ARG  20           HG3      ARG  20  11.942   9.805 -15.404
  151    HD2  ARG  20           HD2      ARG  20  12.007   9.570 -12.855
  152    HD3  ARG  20           HD3      ARG  20  10.502   8.656 -12.991
  153    HE   ARG  20           HE       ARG  20  11.615   6.819 -13.825
  154   HH11  ARG  20          HH11      ARG  20  13.944   9.508 -13.637
  155   HH12  ARG  20          HH12      ARG  20  15.323   8.506 -13.915
  156   HH21  ARG  20          HH21      ARG  20  13.460   5.497 -14.195
  157   HH22  ARG  20          HH22      ARG  20  15.038   6.188 -14.229
  158    H    ILE  21           H        ILE  21   7.330  10.625 -13.727
  159    HA   ILE  21           HA       ILE  21   6.406  13.408 -13.429
  160    HB   ILE  21           HB       ILE  21   4.759  10.895 -13.222
  161   HG12  ILE  21          HG12      ILE  21   5.266  11.409 -15.519
  162   HG13  ILE  21          HG13      ILE  21   3.553  11.529 -15.172
  163   HG21  ILE  21          HG21      ILE  21   2.823  12.245 -12.787
  164   HG22  ILE  21          HG22      ILE  21   4.033  12.590 -11.546
  165   HG23  ILE  21          HG23      ILE  21   3.791  13.749 -12.874
  166   HD11  ILE  21          HD11      ILE  21   4.381  13.243 -16.730
  167   HD12  ILE  21          HD12      ILE  21   3.666  13.955 -15.272
  168   HD13  ILE  21          HD13      ILE  21   5.443  13.897 -15.477
  169    H    VAL  22           H        VAL  22   6.746  13.974 -11.195
  170    HA   VAL  22           HA       VAL  22   6.659  11.785  -9.256
  171    HB   VAL  22           HB       VAL  22   8.674  14.054  -9.163
  172   HG11  VAL  22          HG11      VAL  22   7.927  13.303  -6.926
  173   HG12  VAL  22          HG12      VAL  22   8.271  11.617  -7.384
  174   HG13  VAL  22          HG13      VAL  22   9.594  12.792  -7.228
  175   HG21  VAL  22          HG21      VAL  22   9.130  11.102  -9.707
  176   HG22  VAL  22          HG22      VAL  22   9.352  12.429 -10.880
  177   HG23  VAL  22          HG23      VAL  22  10.404  12.307  -9.466
  178    H    LEU  23           H        LEU  23   4.998  12.168  -7.980
  179    HA   LEU  23           HA       LEU  23   3.941  14.930  -7.577
  180    HB2  LEU  23           HB2      LEU  23   2.242  13.304  -7.932
  181    HB3  LEU  23           HB3      LEU  23   3.038  12.129  -6.881
  182    HG   LEU  23           HG       LEU  23   2.539  13.595  -4.878
  183   HD11  LEU  23          HD11      LEU  23   2.195  15.764  -5.915
  184   HD12  LEU  23          HD12      LEU  23   0.836  15.141  -6.878
  185   HD13  LEU  23          HD13      LEU  23   0.712  15.249  -5.109
  186   HD21  LEU  23          HD21      LEU  23   0.168  12.937  -4.752
  187   HD22  LEU  23          HD22      LEU  23   0.224  12.514  -6.486
  188   HD23  LEU  23          HD23      LEU  23   1.227  11.637  -5.313
  189    H    GLU  24           H        GLU  24   4.850  16.097  -5.925
  190    HA   GLU  24           HA       GLU  24   6.127  14.733  -3.663
  191    HB2  GLU  24           HB2      GLU  24   6.403  17.281  -4.978
  192    HB3  GLU  24           HB3      GLU  24   5.755  17.633  -3.380
  193    HG2  GLU  24           HG2      GLU  24   8.119  15.866  -4.040
  194    HG3  GLU  24           HG3      GLU  24   8.242  17.530  -3.455
  195    H    LYS  25           H        LYS  25   4.831  13.968  -2.144
  196    HA   LYS  25           HA       LYS  25   1.991  14.297  -2.340
  197    HB2  LYS  25           HB2      LYS  25   3.765  12.855  -0.379
  198    HB3  LYS  25           HB3      LYS  25   1.995  12.797  -0.325
  199    HG2  LYS  25           HG2      LYS  25   1.839  11.806  -2.513
  200    HG3  LYS  25           HG3      LYS  25   3.547  12.098  -2.863
  201    HD2  LYS  25           HD2      LYS  25   3.198   9.784  -2.391
  202    HD3  LYS  25           HD3      LYS  25   4.237  10.523  -1.156
  203    HE2  LYS  25           HE2      LYS  25   2.278  10.635   0.404
  204    HE3  LYS  25           HE3      LYS  25   1.221   9.993  -0.854
  205    HZ1  LYS  25           HZ1      LYS  25   3.482   8.498   0.395
  206    HZ2  LYS  25           HZ2      LYS  25   1.903   8.282   0.726
  207    HZ3  LYS  25           HZ3      LYS  25   2.474   7.899  -0.754
  208    H    ASP  26           H        ASP  26   4.467  15.745  -0.206
  209    HA   ASP  26           HA       ASP  26   2.625  16.556   1.840
  210    HB2  ASP  26           HB2      ASP  26   5.022  16.326   2.286
  211    HB3  ASP  26           HB3      ASP  26   5.378  17.634   1.136
  212    H    ALA  27           H        ALA  27   4.162  18.244  -0.922
  213    HA   ALA  27           HA       ALA  27   2.649  20.669  -0.470
  214    HB1  ALA  27           HB1      ALA  27   4.563  19.874  -2.708
  215    HB2  ALA  27           HB2      ALA  27   3.974  21.512  -2.362
  216    HB3  ALA  27           HB3      ALA  27   5.019  20.683  -1.187
  217    H    MET  28           H        MET  28   2.191  17.771  -2.323
  218    HA   MET  28           HA       MET  28   0.918  17.104  -3.973
  219    HB2  MET  28           HB2      MET  28  -1.070  19.247  -3.161
  220    HB3  MET  28           HB3      MET  28  -1.355  17.906  -4.278
  221    HG2  MET  28           HG2      MET  28  -0.549  16.376  -2.324
  222    HG3  MET  28           HG3      MET  28  -0.834  17.790  -1.308
  223    HE1  MET  28           HE1      MET  28  -3.948  15.111  -3.417
  224    HE2  MET  28           HE2      MET  28  -2.780  16.027  -4.388
  225    HE3  MET  28           HE3      MET  28  -2.211  14.805  -3.231
  226    H    ASP  29           H        ASP  29   3.061  18.441  -4.682
  227    HA   ASP  29           HA       ASP  29   2.301  20.209  -6.941
  228    HB2  ASP  29           HB2      ASP  29   3.880  21.124  -5.094
  229    HB3  ASP  29           HB3      ASP  29   5.091  20.022  -5.767
  230    H    VAL  30           H        VAL  30   3.278  19.645  -9.004
  231    HA   VAL  30           HA       VAL  30   4.245  16.844  -9.055
  232    HB   VAL  30           HB       VAL  30   1.865  17.285  -9.813
  233   HG11  VAL  30          HG11      VAL  30   2.241  19.270 -11.232
  234   HG12  VAL  30          HG12      VAL  30   3.160  18.270 -12.367
  235   HG13  VAL  30          HG13      VAL  30   1.448  17.930 -12.090
  236   HG21  VAL  30          HG21      VAL  30   2.128  15.599 -11.650
  237   HG22  VAL  30          HG22      VAL  30   3.887  15.844 -11.573
  238   HG23  VAL  30          HG23      VAL  30   3.022  15.186 -10.171
  239    H    TRP  31           H        TRP  31   6.262  16.690  -9.567
  240    HA   TRP  31           HA       TRP  31   7.658  18.648 -11.245
  241    HB2  TRP  31           HB2      TRP  31   8.729  16.011 -10.184
  242    HB3  TRP  31           HB3      TRP  31   9.608  17.455 -10.607
  243    HD1  TRP  31           HD1      TRP  31   8.059  15.657  -7.686
  244    HE1  TRP  31           HE1      TRP  31   8.506  16.906  -5.531
  245    HE3  TRP  31           HE3      TRP  31   9.612  20.038  -9.660
  246    HZ2  TRP  31           HZ2      TRP  31   9.534  19.497  -4.718
  247    HZ3  TRP  31           HZ3      TRP  31  10.444  21.889  -8.183
  248    HH2  TRP  31           HH2      TRP  31  10.376  21.626  -5.711
  249    H    CYS  32           H        CYS  32   7.165  18.342 -13.481
  250    HA   CYS  32           HA       CYS  32   7.060  15.507 -14.460
  251    HB2  CYS  32           HB2      CYS  32   5.774  17.996 -15.621
  252    HB3  CYS  32           HB3      CYS  32   5.686  16.357 -16.307
  253    HG   CYS  32           HG       CYS  32   3.376  16.884 -15.175
  254    H    ASN  33           H        ASN  33   8.718  14.963 -15.757
  255    HA   ASN  33           HA       ASN  33  10.821  15.088 -16.587
  256    HB2  ASN  33           HB2      ASN  33   9.460  15.804 -18.547
  257    HB3  ASN  33           HB3      ASN  33   9.737  17.490 -18.103
  258   HD21  ASN  33          HD22      ASN  33  11.715  14.452 -18.702
  259   HD22  ASN  33          HD21      ASN  33  12.950  15.299 -19.595
  260    H    GLY  34           H        GLY  34  10.582  16.176 -14.041
  261    HA2  GLY  34           HA2      GLY  34  12.017  17.089 -12.520
  262    HA3  GLY  34           HA3      GLY  34  13.091  17.549 -13.842
  263    H    LYS  35           H        LYS  35   9.994  18.964 -14.401
  264    HA   LYS  35           HA       LYS  35  10.793  21.484 -12.979
  265    HB2  LYS  35           HB2      LYS  35   9.449  21.175 -15.707
  266    HB3  LYS  35           HB3      LYS  35   9.762  22.701 -14.894
  267    HG2  LYS  35           HG2      LYS  35  11.903  20.770 -15.886
  268    HG3  LYS  35           HG3      LYS  35  11.346  22.220 -16.718
  269    HD2  LYS  35           HD2      LYS  35  12.154  23.624 -14.810
  270    HD3  LYS  35           HD3      LYS  35  12.705  22.165 -13.986
  271    HE2  LYS  35           HE2      LYS  35  14.623  23.127 -14.985
  272    HE3  LYS  35           HE3      LYS  35  14.245  21.665 -15.898
  273    HZ1  LYS  35           HZ1      LYS  35  13.274  23.077 -17.630
  274    HZ2  LYS  35           HZ2      LYS  35  13.567  24.434 -16.753
  275    HZ3  LYS  35           HZ3      LYS  35  14.805  23.545 -17.332
  276    H    LYS  36           H        LYS  36   9.047  22.712 -12.041
  277    HA   LYS  36           HA       LYS  36   6.625  21.239 -11.463
  278    HB2  LYS  36           HB2      LYS  36   7.290  24.188 -11.140
  279    HB3  LYS  36           HB3      LYS  36   5.864  23.398 -10.468
  280    HG2  LYS  36           HG2      LYS  36   7.013  22.376  -8.759
  281    HG3  LYS  36           HG3      LYS  36   8.472  22.165  -9.713
  282    HD2  LYS  36           HD2      LYS  36   8.931  23.742  -7.942
  283    HD3  LYS  36           HD3      LYS  36   9.059  24.481  -9.543
  284    HE2  LYS  36           HE2      LYS  36   7.987  26.118  -8.243
  285    HE3  LYS  36           HE3      LYS  36   6.672  25.391  -9.166
  286    HZ1  LYS  36           HZ1      LYS  36   6.171  24.025  -7.148
  287    HZ2  LYS  36           HZ2      LYS  36   7.344  24.828  -6.325
  288    HZ3  LYS  36           HZ3      LYS  36   6.034  25.634  -6.875
  289    H    LEU  37           H        LEU  37   4.565  21.555 -12.450
  290    HA   LEU  37           HA       LEU  37   4.300  23.646 -14.461
  291    HB2  LEU  37           HB2      LEU  37   3.172  22.228 -16.051
  292    HB3  LEU  37           HB3      LEU  37   4.877  21.869 -15.799
  293    HG   LEU  37           HG       LEU  37   4.260  19.956 -14.388
  294   HD11  LEU  37          HD11      LEU  37   1.978  20.396 -13.677
  295   HD12  LEU  37          HD12      LEU  37   1.423  20.498 -15.359
  296   HD13  LEU  37          HD13      LEU  37   1.967  18.949 -14.667
  297   HD21  LEU  37          HD21      LEU  37   4.869  19.703 -16.746
  298   HD22  LEU  37          HD22      LEU  37   3.591  18.534 -16.369
  299   HD23  LEU  37          HD23      LEU  37   3.193  20.010 -17.253
  300    H    GLU  38           H        GLU  38   1.908  23.879 -15.079
  301    HA   GLU  38           HA       GLU  38   0.652  24.524 -12.611
  302    HB2  GLU  38           HB2      GLU  38  -1.227  25.328 -14.026
  303    HB3  GLU  38           HB3      GLU  38   0.334  26.072 -14.340
  304    HG2  GLU  38           HG2      GLU  38  -0.548  23.747 -16.072
  305    HG3  GLU  38           HG3      GLU  38  -1.282  25.328 -16.298
  306    H    THR  39           H        THR  39  -1.146  23.749 -11.622
  307    HA   THR  39           HA       THR  39  -2.428  21.244 -12.542
  308    HB   THR  39           HB       THR  39  -2.272  20.654  -9.997
  309    HG1  THR  39           HG1      THR  39   0.187  22.054 -10.362
  310   HG21  THR  39          HG21      THR  39  -0.270  19.235 -10.459
  311   HG22  THR  39          HG22      THR  39  -1.475  19.199 -11.762
  312   HG23  THR  39          HG23      THR  39   0.002  20.160 -11.960
  313    H    ALA  40           H        ALA  40  -4.526  20.976 -11.692
  314    HA   ALA  40           HA       ALA  40  -5.635  23.127  -9.972
  315    HB1  ALA  40           HB1      ALA  40  -6.385  23.669 -12.272
  316    HB2  ALA  40           HB2      ALA  40  -6.995  22.005 -12.468
  317    HB3  ALA  40           HB3      ALA  40  -7.732  23.084 -11.271
  318    H    GLY  41           H        GLY  41  -7.024  22.234  -8.402
  319    HA2  GLY  41           HA2      GLY  41  -6.903  19.248  -8.179
  320    HA3  GLY  41           HA3      GLY  41  -6.963  20.402  -6.835
  321    H    GLU  42           H        GLU  42  -8.826  18.702  -9.283
  322    HA   GLU  42           HA       GLU  42 -11.257  20.215  -8.699
  323    HB2  GLU  42           HB2      GLU  42 -10.736  19.476 -11.013
  324    HB3  GLU  42           HB3      GLU  42 -10.713  17.788 -10.457
  325    HG2  GLU  42           HG2      GLU  42 -12.753  18.319 -11.622
  326    HG3  GLU  42           HG3      GLU  42 -13.065  17.852  -9.955
  327    H    PHE  43           H        PHE  43 -13.060  19.173  -7.660
  328    HA   PHE  43           HA       PHE  43 -12.289  16.862  -5.917
  329    HB2  PHE  43           HB2      PHE  43 -14.206  19.131  -5.328
  330    HB3  PHE  43           HB3      PHE  43 -14.001  17.689  -4.339
  331    HD1  PHE  43           HD1      PHE  43 -11.633  17.149  -3.417
  332    HD2  PHE  43           HD2      PHE  43 -12.755  21.018  -4.971
  333    HE1  PHE  43           HE1      PHE  43  -9.736  18.181  -2.207
  334    HE2  PHE  43           HE2      PHE  43 -10.851  22.048  -3.760
  335    HZ   PHE  43           HZ       PHE  43  -9.335  20.638  -2.377
  336    H    VAL  44           H        VAL  44 -13.556  15.073  -5.965
  337    HA   VAL  44           HA       VAL  44 -15.972  15.062  -7.658
  338    HB   VAL  44           HB       VAL  44 -14.952  12.787  -8.402
  339   HG11  VAL  44          HG11      VAL  44 -13.925  13.827 -10.354
  340   HG12  VAL  44          HG12      VAL  44 -15.426  14.643  -9.872
  341   HG13  VAL  44          HG13      VAL  44 -13.842  15.387  -9.502
  342   HG21  VAL  44          HG21      VAL  44 -13.010  12.802  -6.878
  343   HG22  VAL  44          HG22      VAL  44 -12.592  12.572  -8.578
  344   HG23  VAL  44          HG23      VAL  44 -12.305  14.148  -7.816
  345    H    ASP  45           H        ASP  45 -17.096  12.962  -7.452
  346    HA   ASP  45           HA       ASP  45 -17.555  12.353  -4.651
  347    HB2  ASP  45           HB2      ASP  45 -19.433  12.666  -6.183
  348    HB3  ASP  45           HB3      ASP  45 -18.902  11.286  -7.150
  349    H    ASP  46           H        ASP  46 -15.123  11.725  -4.975
  350    HA   ASP  46           HA       ASP  46 -14.703   8.828  -4.863
  351    HB2  ASP  46           HB2      ASP  46 -14.664   9.168  -7.277
  352    HB3  ASP  46           HB3      ASP  46 -13.639  10.583  -7.116
  353    H    GLY  47           H        GLY  47 -13.410  12.196  -4.946
  354    HA2  GLY  47           HA2      GLY  47 -11.960  12.427  -2.715
  355    HA3  GLY  47           HA3      GLY  47 -10.887  11.441  -3.735
  356    H    THR  48           H        THR  48  -9.463  12.706  -4.888
  357    HA   THR  48           HA       THR  48 -10.430  15.306  -5.944
  358    HB   THR  48           HB       THR  48  -7.615  14.924  -4.980
  359    HG1  THR  48           HG1      THR  48  -8.169  15.643  -2.942
  360   HG21  THR  48          HG21      THR  48  -9.345  17.414  -5.197
  361   HG22  THR  48          HG22      THR  48  -7.650  17.362  -4.666
  362   HG23  THR  48          HG23      THR  48  -8.065  16.926  -6.326
  363    H    GLU  49           H        GLU  49  -9.438  15.897  -7.930
  364    HA   GLU  49           HA       GLU  49  -7.713  13.912  -9.218
  365    HB2  GLU  49           HB2      GLU  49 -10.256  15.076 -10.383
  366    HB3  GLU  49           HB3      GLU  49  -8.923  14.470 -11.400
  367    HG2  GLU  49           HG2      GLU  49  -9.012  12.288 -10.330
  368    HG3  GLU  49           HG3      GLU  49 -10.259  12.829  -9.215
  369    H    THR  50           H        THR  50  -5.837  14.992  -9.278
  370    HA   THR  50           HA       THR  50  -5.836  17.931  -9.587
  371    HB   THR  50           HB       THR  50  -3.676  15.922  -8.947
  372    HG1  THR  50           HG1      THR  50  -5.013  16.476  -7.222
  373   HG21  THR  50          HG21      THR  50  -2.249  18.013  -8.535
  374   HG22  THR  50          HG22      THR  50  -2.474  17.512 -10.209
  375   HG23  THR  50          HG23      THR  50  -3.418  18.881  -9.576
  376    H    HIS  51           H        HIS  51  -6.209  18.511 -11.686
  377    HA   HIS  51           HA       HIS  51  -5.458  16.720 -13.897
  378    HB2  HIS  51           HB2      HIS  51  -7.077  19.298 -13.760
  379    HB3  HIS  51           HB3      HIS  51  -6.703  18.448 -15.255
  380    HD1  HIS  51           HD1      HIS  51  -7.963  16.075 -15.668
  381    HD2  HIS  51           HD2      HIS  51  -9.096  18.294 -12.270
  382    HE1  HIS  51           HE1      HIS  51 -10.131  15.047 -14.820
  383    H    PHE  52           H        PHE  52  -4.041  17.242 -15.547
  384    HA   PHE  52           HA       PHE  52  -2.973  19.883 -15.950
  385    HB2  PHE  52           HB2      PHE  52  -0.583  19.221 -15.783
  386    HB3  PHE  52           HB3      PHE  52  -1.406  19.328 -14.255
  387    HD1  PHE  52           HD1      PHE  52  -2.087  17.236 -13.013
  388    HD2  PHE  52           HD2      PHE  52   0.567  17.187 -16.420
  389    HE1  PHE  52           HE1      PHE  52  -1.157  15.092 -12.241
  390    HE2  PHE  52           HE2      PHE  52   1.510  15.005 -15.601
  391    HZ   PHE  52           HZ       PHE  52   0.681  13.992 -13.522
  392    H    SER  53           H        SER  53  -1.032  19.327 -17.814
  393    HA   SER  53           HA       SER  53  -1.862  17.155 -19.544
  394    HB2  SER  53           HB2      SER  53  -1.974  20.011 -20.617
  395    HB3  SER  53           HB3      SER  53  -2.239  18.515 -21.534
  396    HG   SER  53           HG       SER  53  -4.206  19.608 -20.892
  397    H    ILE  54           H        ILE  54  -0.282  16.705 -21.139
  398    HA   ILE  54           HA       ILE  54   2.259  18.217 -21.070
  399    HB   ILE  54           HB       ILE  54   1.995  15.207 -20.605
  400   HG12  ILE  54          HG12      ILE  54   3.247  17.300 -18.765
  401   HG13  ILE  54          HG13      ILE  54   1.595  16.711 -18.571
  402   HG21  ILE  54          HG21      ILE  54   4.522  16.918 -20.856
  403   HG22  ILE  54          HG22      ILE  54   4.468  15.170 -20.537
  404   HG23  ILE  54          HG23      ILE  54   3.922  15.781 -22.085
  405   HD11  ILE  54          HD11      ILE  54   3.029  15.602 -17.046
  406   HD12  ILE  54          HD12      ILE  54   2.329  14.445 -18.192
  407   HD13  ILE  54          HD13      ILE  54   4.035  14.953 -18.359
  408    H    GLY  55           H        GLY  55   2.710  18.629 -23.193
  409    HA2  GLY  55           HA2      GLY  55   2.477  18.610 -25.493
  410    HA3  GLY  55           HA3      GLY  55   2.273  16.852 -25.388
  411    H    ASN  56           H        ASN  56   0.433  16.411 -26.508
  412    HA   ASN  56           HA       ASN  56  -1.951  18.123 -26.321
  413    HB2  ASN  56           HB2      ASN  56  -1.125  17.195 -28.492
  414    HB3  ASN  56           HB3      ASN  56  -1.414  15.560 -27.888
  415   HD21  ASN  56          HD22      ASN  56  -3.179  18.722 -28.391
  416   HD22  ASN  56          HD21      ASN  56  -4.673  17.961 -28.873
  417    H    HIS  57           H        HIS  57  -0.761  15.792 -24.236
  418    HA   HIS  57           HA       HIS  57  -3.262  14.194 -24.064
  419    HB2  HIS  57           HB2      HIS  57  -0.576  13.673 -22.752
  420    HB3  HIS  57           HB3      HIS  57  -1.950  12.577 -22.850
  421    HD1  HIS  57           HD1      HIS  57  -2.490  11.710 -25.538
  422    HD2  HIS  57           HD2      HIS  57   1.183  13.581 -24.662
  423    HE1  HIS  57           HE1      HIS  57  -0.929  11.169 -27.477
  424    H    ASP  58           H        ASP  58  -4.607  14.446 -22.296
  425    HA   ASP  58           HA       ASP  58  -3.761  16.275 -20.143
  426    HB2  ASP  58           HB2      ASP  58  -5.847  16.442 -19.416
  427    HB3  ASP  58           HB3      ASP  58  -6.156  16.221 -21.133
  428    H    CYS  59           H        CYS  59  -3.733  15.612 -17.968
  429    HA   CYS  59           HA       CYS  59  -3.407  12.736 -17.392
  430    HB2  CYS  59           HB2      CYS  59  -1.546  14.790 -16.213
  431    HB3  CYS  59           HB3      CYS  59  -1.390  13.032 -16.238
  432    HG   CYS  59           HG       CYS  59  -1.256  15.191 -18.710
  433    H    TYR  60           H        TYR  60  -4.013  12.312 -15.127
  434    HA   TYR  60           HA       TYR  60  -4.320  14.644 -13.481
  435    HB2  TYR  60           HB2      TYR  60  -6.566  14.331 -12.754
  436    HB3  TYR  60           HB3      TYR  60  -6.510  14.543 -14.494
  437    HD1  TYR  60           HD1      TYR  60  -6.735  11.815 -11.899
  438    HD2  TYR  60           HD2      TYR  60  -7.746  13.128 -15.873
  439    HE1  TYR  60           HE1      TYR  60  -8.240   9.868 -12.154
  440    HE2  TYR  60           HE2      TYR  60  -9.396  11.285 -16.065
  441    HH   TYR  60           HH       TYR  60 -10.323   9.370 -15.031
  442    H    ILE  61           H        ILE  61  -3.967  14.239 -11.313
  443    HA   ILE  61           HA       ILE  61  -3.204  11.430 -10.670
  444    HB   ILE  61           HB       ILE  61  -2.768  14.064  -9.273
  445   HG12  ILE  61          HG12      ILE  61  -0.696  11.957 -10.000
  446   HG13  ILE  61          HG13      ILE  61  -1.277  13.078 -11.220
  447   HG21  ILE  61          HG21      ILE  61  -1.694  12.868  -7.427
  448   HG22  ILE  61          HG22      ILE  61  -3.375  12.407  -7.521
  449   HG23  ILE  61          HG23      ILE  61  -2.139  11.291  -8.143
  450   HD11  ILE  61          HD11      ILE  61  -0.607  15.013  -9.808
  451   HD12  ILE  61          HD12      ILE  61   0.040  13.871  -8.605
  452   HD13  ILE  61          HD13      ILE  61   0.758  13.942 -10.223
  453    H    LYS  62           H        LYS  62  -4.832  10.193  -9.990
  454    HA   LYS  62           HA       LYS  62  -7.331  11.343  -8.872
  455    HB2  LYS  62           HB2      LYS  62  -6.942   9.208 -10.507
  456    HB3  LYS  62           HB3      LYS  62  -6.684   8.379  -8.980
  457    HG2  LYS  62           HG2      LYS  62  -8.943   9.116  -8.227
  458    HG3  LYS  62           HG3      LYS  62  -9.158   9.993  -9.751
  459    HD2  LYS  62           HD2      LYS  62  -8.846   7.798 -11.005
  460    HD3  LYS  62           HD3      LYS  62  -8.770   6.984  -9.440
  461    HE2  LYS  62           HE2      LYS  62 -10.983   6.664 -10.074
  462    HE3  LYS  62           HE3      LYS  62 -11.078   8.007  -8.939
  463    HZ1  LYS  62           HZ1      LYS  62 -11.270   9.536 -10.857
  464    HZ2  LYS  62           HZ2      LYS  62 -11.101   8.285 -11.913
  465    HZ3  LYS  62           HZ3      LYS  62 -12.412   8.379 -10.944
  466    H    ALA  63           H        ALA  63  -7.450  11.624  -6.706
  467    HA   ALA  63           HA       ALA  63  -5.584  10.134  -4.956
  468    HB1  ALA  63           HB1      ALA  63  -5.535  12.126  -3.510
  469    HB2  ALA  63           HB2      ALA  63  -4.908  12.527  -5.122
  470    HB3  ALA  63           HB3      ALA  63  -6.562  13.006  -4.658
  471    H    VAL  64           H        VAL  64  -7.079   8.564  -4.552
  472    HA   VAL  64           HA       VAL  64  -9.886   9.181  -4.254
  473    HB   VAL  64           HB       VAL  64  -8.549   6.494  -3.646
  474   HG11  VAL  64          HG11      VAL  64 -11.292   7.195  -4.737
  475   HG12  VAL  64          HG12      VAL  64 -10.678   5.560  -4.407
  476   HG13  VAL  64          HG13      VAL  64 -10.914   6.700  -3.075
  477   HG21  VAL  64          HG21      VAL  64  -9.307   7.508  -6.424
  478   HG22  VAL  64          HG22      VAL  64  -7.659   7.125  -5.855
  479   HG23  VAL  64          HG23      VAL  64  -8.857   5.839  -6.015
  480    H    SER  65           H        SER  65 -10.740   9.756  -2.229
  481    HA   SER  65           HA       SER  65  -9.099   9.575   0.122
  482    HB2  SER  65           HB2      SER  65 -11.959  10.553  -0.055
  483    HB3  SER  65           HB3      SER  65 -10.739  10.902   1.199
  484    HG   SER  65           HG       SER  65 -10.821  12.630  -0.253
  485    H    SER  66           H        SER  66  -9.380   7.057  -0.693
  486    HA   SER  66           HA       SER  66 -11.334   5.461   0.620
  487    HB2  SER  66           HB2      SER  66  -8.436   5.031  -0.236
  488    HB3  SER  66           HB3      SER  66  -9.503   3.727   0.368
  489    HG   SER  66           HG       SER  66  -9.636   3.770  -1.873
  490    H    GLY  67           H        GLY  67 -11.282   4.512   2.689
  491    HA2  GLY  67           HA2      GLY  67 -10.722   4.335   4.941
  492    HA3  GLY  67           HA3      GLY  67  -9.343   5.409   4.710
  493    H    LYS  68           H        LYS  68 -11.517   7.261   3.237
  494    HA   LYS  68           HA       LYS  68 -12.641   9.103   3.716
  495    HB2  LYS  68           HB2      LYS  68 -14.059   7.295   5.696
  496    HB3  LYS  68           HB3      LYS  68 -14.612   8.906   5.201
  497    HG2  LYS  68           HG2      LYS  68 -14.684   8.141   2.827
  498    HG3  LYS  68           HG3      LYS  68 -14.187   6.518   3.344
  499    HD2  LYS  68           HD2      LYS  68 -16.222   6.346   4.759
  500    HD3  LYS  68           HD3      LYS  68 -16.720   7.970   4.236
  501    HE2  LYS  68           HE2      LYS  68 -16.783   7.189   1.877
  502    HE3  LYS  68           HE3      LYS  68 -16.290   5.570   2.392
  503    HZ1  LYS  68           HZ1      LYS  68 -18.681   5.711   2.085
  504    HZ2  LYS  68           HZ2      LYS  68 -18.359   5.406   3.658
  505    HZ3  LYS  68           HZ3      LYS  68 -18.821   6.904   3.186
  506    H    ARG  69           H        ARG  69 -12.931   8.360   7.168
  507    HA   ARG  69           HA       ARG  69 -11.762  10.946   7.821
  508    HB2  ARG  69           HB2      ARG  69 -12.487   8.582   9.619
  509    HB3  ARG  69           HB3      ARG  69 -12.058  10.192  10.177
  510    HG2  ARG  69           HG2      ARG  69 -14.525   9.492   8.524
  511    HG3  ARG  69           HG3      ARG  69 -14.474   9.804  10.261
  512    HD2  ARG  69           HD2      ARG  69 -13.665  12.116   9.807
  513    HD3  ARG  69           HD3      ARG  69 -13.819  11.812   8.064
  514    HE   ARG  69           HE       ARG  69 -16.287  11.162   9.254
  515   HH11  ARG  69          HH21      ARG  69 -14.323  14.077   8.704
  516   HH12  ARG  69          HH22      ARG  69 -15.673  15.155   8.670
  517   HH21  ARG  69          HH11      ARG  69 -18.086  12.588   9.207
  518   HH22  ARG  69          HH12      ARG  69 -17.864  14.282   8.948
  519    H    LYS  70           H        LYS  70 -10.571   7.592   7.687
  520    HA   LYS  70           HA       LYS  70  -7.991   8.332   8.889
  521    HB2  LYS  70           HB2      LYS  70  -9.018   6.083   9.182
  522    HB3  LYS  70           HB3      LYS  70  -8.849   5.761   7.460
  523    HG2  LYS  70           HG2      LYS  70  -6.408   6.556   9.076
  524    HG3  LYS  70           HG3      LYS  70  -7.083   4.937   9.269
  525    HD2  LYS  70           HD2      LYS  70  -6.823   4.513   6.830
  526    HD3  LYS  70           HD3      LYS  70  -6.153   6.130   6.628
  527    HE2  LYS  70           HE2      LYS  70  -4.303   4.631   6.687
  528    HE3  LYS  70           HE3      LYS  70  -4.281   5.558   8.187
  529    HZ1  LYS  70           HZ1      LYS  70  -5.306   2.779   7.915
  530    HZ2  LYS  70           HZ2      LYS  70  -3.859   3.191   8.542
  531    HZ3  LYS  70           HZ3      LYS  70  -5.223   3.618   9.323
  532    H    GLU  71           H        GLU  71  -6.155   8.836   7.677
  533    HA   GLU  71           HA       GLU  71  -6.699   9.837   5.034
  534    HB2  GLU  71           HB2      GLU  71  -4.255  10.039   6.821
  535    HB3  GLU  71           HB3      GLU  71  -4.423  10.843   5.250
  536    HG2  GLU  71           HG2      GLU  71  -6.439  12.039   6.075
  537    HG3  GLU  71           HG3      GLU  71  -6.236  11.284   7.657
  538    H    GLY  72           H        GLY  72  -7.100   7.425   4.447
  539    HA2  GLY  72           HA2      GLY  72  -4.653   5.971   3.610
  540    HA3  GLY  72           HA3      GLY  72  -6.320   5.378   3.602
  541    H    ILE  73           H        ILE  73  -5.063   8.471   2.268
  542    HA   ILE  73           HA       ILE  73  -6.821   8.280   0.048
  543    HB   ILE  73           HB       ILE  73  -4.477  10.144   0.550
  544   HG12  ILE  73          HG12      ILE  73  -6.110  11.878   1.001
  545   HG13  ILE  73          HG13      ILE  73  -7.458  10.810   0.640
  546   HG21  ILE  73          HG21      ILE  73  -6.633  10.348  -1.596
  547   HG22  ILE  73          HG22      ILE  73  -5.391  11.565  -1.236
  548   HG23  ILE  73          HG23      ILE  73  -4.917  10.001  -1.898
  549   HD11  ILE  73          HD11      ILE  73  -7.120   9.587   2.668
  550   HD12  ILE  73          HD12      ILE  73  -5.578  10.466   2.965
  551   HD13  ILE  73          HD13      ILE  73  -7.143  11.318   3.026
  552    H    ILE  74           H        ILE  74  -6.481   7.198  -1.904
  553    HA   ILE  74           HA       ILE  74  -3.844   5.907  -2.357
  554    HB   ILE  74           HB       ILE  74  -6.531   5.437  -3.677
  555   HG12  ILE  74          HG12      ILE  74  -6.536   4.692  -1.374
  556   HG13  ILE  74          HG13      ILE  74  -6.591   3.328  -2.481
  557   HG21  ILE  74          HG21      ILE  74  -5.446   3.403  -4.643
  558   HG22  ILE  74          HG22      ILE  74  -4.802   4.916  -5.284
  559   HG23  ILE  74          HG23      ILE  74  -3.869   4.007  -4.078
  560   HD11  ILE  74          HD11      ILE  74  -4.165   2.891  -2.020
  561   HD12  ILE  74          HD12      ILE  74  -4.161   4.261  -0.878
  562   HD13  ILE  74          HD13      ILE  74  -5.163   2.843  -0.558
  563    H    HIS  75           H        HIS  75  -2.442   7.016  -3.649
  564    HA   HIS  75           HA       HIS  75  -3.524   9.061  -5.519
  565    HB2  HIS  75           HB2      HIS  75  -0.739   8.619  -4.403
  566    HB3  HIS  75           HB3      HIS  75  -1.141   9.798  -5.649
  567    HD1  HIS  75           HD1      HIS  75  -1.753   9.194  -1.873
  568    HD2  HIS  75           HD2      HIS  75  -2.365  12.040  -4.919
  569    HE1  HIS  75           HE1      HIS  75  -2.445  11.355  -0.721
  570    H    THR  76           H        THR  76  -3.618   8.590  -7.645
  571    HA   THR  76           HA       THR  76  -1.726   6.614  -8.791
  572    HB   THR  76           HB       THR  76  -4.624   6.763  -9.705
  573    HG1  THR  76           HG1      THR  76  -4.834   6.063  -7.593
  574   HG21  THR  76          HG21      THR  76  -2.380   4.740 -10.016
  575   HG22  THR  76          HG22      THR  76  -4.072   4.421 -10.431
  576   HG23  THR  76          HG23      THR  76  -3.189   5.720 -11.271
  577    H    LEU  77           H        LEU  77  -1.077   7.172 -10.975
  578    HA   LEU  77           HA       LEU  77  -1.967   9.860 -11.864
  579    HB2  LEU  77           HB2      LEU  77   0.441   9.556 -11.834
  580    HB3  LEU  77           HB3      LEU  77   0.294   8.061 -12.769
  581    HG   LEU  77           HG       LEU  77  -0.701   9.428 -14.652
  582   HD11  LEU  77          HD11      LEU  77  -1.469  11.423 -13.461
  583   HD12  LEU  77          HD12      LEU  77   0.181  11.751 -12.885
  584   HD13  LEU  77          HD13      LEU  77  -0.220  11.892 -14.612
  585   HD21  LEU  77          HD21      LEU  77   1.460  10.343 -15.397
  586   HD22  LEU  77          HD22      LEU  77   2.091  10.164 -13.739
  587   HD23  LEU  77          HD23      LEU  77   1.634   8.731 -14.688
  588    H    ILE  78           H        ILE  78  -3.421  10.008 -13.467
  589    HA   ILE  78           HA       ILE  78  -3.910   7.666 -15.178
  590    HB   ILE  78           HB       ILE  78  -5.722   9.782 -14.034
  591   HG12  ILE  78          HG12      ILE  78  -7.338   7.931 -13.862
  592   HG13  ILE  78          HG13      ILE  78  -6.199   6.827 -14.632
  593   HG21  ILE  78          HG21      ILE  78  -7.435   9.150 -15.802
  594   HG22  ILE  78          HG22      ILE  78  -6.140  10.253 -16.276
  595   HG23  ILE  78          HG23      ILE  78  -6.085   8.522 -16.760
  596   HD11  ILE  78          HD11      ILE  78  -4.769   6.870 -12.732
  597   HD12  ILE  78          HD12      ILE  78  -5.596   8.299 -12.049
  598   HD13  ILE  78          HD13      ILE  78  -6.410   6.708 -12.104
  599    H    VAL  79           H        VAL  79  -3.674   8.122 -17.452
  600    HA   VAL  79           HA       VAL  79  -3.224  10.881 -18.297
  601    HB   VAL  79           HB       VAL  79  -1.374   8.606 -19.053
  602   HG11  VAL  79          HG11      VAL  79  -1.635  10.225 -20.889
  603   HG12  VAL  79          HG12      VAL  79  -1.300  11.573 -19.782
  604   HG13  VAL  79          HG13      VAL  79  -0.034  10.393 -20.173
  605   HG21  VAL  79          HG21      VAL  79  -0.859   9.240 -16.804
  606   HG22  VAL  79          HG22      VAL  79   0.391   9.940 -17.834
  607   HG23  VAL  79          HG23      VAL  79  -0.901  10.970 -17.205
  608    H    ASP  80           H        ASP  80  -4.296  11.276 -20.214
  609    HA   ASP  80           HA       ASP  80  -5.930  10.937 -21.737
  610    HB2  ASP  80           HB2      ASP  80  -3.905  10.241 -22.971
  611    HB3  ASP  80           HB3      ASP  80  -4.217   8.562 -22.530
  612    H    ASN  81           H        ASN  81  -6.606   9.996 -19.246
  613    HA   ASN  81           HA       ASN  81  -8.075   8.869 -18.061
  614    HB2  ASN  81           HB2      ASN  81  -9.587   9.572 -19.954
  615    HB3  ASN  81           HB3      ASN  81  -9.442   7.923 -20.571
  616   HD21  ASN  81          HD22      ASN  81 -11.625   7.259 -20.187
  617   HD22  ASN  81          HD21      ASN  81 -12.324   7.191 -18.588
  618    H    ARG  82           H        ARG  82  -5.653   7.227 -19.438
  619    HA   ARG  82           HA       ARG  82  -6.550   4.550 -18.590
  620    HB2  ARG  82           HB2      ARG  82  -4.095   5.608 -20.086
  621    HB3  ARG  82           HB3      ARG  82  -4.133   4.013 -19.339
  622    HG2  ARG  82           HG2      ARG  82  -4.757   3.652 -21.545
  623    HG3  ARG  82           HG3      ARG  82  -6.231   3.521 -20.548
  624    HD2  ARG  82           HD2      ARG  82  -7.011   5.665 -21.326
  625    HD3  ARG  82           HD3      ARG  82  -5.476   5.973 -22.183
  626    HE   ARG  82           HE       ARG  82  -6.486   3.594 -23.228
  627   HH11  ARG  82          HH11      ARG  82  -7.528   6.982 -23.039
  628   HH12  ARG  82          HH12      ARG  82  -8.531   6.908 -24.454
  629   HH21  ARG  82          HH21      ARG  82  -7.803   3.484 -25.127
  630   HH22  ARG  82          HH22      ARG  82  -8.686   4.864 -25.668
  631    H    GLU  83           H        GLU  83  -5.449   3.464 -16.943
  632    HA   GLU  83           HA       GLU  83  -4.514   5.273 -14.846
  633    HB2  GLU  83           HB2      GLU  83  -6.339   3.805 -14.314
  634    HB3  GLU  83           HB3      GLU  83  -5.397   2.374 -14.791
  635    HG2  GLU  83           HG2      GLU  83  -3.790   2.850 -12.942
  636    HG3  GLU  83           HG3      GLU  83  -4.741   4.288 -12.537
  637    H    ILE  84           H        ILE  84  -2.456   5.338 -14.075
  638    HA   ILE  84           HA       ILE  84  -0.428   3.580 -15.320
  639    HB   ILE  84           HB       ILE  84  -0.153   6.471 -14.407
  640   HG12  ILE  84          HG12      ILE  84  -1.655   6.531 -16.285
  641   HG13  ILE  84          HG13      ILE  84  -0.076   7.152 -16.704
  642   HG21  ILE  84          HG21      ILE  84   1.726   4.704 -16.012
  643   HG22  ILE  84          HG22      ILE  84   1.942   6.440 -15.654
  644   HG23  ILE  84          HG23      ILE  84   1.943   5.259 -14.343
  645   HD11  ILE  84          HD11      ILE  84  -1.094   4.380 -17.456
  646   HD12  ILE  84          HD12      ILE  84  -1.058   5.798 -18.513
  647   HD13  ILE  84          HD13      ILE  84   0.466   5.090 -17.940
  648    HA   PRO  85           HA       PRO  85   0.103   2.710 -10.853
  649    HB2  PRO  85           HB2      PRO  85   1.630   0.466 -11.038
  650    HB3  PRO  85           HB3      PRO  85  -0.127   0.464 -11.400
  651    HG2  PRO  85           HG2      PRO  85   2.183   0.655 -13.366
  652    HG3  PRO  85           HG3      PRO  85   0.747  -0.412 -13.445
  653    HD2  PRO  85           HD2      PRO  85   0.903   1.983 -14.787
  654    HD3  PRO  85           HD3      PRO  85  -0.650   1.357 -14.132
  655    H    GLU  86           H        GLU  86   1.928   2.853  -9.362
  656    HA   GLU  86           HA       GLU  86   3.932   4.734 -10.052
  657    HB2  GLU  86           HB2      GLU  86   4.657   4.635  -7.930
  658    HB3  GLU  86           HB3      GLU  86   2.945   4.211  -7.781
  659    HG2  GLU  86           HG2      GLU  86   3.763   1.752  -7.760
  660    HG3  GLU  86           HG3      GLU  86   5.394   2.445  -7.626
  661    H    ILE  87           H        ILE  87   6.289   4.347  -9.857
  662    HA   ILE  87           HA       ILE  87   7.177   2.471 -11.812
  663    HB   ILE  87           HB       ILE  87   9.483   3.244 -11.018
  664   HG12  ILE  87          HG12      ILE  87   8.019   5.297  -9.413
  665   HG13  ILE  87          HG13      ILE  87   8.673   3.841  -8.676
  666   HG21  ILE  87          HG21      ILE  87   8.265   4.189 -12.935
  667   HG22  ILE  87          HG22      ILE  87   7.509   5.382 -11.859
  668   HG23  ILE  87          HG23      ILE  87   9.271   5.391 -12.132
  669   HD11  ILE  87          HD11      ILE  87  10.341   5.901 -10.171
  670   HD12  ILE  87          HD12      ILE  87  10.262   5.665  -8.415
  671   HD13  ILE  87          HD13      ILE  87  10.945   4.395  -9.450
  672    H    ALA  88           H        ALA  88   8.587   0.699 -11.667
  673    HA   ALA  88           HA       ALA  88   8.492  -0.808  -9.134
  674    HB1  ALA  88           HB1      ALA  88   9.509  -2.608 -10.445
  675    HB2  ALA  88           HB2      ALA  88   7.971  -2.067 -11.160
  676    HB3  ALA  88           HB3      ALA  88   9.522  -1.575 -11.892
  677    H    SER  89           H        SER  89   9.838   0.400  -7.852
  678    HA   SER  89           HA       SER  89  12.432   1.333  -8.604
  679    HB2  SER  89           HB2      SER  89  11.418   0.658  -5.812
  680    HB3  SER  89           HB3      SER  89  12.759   1.733  -6.220
  681    HG   SER  89           HG       SER  89  10.768   2.885  -5.782
  Start of MODEL   11
    1    H1   GLU   1           H1       GLU   1  16.919   5.846  10.945
    2    H2   GLU   1           H2       GLU   1  16.124   5.155   9.681
    3    H3   GLU   1           H3       GLU   1  16.408   6.763   9.677
    4    HA   GLU   1           HA       GLU   1  14.662   5.326  11.548
    5    HB2  GLU   1           HB2      GLU   1  15.808   7.302  12.546
    6    HB3  GLU   1           HB3      GLU   1  15.133   8.329  11.285
    7    HG2  GLU   1           HG2      GLU   1  13.900   8.536  13.390
    8    HG3  GLU   1           HG3      GLU   1  12.862   7.934  12.113
    9    H    ASP   2           H        ASP   2  12.365   5.638  11.180
   10    HA   ASP   2           HA       ASP   2  11.644   5.519   8.377
   11    HB2  ASP   2           HB2      ASP   2  10.476   4.173  10.039
   12    HB3  ASP   2           HB3      ASP   2   9.965   5.633  10.905
   13    H    ARG   3           H        ARG   3  10.572   7.031   7.106
   14    HA   ARG   3           HA       ARG   3   9.594   9.524   8.247
   15    HB2  ARG   3           HB2      ARG   3  12.120   9.845   7.694
   16    HB3  ARG   3           HB3      ARG   3  11.664   9.641   6.008
   17    HG2  ARG   3           HG2      ARG   3  11.803  11.972   6.423
   18    HG3  ARG   3           HG3      ARG   3  10.077  11.607   6.288
   19    HD2  ARG   3           HD2      ARG   3   9.884  11.627   8.770
   20    HD3  ARG   3           HD3      ARG   3  11.631  11.935   8.893
   21    HE   ARG   3           HE       ARG   3  10.484  13.928   7.230
   22   HH11  ARG   3          HH12      ARG   3  10.441  12.969  10.658
   23   HH12  ARG   3          HH11      ARG   3  10.120  14.561  11.246
   24   HH21  ARG   3          HH22      ARG   3  10.074  16.053   8.013
   25   HH22  ARG   3          HH21      ARG   3   9.908  16.356   9.701
   26    H    SER   4           H        SER   4   7.967  10.430   6.887
   27    HA   SER   4           HA       SER   4   6.645   8.754   5.056
   28    HB2  SER   4           HB2      SER   4   6.512  11.794   5.190
   29    HB3  SER   4           HB3      SER   4   5.255  10.683   4.625
   30    HG   SER   4           HG       SER   4   4.877  11.386   6.795
   31    H    LYS   5           H        LYS   5   6.486   8.818   2.743
   32    HA   LYS   5           HA       LYS   5   8.891   9.741   1.339
   33    HB2  LYS   5           HB2      LYS   5   7.670   7.592   0.804
   34    HB3  LYS   5           HB3      LYS   5   6.337   8.566   0.173
   35    HG2  LYS   5           HG2      LYS   5   8.057   9.665  -1.390
   36    HG3  LYS   5           HG3      LYS   5   9.221   8.457  -0.833
   37    HD2  LYS   5           HD2      LYS   5   7.733   6.640  -1.636
   38    HD3  LYS   5           HD3      LYS   5   6.538   7.850  -2.159
   39    HE2  LYS   5           HE2      LYS   5   8.241   8.837  -3.710
   40    HE3  LYS   5           HE3      LYS   5   9.385   7.576  -3.233
   41    HZ1  LYS   5           HZ1      LYS   5   6.755   7.100  -4.540
   42    HZ2  LYS   5           HZ2      LYS   5   8.216   6.938  -5.275
   43    HZ3  LYS   5           HZ3      LYS   5   7.774   5.916  -4.078
   44    H    THR   6           H        THR   6   9.087  11.877   0.820
   45    HA   THR   6           HA       THR   6   6.977  13.724   1.099
   46    HB   THR   6           HB       THR   6   9.677  13.927  -0.298
   47    HG1  THR   6           HG1      THR   6  10.420  14.564   1.709
   48   HG21  THR   6          HG21      THR   6   9.534  16.369   0.209
   49   HG22  THR   6          HG22      THR   6   8.301  15.834  -0.934
   50   HG23  THR   6          HG23      THR   6   7.849  16.132   0.758
   51    H    THR   7           H        THR   7   8.196  12.069  -1.817
   52    HA   THR   7           HA       THR   7   6.219  13.596  -3.451
   53    HB   THR   7           HB       THR   7   7.958  13.363  -5.268
   54    HG1  THR   7           HG1      THR   7  10.080  12.860  -4.588
   55   HG21  THR   7          HG21      THR   7   9.170  14.874  -2.944
   56   HG22  THR   7          HG22      THR   7   9.037  15.350  -4.658
   57   HG23  THR   7          HG23      THR   7   7.618  15.383  -3.606
   58    H    ASN   8           H        ASN   8   5.739  12.586  -5.491
   59    HA   ASN   8           HA       ASN   8   5.791   9.562  -5.530
   60    HB2  ASN   8           HB2      ASN   8   3.474  11.324  -6.435
   61    HB3  ASN   8           HB3      ASN   8   3.592   9.573  -6.612
   62   HD21  ASN   8          HD22      ASN   8   3.910   8.342  -4.379
   63   HD22  ASN   8          HD21      ASN   8   2.817   8.897  -3.136
   64    H    THR   9           H        THR   9   6.690   8.855  -7.362
   65    HA   THR   9           HA       THR   9   7.089  10.850  -9.518
   66    HB   THR   9           HB       THR   9   9.005   8.668  -8.663
   67    HG1  THR   9           HG1      THR   9   9.291  10.299  -7.263
   68   HG21  THR   9          HG21      THR   9   9.305  10.699 -10.915
   69   HG22  THR   9          HG22      THR   9  10.542   9.555 -10.342
   70   HG23  THR   9          HG23      THR   9   9.049   8.987 -11.116
   71    H    TRP  10           H        TRP  10   6.740  10.087 -11.596
   72    HA   TRP  10           HA       TRP  10   5.986   7.257 -12.001
   73    HB2  TRP  10           HB2      TRP  10   4.360   9.669 -12.936
   74    HB3  TRP  10           HB3      TRP  10   4.073   8.003 -13.421
   75    HD1  TRP  10           HD1      TRP  10   2.989   6.402 -11.630
   76    HE1  TRP  10           HE1      TRP  10   1.585   6.794  -9.533
   77    HE3  TRP  10           HE3      TRP  10   4.045  11.320 -10.940
   78    HZ2  TRP  10           HZ2      TRP  10   0.792   9.095  -7.906
   79    HZ3  TRP  10           HZ3      TRP  10   2.825  12.650  -9.248
   80    HH2  TRP  10           HH2      TRP  10   1.184  11.550  -7.721
   81    H    VAL  11           H        VAL  11   6.182   6.747 -14.351
   82    HA   VAL  11           HA       VAL  11   7.411   8.798 -15.984
   83    HB   VAL  11           HB       VAL  11   9.312   7.598 -15.043
   84   HG11  VAL  11          HG11      VAL  11   8.266   5.385 -14.669
   85   HG12  VAL  11          HG12      VAL  11   8.272   5.096 -16.421
   86   HG13  VAL  11          HG13      VAL  11   9.804   5.275 -15.541
   87   HG21  VAL  11          HG21      VAL  11  10.520   7.140 -17.114
   88   HG22  VAL  11          HG22      VAL  11   9.015   6.997 -18.031
   89   HG23  VAL  11          HG23      VAL  11   9.488   8.558 -17.335
   90    H    LEU  12           H        LEU  12   6.932   8.569 -18.211
   91    HA   LEU  12           HA       LEU  12   5.409   6.165 -19.050
   92    HB2  LEU  12           HB2      LEU  12   4.562   9.054 -19.618
   93    HB3  LEU  12           HB3      LEU  12   4.023   7.654 -20.516
   94    HG   LEU  12           HG       LEU  12   3.339   6.786 -18.036
   95   HD11  LEU  12          HD11      LEU  12   3.001   9.825 -17.956
   96   HD12  LEU  12          HD12      LEU  12   2.362   8.657 -16.776
   97   HD13  LEU  12          HD13      LEU  12   4.108   8.892 -16.934
   98   HD21  LEU  12          HD21      LEU  12   1.740   8.624 -19.851
   99   HD22  LEU  12          HD22      LEU  12   1.933   6.865 -20.026
  100   HD23  LEU  12          HD23      LEU  12   1.059   7.514 -18.625
  101    H    HIS  13           H        HIS  13   5.593   5.806 -21.312
  102    HA   HIS  13           HA       HIS  13   7.726   7.320 -22.669
  103    HB2  HIS  13           HB2      HIS  13   8.403   5.009 -22.431
  104    HB3  HIS  13           HB3      HIS  13   6.848   4.440 -23.049
  105    HD1  HIS  13           HD1      HIS  13   6.883   3.905 -25.605
  106    HD2  HIS  13           HD2      HIS  13   9.777   6.714 -24.378
  107    HE1  HIS  13           HE1      HIS  13   8.251   4.478 -27.673
  108    H    MET  14           H        MET  14   6.893   8.671 -24.210
  109    HA   MET  14           HA       MET  14   4.456   7.964 -25.648
  110    HB2  MET  14           HB2      MET  14   4.708  10.576 -24.087
  111    HB3  MET  14           HB3      MET  14   3.424  10.178 -25.233
  112    HG2  MET  14           HG2      MET  14   2.794   8.242 -23.769
  113    HG3  MET  14           HG3      MET  14   3.972   8.799 -22.579
  114    HE1  MET  14           HE1      MET  14   3.516  12.054 -22.712
  115    HE2  MET  14           HE2      MET  14   2.360  12.202 -21.376
  116    HE3  MET  14           HE3      MET  14   3.753  11.107 -21.222
  117    H    ASP  15           H        ASP  15   4.550   8.745 -27.738
  118    HA   ASP  15           HA       ASP  15   5.532   9.469 -29.626
  119    HB2  ASP  15           HB2      ASP  15   4.290  11.416 -28.737
  120    HB3  ASP  15           HB3      ASP  15   5.790  12.036 -28.042
  121    H    GLY  16           H        GLY  16   7.410   8.023 -28.122
  122    HA2  GLY  16           HA2      GLY  16   9.572   7.381 -28.547
  123    HA3  GLY  16           HA3      GLY  16   9.802   8.812 -29.549
  124    H    GLU  17           H        GLU  17   8.674   9.645 -26.362
  125    HA   GLU  17           HA       GLU  17  11.401   9.999 -25.342
  126    HB2  GLU  17           HB2      GLU  17   9.156  12.044 -25.484
  127    HB3  GLU  17           HB3      GLU  17  10.391  12.118 -24.220
  128    HG2  GLU  17           HG2      GLU  17  12.177  12.131 -25.936
  129    HG3  GLU  17           HG3      GLU  17  10.954  12.126 -27.215
  130    H    ASN  18           H        ASN  18  11.585   9.982 -23.045
  131    HA   ASN  18           HA       ASN  18   9.353   8.638 -21.642
  132    HB2  ASN  18           HB2      ASN  18  12.328   8.529 -21.205
  133    HB3  ASN  18           HB3      ASN  18  11.240   8.393 -19.833
  134   HD21  ASN  18          HD22      ASN  18  12.195   6.795 -22.881
  135   HD22  ASN  18          HD21      ASN  18  11.427   5.271 -22.496
  136    H    PHE  19           H        PHE  19   8.182   9.933 -20.373
  137    HA   PHE  19           HA       PHE  19   9.291  12.589 -19.543
  138    HB2  PHE  19           HB2      PHE  19   6.419  11.628 -19.883
  139    HB3  PHE  19           HB3      PHE  19   6.890  13.191 -19.221
  140    HD1  PHE  19           HD1      PHE  19   7.919  14.942 -20.650
  141    HD2  PHE  19           HD2      PHE  19   6.597  11.173 -22.290
  142    HE1  PHE  19           HE1      PHE  19   8.121  15.861 -22.944
  143    HE2  PHE  19           HE2      PHE  19   6.772  12.119 -24.576
  144    HZ   PHE  19           HZ       PHE  19   7.577  14.432 -24.916
  145    H    ARG  20           H        ARG  20  10.089  12.466 -17.479
  146    HA   ARG  20           HA       ARG  20   8.838  10.688 -15.494
  147    HB2  ARG  20           HB2      ARG  20  11.218  12.558 -15.396
  148    HB3  ARG  20           HB3      ARG  20  10.436  11.960 -13.933
  149    HG2  ARG  20           HG2      ARG  20  10.638   9.628 -15.421
  150    HG3  ARG  20           HG3      ARG  20  12.122  10.485 -15.887
  151    HD2  ARG  20           HD2      ARG  20  12.613  10.767 -13.438
  152    HD3  ARG  20           HD3      ARG  20  11.108   9.860 -13.094
  153    HE   ARG  20           HE       ARG  20  12.631   8.249 -14.808
  154   HH11  ARG  20          HH11      ARG  20  13.140   9.597 -11.551
  155   HH12  ARG  20          HH12      ARG  20  14.124   8.284 -11.016
  156   HH21  ARG  20          HH21      ARG  20  13.951   6.510 -14.091
  157   HH22  ARG  20          HH22      ARG  20  14.607   6.503 -12.497
  158    H    ILE  21           H        ILE  21   7.608  11.364 -13.847
  159    HA   ILE  21           HA       ILE  21   6.650  14.160 -13.813
  160    HB   ILE  21           HB       ILE  21   5.060  11.639 -13.323
  161   HG12  ILE  21          HG12      ILE  21   5.422  12.084 -15.692
  162   HG13  ILE  21          HG13      ILE  21   3.727  12.194 -15.241
  163   HG21  ILE  21          HG21      ILE  21   3.097  13.023 -12.919
  164   HG22  ILE  21          HG22      ILE  21   4.330  13.424 -11.731
  165   HG23  ILE  21          HG23      ILE  21   4.076  14.507 -13.111
  166   HD11  ILE  21          HD11      ILE  21   4.477  13.900 -16.879
  167   HD12  ILE  21          HD12      ILE  21   3.792  14.631 -15.413
  168   HD13  ILE  21          HD13      ILE  21   5.551  14.597 -15.668
  169    H    VAL  22           H        VAL  22   6.978  15.028 -11.690
  170    HA   VAL  22           HA       VAL  22   7.026  13.094  -9.489
  171    HB   VAL  22           HB       VAL  22   8.950  15.431  -9.735
  172   HG11  VAL  22          HG11      VAL  22   9.948  14.485  -7.660
  173   HG12  VAL  22          HG12      VAL  22   8.255  14.927  -7.382
  174   HG13  VAL  22          HG13      VAL  22   8.700  13.219  -7.639
  175   HG21  VAL  22          HG21      VAL  22   9.579  12.483  -9.838
  176   HG22  VAL  22          HG22      VAL  22   9.636  13.595 -11.229
  177   HG23  VAL  22          HG23      VAL  22  10.751  13.809  -9.871
  178    H    LEU  23           H        LEU  23   5.359  13.594  -8.199
  179    HA   LEU  23           HA       LEU  23   4.202  16.344  -8.187
  180    HB2  LEU  23           HB2      LEU  23   2.534  14.678  -8.237
  181    HB3  LEU  23           HB3      LEU  23   3.398  13.631  -7.117
  182    HG   LEU  23           HG       LEU  23   2.958  15.217  -5.241
  183   HD11  LEU  23          HD11      LEU  23   1.063  16.635  -7.161
  184   HD12  LEU  23          HD12      LEU  23   1.257  16.924  -5.417
  185   HD13  LEU  23          HD13      LEU  23   2.572  17.324  -6.515
  186   HD21  LEU  23          HD21      LEU  23   1.513  13.249  -5.645
  187   HD22  LEU  23          HD22      LEU  23   0.706  14.593  -4.831
  188   HD23  LEU  23          HD23      LEU  23   0.402  14.308  -6.555
  189    H    GLU  24           H        GLU  24   4.933  17.759  -6.640
  190    HA   GLU  24           HA       GLU  24   6.324  16.765  -4.249
  191    HB2  GLU  24           HB2      GLU  24   6.565  19.113  -5.957
  192    HB3  GLU  24           HB3      GLU  24   6.199  19.614  -4.305
  193    HG2  GLU  24           HG2      GLU  24   8.355  17.646  -5.074
  194    HG3  GLU  24           HG3      GLU  24   8.625  19.378  -4.858
  195    H    LYS  25           H        LYS  25   5.043  16.292  -2.563
  196    HA   LYS  25           HA       LYS  25   2.240  16.973  -2.599
  197    HB2  LYS  25           HB2      LYS  25   3.989  15.879  -0.379
  198    HB3  LYS  25           HB3      LYS  25   2.229  15.998  -0.319
  199    HG2  LYS  25           HG2      LYS  25   1.987  14.421  -2.186
  200    HG3  LYS  25           HG3      LYS  25   3.750  14.310  -2.352
  201    HD2  LYS  25           HD2      LYS  25   3.863  13.578   0.066
  202    HD3  LYS  25           HD3      LYS  25   2.089  13.539   0.088
  203    HE2  LYS  25           HE2      LYS  25   2.061  11.781  -1.614
  204    HE3  LYS  25           HE3      LYS  25   3.807  11.920  -1.853
  205    HZ1  LYS  25           HZ1      LYS  25   4.172  11.108   0.394
  206    HZ2  LYS  25           HZ2      LYS  25   2.555  11.052   0.710
  207    HZ3  LYS  25           HZ3      LYS  25   3.213  10.036  -0.392
  208    H    ASP  26           H        ASP  26   5.085  18.587  -1.252
  209    HA   ASP  26           HA       ASP  26   3.884  19.894   0.932
  210    HB2  ASP  26           HB2      ASP  26   6.311  19.743   0.587
  211    HB3  ASP  26           HB3      ASP  26   6.187  20.787  -0.839
  212    H    ALA  27           H        ALA  27   4.054  20.852  -2.494
  213    HA   ALA  27           HA       ALA  27   2.296  23.148  -1.941
  214    HB1  ALA  27           HB1      ALA  27   4.578  23.820  -2.607
  215    HB2  ALA  27           HB2      ALA  27   4.433  22.855  -4.091
  216    HB3  ALA  27           HB3      ALA  27   3.388  24.271  -3.845
  217    H    MET  28           H        MET  28   2.230  20.082  -3.264
  218    HA   MET  28           HA       MET  28   1.164  18.999  -4.833
  219    HB2  MET  28           HB2      MET  28  -0.961  21.130  -4.543
  220    HB3  MET  28           HB3      MET  28  -1.162  19.648  -5.469
  221    HG2  MET  28           HG2      MET  28  -0.501  19.790  -2.513
  222    HG3  MET  28           HG3      MET  28  -2.094  19.468  -3.184
  223    HE1  MET  28           HE1      MET  28  -1.730  15.841  -4.625
  224    HE2  MET  28           HE2      MET  28  -2.836  17.186  -4.291
  225    HE3  MET  28           HE3      MET  28  -1.586  17.351  -5.548
  226    H    ASP  29           H        ASP  29   3.259  20.594  -5.648
  227    HA   ASP  29           HA       ASP  29   2.515  21.735  -8.270
  228    HB2  ASP  29           HB2      ASP  29   4.161  22.885  -6.607
  229    HB3  ASP  29           HB3      ASP  29   5.322  21.665  -7.140
  230    H    VAL  30           H        VAL  30   3.532  20.755 -10.194
  231    HA   VAL  30           HA       VAL  30   4.519  17.997  -9.731
  232    HB   VAL  30           HB       VAL  30   2.355  18.707 -11.721
  233   HG11  VAL  30          HG11      VAL  30   3.899  16.995 -12.593
  234   HG12  VAL  30          HG12      VAL  30   3.722  16.060 -11.088
  235   HG13  VAL  30          HG13      VAL  30   2.335  16.279 -12.188
  236   HG21  VAL  30          HG21      VAL  30   0.892  17.267 -10.481
  237   HG22  VAL  30          HG22      VAL  30   2.166  16.939  -9.278
  238   HG23  VAL  30          HG23      VAL  30   1.450  18.563  -9.425
  239    H    TRP  31           H        TRP  31   6.440  17.906 -10.465
  240    HA   TRP  31           HA       TRP  31   7.483  19.675 -12.532
  241    HB2  TRP  31           HB2      TRP  31   8.919  17.330 -11.248
  242    HB3  TRP  31           HB3      TRP  31   9.585  18.821 -11.867
  243    HD1  TRP  31           HD1      TRP  31   8.345  17.176  -8.721
  244    HE1  TRP  31           HE1      TRP  31   8.782  18.643  -6.713
  245    HE3  TRP  31           HE3      TRP  31   9.434  21.484 -11.154
  246    HZ2  TRP  31           HZ2      TRP  31   9.536  21.391  -6.178
  247    HZ3  TRP  31           HZ3      TRP  31  10.106  23.530  -9.866
  248    HH2  TRP  31           HH2      TRP  31  10.133  23.490  -7.385
  249    H    CYS  32           H        CYS  32   7.327  19.022 -14.709
  250    HA   CYS  32           HA       CYS  32   7.304  16.095 -15.304
  251    HB2  CYS  32           HB2      CYS  32   5.291  17.195 -16.120
  252    HB3  CYS  32           HB3      CYS  32   6.278  18.424 -16.968
  253    HG   CYS  32           HG       CYS  32   5.329  16.779 -18.744
  254    H    ASN  33           H        ASN  33   9.226  15.429 -15.919
  255    HA   ASN  33           HA       ASN  33  11.460  15.469 -16.284
  256    HB2  ASN  33           HB2      ASN  33  10.149  15.244 -18.471
  257    HB3  ASN  33           HB3      ASN  33  10.707  16.869 -18.859
  258   HD21  ASN  33          HD22      ASN  33  11.373  14.554 -20.418
  259   HD22  ASN  33          HD21      ASN  33  13.079  14.243 -20.249
  260    H    GLY  34           H        GLY  34  11.192  17.330 -14.462
  261    HA2  GLY  34           HA2      GLY  34  12.639  18.789 -13.454
  262    HA3  GLY  34           HA3      GLY  34  13.458  19.051 -14.992
  263    H    LYS  35           H        LYS  35  10.263  19.759 -15.744
  264    HA   LYS  35           HA       LYS  35  10.578  22.644 -14.977
  265    HB2  LYS  35           HB2      LYS  35   9.215  21.353 -17.379
  266    HB3  LYS  35           HB3      LYS  35   9.177  23.079 -16.993
  267    HG2  LYS  35           HG2      LYS  35  11.610  23.237 -17.251
  268    HG3  LYS  35           HG3      LYS  35  11.731  21.492 -17.551
  269    HD2  LYS  35           HD2      LYS  35  10.288  21.722 -19.544
  270    HD3  LYS  35           HD3      LYS  35  10.208  23.471 -19.310
  271    HE2  LYS  35           HE2      LYS  35  12.770  21.867 -19.784
  272    HE3  LYS  35           HE3      LYS  35  11.859  22.691 -21.051
  273    HZ1  LYS  35           HZ1      LYS  35  12.297  24.799 -19.913
  274    HZ2  LYS  35           HZ2      LYS  35  13.191  24.039 -18.766
  275    HZ3  LYS  35           HZ3      LYS  35  13.686  24.053 -20.319
  276    H    LYS  36           H        LYS  36   8.757  23.690 -13.987
  277    HA   LYS  36           HA       LYS  36   6.692  22.001 -12.870
  278    HB2  LYS  36           HB2      LYS  36   6.816  25.020 -13.223
  279    HB3  LYS  36           HB3      LYS  36   5.661  24.156 -12.195
  280    HG2  LYS  36           HG2      LYS  36   7.210  23.709 -10.541
  281    HG3  LYS  36           HG3      LYS  36   8.567  23.646 -11.657
  282    HD2  LYS  36           HD2      LYS  36   8.794  25.578 -10.248
  283    HD3  LYS  36           HD3      LYS  36   8.572  26.031 -11.954
  284    HE2  LYS  36           HE2      LYS  36   6.167  26.552 -11.469
  285    HE3  LYS  36           HE3      LYS  36   6.391  26.026  -9.798
  286    HZ1  LYS  36           HZ1      LYS  36   7.948  27.871  -9.490
  287    HZ2  LYS  36           HZ2      LYS  36   7.742  28.358 -11.045
  288    HZ3  LYS  36           HZ3      LYS  36   6.497  28.427  -9.985
  289    H    LEU  37           H        LEU  37   4.480  21.891 -13.553
  290    HA   LEU  37           HA       LEU  37   3.773  23.282 -16.036
  291    HB2  LEU  37           HB2      LEU  37   2.423  21.419 -16.820
  292    HB3  LEU  37           HB3      LEU  37   4.165  21.160 -16.816
  293    HG   LEU  37           HG       LEU  37   4.004  19.815 -14.825
  294   HD11  LEU  37          HD11      LEU  37   2.002  20.470 -13.665
  295   HD12  LEU  37          HD12      LEU  37   1.002  20.154 -15.101
  296   HD13  LEU  37          HD13      LEU  37   1.739  18.812 -14.201
  297   HD21  LEU  37          HD21      LEU  37   2.165  18.896 -17.076
  298   HD22  LEU  37          HD22      LEU  37   3.936  18.840 -17.101
  299   HD23  LEU  37          HD23      LEU  37   3.042  17.829 -15.944
  300    H    GLU  38           H        GLU  38   1.352  23.348 -16.311
  301    HA   GLU  38           HA       GLU  38   0.315  24.666 -13.967
  302    HB2  GLU  38           HB2      GLU  38  -1.534  25.315 -15.408
  303    HB3  GLU  38           HB3      GLU  38   0.022  25.647 -16.172
  304    HG2  GLU  38           HG2      GLU  38  -0.243  23.477 -17.483
  305    HG3  GLU  38           HG3      GLU  38  -1.858  23.325 -16.810
  306    H    THR  39           H        THR  39  -1.557  24.082 -12.799
  307    HA   THR  39           HA       THR  39  -2.721  21.386 -13.228
  308    HB   THR  39           HB       THR  39  -2.540  21.212 -10.640
  309    HG1  THR  39           HG1      THR  39  -0.769  22.195  -9.736
  310   HG21  THR  39          HG21      THR  39  -0.470  19.915 -10.853
  311   HG22  THR  39          HG22      THR  39  -1.505  19.665 -12.271
  312   HG23  THR  39          HG23      THR  39  -0.082  20.730 -12.384
  313    H    ALA  40           H        ALA  40  -4.770  21.106 -12.362
  314    HA   ALA  40           HA       ALA  40  -6.071  23.339 -10.928
  315    HB1  ALA  40           HB1      ALA  40  -7.282  21.856 -13.317
  316    HB2  ALA  40           HB2      ALA  40  -8.140  22.987 -12.244
  317    HB3  ALA  40           HB3      ALA  40  -6.824  23.577 -13.284
  318    H    GLY  41           H        GLY  41  -7.472  22.479  -9.301
  319    HA2  GLY  41           HA2      GLY  41  -7.115  19.547  -8.801
  320    HA3  GLY  41           HA3      GLY  41  -7.257  20.803  -7.562
  321    H    GLU  42           H        GLU  42  -8.983  18.744  -9.801
  322    HA   GLU  42           HA       GLU  42 -11.530  20.119  -9.350
  323    HB2  GLU  42           HB2      GLU  42 -10.954  19.263 -11.598
  324    HB3  GLU  42           HB3      GLU  42 -10.774  17.631 -10.917
  325    HG2  GLU  42           HG2      GLU  42 -12.851  17.872 -12.113
  326    HG3  GLU  42           HG3      GLU  42 -13.119  17.508 -10.408
  327    H    PHE  43           H        PHE  43 -13.222  19.047  -8.177
  328    HA   PHE  43           HA       PHE  43 -12.200  17.023  -6.215
  329    HB2  PHE  43           HB2      PHE  43 -14.475  19.007  -5.949
  330    HB3  PHE  43           HB3      PHE  43 -14.104  17.734  -4.793
  331    HD1  PHE  43           HD1      PHE  43 -11.690  17.660  -3.788
  332    HD2  PHE  43           HD2      PHE  43 -13.366  21.129  -5.741
  333    HE1  PHE  43           HE1      PHE  43 -10.000  19.098  -2.690
  334    HE2  PHE  43           HE2      PHE  43 -11.675  22.565  -4.627
  335    HZ   PHE  43           HZ       PHE  43  -9.987  21.555  -3.100
  336    H    VAL  44           H        VAL  44 -13.117  15.030  -6.126
  337    HA   VAL  44           HA       VAL  44 -15.482  14.470  -7.785
  338    HB   VAL  44           HB       VAL  44 -14.414  12.347  -8.278
  339   HG11  VAL  44          HG11      VAL  44 -14.266  14.271  -9.850
  340   HG12  VAL  44          HG12      VAL  44 -12.666  14.666  -9.183
  341   HG13  VAL  44          HG13      VAL  44 -12.944  13.124 -10.021
  342   HG21  VAL  44          HG21      VAL  44 -12.836  12.152  -6.404
  343   HG22  VAL  44          HG22      VAL  44 -12.073  11.889  -7.973
  344   HG23  VAL  44          HG23      VAL  44 -11.827  13.434  -7.148
  345    H    ASP  45           H        ASP  45 -16.113  12.003  -6.974
  346    HA   ASP  45           HA       ASP  45 -17.146  12.723  -4.405
  347    HB2  ASP  45           HB2      ASP  45 -18.937  11.332  -4.796
  348    HB3  ASP  45           HB3      ASP  45 -18.490  11.799  -6.430
  349    H    ASP  46           H        ASP  46 -14.442  11.489  -4.762
  350    HA   ASP  46           HA       ASP  46 -14.458  10.238  -2.134
  351    HB2  ASP  46           HB2      ASP  46 -14.864   8.423  -4.039
  352    HB3  ASP  46           HB3      ASP  46 -13.116   8.519  -4.215
  353    H    GLY  47           H        GLY  47 -13.102  12.581  -3.788
  354    HA2  GLY  47           HA2      GLY  47 -10.736  12.911  -2.466
  355    HA3  GLY  47           HA3      GLY  47 -10.291  11.821  -3.778
  356    H    THR  48           H        THR  48  -8.959  13.302  -4.845
  357    HA   THR  48           HA       THR  48 -10.328  15.569  -6.180
  358    HB   THR  48           HB       THR  48  -7.490  15.763  -5.163
  359    HG1  THR  48           HG1      THR  48  -8.654  15.464  -3.275
  360   HG21  THR  48          HG21      THR  48  -8.176  17.494  -6.773
  361   HG22  THR  48          HG22      THR  48  -9.544  17.931  -5.727
  362   HG23  THR  48          HG23      THR  48  -7.880  18.185  -5.176
  363    H    GLU  49           H        GLU  49  -9.304  16.103  -8.230
  364    HA   GLU  49           HA       GLU  49  -7.423  14.119  -9.311
  365    HB2  GLU  49           HB2      GLU  49 -10.000  15.095 -10.575
  366    HB3  GLU  49           HB3      GLU  49  -8.638  14.459 -11.533
  367    HG2  GLU  49           HG2      GLU  49  -8.677  12.369 -10.266
  368    HG3  GLU  49           HG3      GLU  49 -10.004  12.953  -9.266
  369    H    THR  50           H        THR  50  -5.597  15.279  -9.451
  370    HA   THR  50           HA       THR  50  -5.686  18.185  -9.991
  371    HB   THR  50           HB       THR  50  -3.422  16.261  -9.389
  372    HG1  THR  50           HG1      THR  50  -4.747  16.778  -7.598
  373   HG21  THR  50          HG21      THR  50  -2.045  18.341  -9.085
  374   HG22  THR  50          HG22      THR  50  -2.468  17.986 -10.759
  375   HG23  THR  50          HG23      THR  50  -3.351  19.262  -9.892
  376    H    HIS  51           H        HIS  51  -6.194  18.557 -12.133
  377    HA   HIS  51           HA       HIS  51  -5.452  16.605 -14.206
  378    HB2  HIS  51           HB2      HIS  51  -7.169  19.118 -14.205
  379    HB3  HIS  51           HB3      HIS  51  -6.805  18.199 -15.657
  380    HD1  HIS  51           HD1      HIS  51  -7.926  15.722 -15.867
  381    HD2  HIS  51           HD2      HIS  51  -9.164  18.174 -12.665
  382    HE1  HIS  51           HE1      HIS  51 -10.060  14.686 -14.937
  383    H    PHE  52           H        PHE  52  -4.119  17.023 -15.957
  384    HA   PHE  52           HA       PHE  52  -3.226  19.654 -16.670
  385    HB2  PHE  52           HB2      PHE  52  -0.799  19.200 -16.491
  386    HB3  PHE  52           HB3      PHE  52  -1.600  19.371 -14.955
  387    HD1  PHE  52           HD2      PHE  52  -1.899  17.511 -13.405
  388    HD2  PHE  52           HD1      PHE  52   0.283  17.060 -17.102
  389    HE1  PHE  52           HE2      PHE  52  -0.790  15.513 -12.494
  390    HE2  PHE  52           HE1      PHE  52   1.385  15.018 -16.167
  391    HZ   PHE  52           HZ       PHE  52   0.893  14.277 -13.865
  392    H    SER  53           H        SER  53  -1.352  19.112 -18.556
  393    HA   SER  53           HA       SER  53  -2.174  16.767 -20.114
  394    HB2  SER  53           HB2      SER  53  -2.418  19.595 -21.227
  395    HB3  SER  53           HB3      SER  53  -2.714  18.085 -22.105
  396    HG   SER  53           HG       SER  53  -4.654  19.135 -21.336
  397    H    ILE  54           H        ILE  54  -0.649  16.223 -21.732
  398    HA   ILE  54           HA       ILE  54   1.898  17.727 -21.900
  399    HB   ILE  54           HB       ILE  54   1.613  14.814 -21.011
  400   HG12  ILE  54          HG12      ILE  54   3.042  17.113 -19.589
  401   HG13  ILE  54          HG13      ILE  54   1.396  16.612 -19.206
  402   HG21  ILE  54          HG21      ILE  54   4.163  16.357 -21.698
  403   HG22  ILE  54          HG22      ILE  54   4.096  14.703 -21.060
  404   HG23  ILE  54          HG23      ILE  54   3.460  15.028 -22.655
  405   HD11  ILE  54          HD11      ILE  54   2.920  15.677 -17.629
  406   HD12  ILE  54          HD12      ILE  54   2.102  14.397 -18.550
  407   HD13  ILE  54          HD13      ILE  54   3.801  14.812 -18.898
  408    H    GLY  55           H        GLY  55   2.568  17.631 -24.069
  409    HA2  GLY  55           HA2      GLY  55   2.508  17.096 -26.315
  410    HA3  GLY  55           HA3      GLY  55   2.147  15.433 -25.815
  411    H    ASN  56           H        ASN  56   0.303  14.715 -26.729
  412    HA   ASN  56           HA       ASN  56  -2.045  16.519 -26.922
  413    HB2  ASN  56           HB2      ASN  56  -1.084  15.828 -29.146
  414    HB3  ASN  56           HB3      ASN  56  -1.434  14.151 -28.715
  415   HD21  ASN  56          HD22      ASN  56  -2.856  14.092 -30.645
  416   HD22  ASN  56          HD21      ASN  56  -4.445  14.821 -30.581
  417    H    HIS  57           H        HIS  57  -1.309  15.166 -24.528
  418    HA   HIS  57           HA       HIS  57  -3.433  13.100 -24.267
  419    HB2  HIS  57           HB2      HIS  57  -0.799  13.002 -22.772
  420    HB3  HIS  57           HB3      HIS  57  -1.988  11.726 -22.979
  421    HD1  HIS  57           HD1      HIS  57  -2.038  10.744 -25.711
  422    HD2  HIS  57           HD2      HIS  57   1.233  13.029 -24.365
  423    HE1  HIS  57           HE1      HIS  57  -0.159  10.371 -27.386
  424    H    ASP  58           H        ASP  58  -4.594  13.251 -22.306
  425    HA   ASP  58           HA       ASP  58  -3.891  15.526 -20.524
  426    HB2  ASP  58           HB2      ASP  58  -5.984  15.832 -19.885
  427    HB3  ASP  58           HB3      ASP  58  -6.273  15.363 -21.554
  428    H    CYS  59           H        CYS  59  -3.836  15.165 -18.303
  429    HA   CYS  59           HA       CYS  59  -3.409  12.382 -17.388
  430    HB2  CYS  59           HB2      CYS  59  -1.612  14.644 -16.547
  431    HB3  CYS  59           HB3      CYS  59  -1.346  12.906 -16.404
  432    HG   CYS  59           HG       CYS  59  -1.396  14.848 -19.060
  433    H    TYR  60           H        TYR  60  -3.841  12.175 -15.061
  434    HA   TYR  60           HA       TYR  60  -4.174  14.643 -13.638
  435    HB2  TYR  60           HB2      TYR  60  -6.378  14.257 -12.736
  436    HB3  TYR  60           HB3      TYR  60  -6.416  14.411 -14.479
  437    HD1  TYR  60           HD1      TYR  60  -6.411  11.784 -11.777
  438    HD2  TYR  60           HD2      TYR  60  -7.591  12.860 -15.777
  439    HE1  TYR  60           HE1      TYR  60  -7.781   9.734 -11.923
  440    HE2  TYR  60           HE2      TYR  60  -9.107  10.898 -15.868
  441    HH   TYR  60           HH       TYR  60  -9.917   8.997 -14.717
  442    H    ILE  61           H        ILE  61  -3.706  14.446 -11.435
  443    HA   ILE  61           HA       ILE  61  -2.869  11.711 -10.614
  444    HB   ILE  61           HB       ILE  61  -2.449  14.357  -9.226
  445   HG12  ILE  61          HG12      ILE  61  -0.285  12.486 -10.266
  446   HG13  ILE  61          HG13      ILE  61  -1.065  13.601 -11.379
  447   HG21  ILE  61          HG21      ILE  61  -1.583  11.533  -8.421
  448   HG22  ILE  61          HG22      ILE  61  -1.041  13.024  -7.639
  449   HG23  ILE  61          HG23      ILE  61  -2.739  12.573  -7.553
  450   HD11  ILE  61          HD11      ILE  61   0.954  14.634 -10.521
  451   HD12  ILE  61          HD12      ILE  61  -0.464  15.526  -9.926
  452   HD13  ILE  61          HD13      ILE  61   0.404  14.415  -8.847
  453    H    LYS  62           H        LYS  62  -4.418  10.479  -9.763
  454    HA   LYS  62           HA       LYS  62  -6.932  11.611  -8.701
  455    HB2  LYS  62           HB2      LYS  62  -6.422   9.385 -10.178
  456    HB3  LYS  62           HB3      LYS  62  -6.227   8.660  -8.595
  457    HG2  LYS  62           HG2      LYS  62  -8.557   9.459  -8.017
  458    HG3  LYS  62           HG3      LYS  62  -8.674  10.182  -9.618
  459    HD2  LYS  62           HD2      LYS  62  -8.382   7.944 -10.686
  460    HD3  LYS  62           HD3      LYS  62  -8.285   7.201  -9.075
  461    HE2  LYS  62           HE2      LYS  62 -10.573   8.008  -8.545
  462    HE3  LYS  62           HE3      LYS  62 -10.663   8.819 -10.118
  463    HZ1  LYS  62           HZ1      LYS  62 -10.525   6.634 -11.189
  464    HZ2  LYS  62           HZ2      LYS  62 -10.442   5.873  -9.734
  465    HZ3  LYS  62           HZ3      LYS  62 -11.790   6.681 -10.162
  466    H    ALA  63           H        ALA  63  -6.475  12.616  -6.808
  467    HA   ALA  63           HA       ALA  63  -4.759  11.301  -4.788
  468    HB1  ALA  63           HB1      ALA  63  -5.104  13.382  -3.542
  469    HB2  ALA  63           HB2      ALA  63  -4.403  13.693  -5.147
  470    HB3  ALA  63           HB3      ALA  63  -6.136  14.006  -4.841
  471    H    VAL  64           H        VAL  64  -6.154   9.500  -4.581
  472    HA   VAL  64           HA       VAL  64  -8.962   9.861  -4.023
  473    HB   VAL  64           HB       VAL  64  -7.677   7.211  -3.587
  474   HG11  VAL  64          HG11      VAL  64 -10.158   7.593  -3.723
  475   HG12  VAL  64          HG12      VAL  64  -9.972   8.125  -5.406
  476   HG13  VAL  64          HG13      VAL  64  -9.595   6.447  -4.947
  477   HG21  VAL  64          HG21      VAL  64  -6.200   7.789  -5.375
  478   HG22  VAL  64          HG22      VAL  64  -7.405   6.651  -5.970
  479   HG23  VAL  64          HG23      VAL  64  -7.561   8.371  -6.374
  480    H    SER  65           H        SER  65  -9.838   9.931  -1.902
  481    HA   SER  65           HA       SER  65  -7.933   9.797   0.318
  482    HB2  SER  65           HB2      SER  65 -10.866  10.573   0.295
  483    HB3  SER  65           HB3      SER  65  -9.692  10.863   1.591
  484    HG   SER  65           HG       SER  65  -9.947  12.734   0.289
  485    H    SER  66           H        SER  66  -8.336   7.265  -0.894
  486    HA   SER  66           HA       SER  66 -10.453   5.751   0.227
  487    HB2  SER  66           HB2      SER  66  -7.766   4.795  -0.825
  488    HB3  SER  66           HB3      SER  66  -9.277   3.867  -0.779
  489    HG   SER  66           HG       SER  66 -10.126   5.208  -2.358
  490    H    GLY  67           H        GLY  67 -10.259   3.876   1.707
  491    HA2  GLY  67           HA2      GLY  67  -9.635   2.875   3.699
  492    HA3  GLY  67           HA3      GLY  67  -8.043   3.636   3.552
  493    H    LYS  68           H        LYS  68  -7.817   4.531   5.605
  494    HA   LYS  68           HA       LYS  68  -9.909   5.975   6.994
  495    HB2  LYS  68           HB2      LYS  68  -6.868   6.051   7.292
  496    HB3  LYS  68           HB3      LYS  68  -8.001   6.894   8.361
  497    HG2  LYS  68           HG2      LYS  68  -9.056   4.727   8.962
  498    HG3  LYS  68           HG3      LYS  68  -7.901   3.871   7.924
  499    HD2  LYS  68           HD2      LYS  68  -6.023   4.786   9.290
  500    HD3  LYS  68           HD3      LYS  68  -7.183   5.562  10.368
  501    HE2  LYS  68           HE2      LYS  68  -7.001   2.553   9.838
  502    HE3  LYS  68           HE3      LYS  68  -6.240   3.377  11.198
  503    HZ1  LYS  68           HZ1      LYS  68  -8.459   4.033  11.968
  504    HZ2  LYS  68           HZ2      LYS  68  -9.169   3.223  10.724
  505    HZ3  LYS  68           HZ3      LYS  68  -8.332   2.410  11.858
  506    H    ARG  69           H        ARG  69 -10.622   8.035   6.616
  507    HA   ARG  69           HA       ARG  69  -9.869   9.210   4.129
  508    HB2  ARG  69           HB2      ARG  69 -11.525  10.413   6.407
  509    HB3  ARG  69           HB3      ARG  69 -11.416  11.056   4.777
  510    HG2  ARG  69           HG2      ARG  69 -12.707   8.429   5.617
  511    HG3  ARG  69           HG3      ARG  69 -13.485   9.889   4.986
  512    HD2  ARG  69           HD2      ARG  69 -12.053   9.543   2.870
  513    HD3  ARG  69           HD3      ARG  69 -11.719   7.912   3.504
  514    HE   ARG  69           HE       ARG  69 -14.514   8.274   3.537
  515   HH11  ARG  69          HH21      ARG  69 -11.881   7.949   1.190
  516   HH12  ARG  69          HH22      ARG  69 -12.919   7.557  -0.162
  517   HH21  ARG  69          HH11      ARG  69 -15.915   7.719   1.714
  518   HH22  ARG  69          HH12      ARG  69 -15.182   7.494   0.140
  519    H    LYS  70           H        LYS  70  -8.924  10.069   7.473
  520    HA   LYS  70           HA       LYS  70  -7.672  12.535   6.632
  521    HB2  LYS  70           HB2      LYS  70  -8.461  12.246   8.937
  522    HB3  LYS  70           HB3      LYS  70  -7.372  10.881   9.179
  523    HG2  LYS  70           HG2      LYS  70  -6.448  12.877  10.236
  524    HG3  LYS  70           HG3      LYS  70  -5.410  12.331   8.925
  525    HD2  LYS  70           HD2      LYS  70  -5.533  14.736   8.896
  526    HD3  LYS  70           HD3      LYS  70  -6.257  14.081   7.446
  527    HE2  LYS  70           HE2      LYS  70  -7.625  15.916   8.179
  528    HE3  LYS  70           HE3      LYS  70  -8.548  14.442   8.448
  529    HZ1  LYS  70           HZ1      LYS  70  -7.957  14.591  10.817
  530    HZ2  LYS  70           HZ2      LYS  70  -7.059  15.942  10.546
  531    HZ3  LYS  70           HZ3      LYS  70  -8.672  15.972  10.329
  532    H    GLU  71           H        GLU  71  -5.817  12.711   5.571
  533    HA   GLU  71           HA       GLU  71  -3.819  12.494   4.719
  534    HB2  GLU  71           HB2      GLU  71  -3.221  11.171   7.370
  535    HB3  GLU  71           HB3      GLU  71  -1.987  11.594   6.180
  536    HG2  GLU  71           HG2      GLU  71  -2.646  13.962   6.271
  537    HG3  GLU  71           HG3      GLU  71  -3.892  13.592   7.452
  538    H    GLY  72           H        GLY  72  -5.474   9.551   5.130
  539    HA2  GLY  72           HA2      GLY  72  -3.497   7.762   4.172
  540    HA3  GLY  72           HA3      GLY  72  -5.244   7.478   4.314
  541    H    ILE  73           H        ILE  73  -3.843  10.055   2.340
  542    HA   ILE  73           HA       ILE  73  -5.592   9.323   0.177
  543    HB   ILE  73           HB       ILE  73  -3.536  11.537   0.517
  544   HG12  ILE  73          HG12      ILE  73  -5.449  13.067   0.506
  545   HG13  ILE  73          HG13      ILE  73  -6.588  11.736   0.314
  546   HG21  ILE  73          HG21      ILE  73  -3.759  10.994  -1.921
  547   HG22  ILE  73          HG22      ILE  73  -5.522  11.165  -1.789
  548   HG23  ILE  73          HG23      ILE  73  -4.455  12.563  -1.532
  549   HD11  ILE  73          HD11      ILE  73  -6.487  12.743   2.587
  550   HD12  ILE  73          HD12      ILE  73  -6.151  11.008   2.591
  551   HD13  ILE  73          HD13      ILE  73  -4.808  12.189   2.722
  552    H    ILE  74           H        ILE  74  -5.097   8.234  -1.711
  553    HA   ILE  74           HA       ILE  74  -2.774   6.553  -1.538
  554    HB   ILE  74           HB       ILE  74  -4.889   6.775  -3.699
  555   HG12  ILE  74          HG12      ILE  74  -5.918   6.274  -1.543
  556   HG13  ILE  74          HG13      ILE  74  -6.004   4.903  -2.628
  557   HG21  ILE  74          HG21      ILE  74  -3.002   5.574  -4.615
  558   HG22  ILE  74          HG22      ILE  74  -2.868   4.561  -3.165
  559   HG23  ILE  74          HG23      ILE  74  -4.273   4.416  -4.246
  560   HD11  ILE  74          HD11      ILE  74  -4.159   3.789  -1.380
  561   HD12  ILE  74          HD12      ILE  74  -4.047   5.198  -0.300
  562   HD13  ILE  74          HD13      ILE  74  -5.511   4.208  -0.322
  563    H    HIS  75           H        HIS  75  -3.688   9.179  -3.744
  564    HA   HIS  75           HA       HIS  75  -2.731  10.249  -5.458
  565    HB2  HIS  75           HB2      HIS  75  -0.130   9.717  -3.998
  566    HB3  HIS  75           HB3      HIS  75  -0.321  10.773  -5.388
  567    HD1  HIS  75           HD1      HIS  75  -0.739  10.821  -1.640
  568    HD2  HIS  75           HD2      HIS  75  -1.947  12.988  -5.042
  569    HE1  HIS  75           HE1      HIS  75  -1.545  13.093  -0.802
  570    H    THR  76           H        THR  76  -3.203   9.119  -7.259
  571    HA   THR  76           HA       THR  76  -1.061   7.330  -8.302
  572    HB   THR  76           HB       THR  76  -3.968   7.069  -9.126
  573    HG1  THR  76           HG1      THR  76  -4.198   5.445  -7.555
  574   HG21  THR  76          HG21      THR  76  -3.136   4.732  -9.604
  575   HG22  THR  76          HG22      THR  76  -2.423   6.027 -10.600
  576   HG23  THR  76          HG23      THR  76  -1.497   5.297  -9.258
  577    H    LEU  77           H        LEU  77  -0.450   7.745 -10.525
  578    HA   LEU  77           HA       LEU  77  -1.639  10.212 -11.675
  579    HB2  LEU  77           HB2      LEU  77   0.775  10.151 -11.680
  580    HB3  LEU  77           HB3      LEU  77   0.768   8.554 -12.442
  581    HG   LEU  77           HG       LEU  77  -0.342   9.589 -14.460
  582   HD11  LEU  77          HD11      LEU  77  -0.138  12.077 -14.691
  583   HD12  LEU  77          HD12      LEU  77  -1.341  11.607 -13.495
  584   HD13  LEU  77          HD13      LEU  77   0.261  12.175 -12.958
  585   HD21  LEU  77          HD21      LEU  77   2.335  10.746 -13.621
  586   HD22  LEU  77          HD22      LEU  77   2.061   9.168 -14.397
  587   HD23  LEU  77          HD23      LEU  77   1.715  10.659 -15.290
  588    H    ILE  78           H        ILE  78  -3.162  10.031 -13.224
  589    HA   ILE  78           HA       ILE  78  -3.455   7.486 -14.684
  590    HB   ILE  78           HB       ILE  78  -5.427   9.535 -13.707
  591   HG12  ILE  78          HG12      ILE  78  -6.849   7.562 -13.272
  592   HG13  ILE  78          HG13      ILE  78  -5.625   6.497 -13.960
  593   HG21  ILE  78          HG21      ILE  78  -5.761   7.927 -16.245
  594   HG22  ILE  78          HG22      ILE  78  -7.127   8.549 -15.301
  595   HG23  ILE  78          HG23      ILE  78  -5.961   9.696 -15.965
  596   HD11  ILE  78          HD11      ILE  78  -4.151   6.900 -12.133
  597   HD12  ILE  78          HD12      ILE  78  -5.101   8.310 -11.585
  598   HD13  ILE  78          HD13      ILE  78  -5.753   6.655 -11.422
  599    H    VAL  79           H        VAL  79  -3.360   7.734 -17.009
  600    HA   VAL  79           HA       VAL  79  -3.205  10.434 -18.103
  601    HB   VAL  79           HB       VAL  79  -1.189   8.274 -18.770
  602   HG11  VAL  79          HG11      VAL  79  -1.455  11.163 -19.712
  603   HG12  VAL  79          HG12      VAL  79  -0.058  10.131 -20.057
  604   HG13  VAL  79          HG13      VAL  79  -1.641   9.705 -20.702
  605   HG21  VAL  79          HG21      VAL  79  -0.624   9.111 -16.600
  606   HG22  VAL  79          HG22      VAL  79   0.507   9.822 -17.759
  607   HG23  VAL  79          HG23      VAL  79  -0.824  10.799 -17.122
  608    H    ASP  80           H        ASP  80  -4.380  10.571 -19.944
  609    HA   ASP  80           HA       ASP  80  -6.114   9.977 -21.257
  610    HB2  ASP  80           HB2      ASP  80  -4.146   9.556 -22.659
  611    HB3  ASP  80           HB3      ASP  80  -4.154   7.856 -22.165
  612    H    ASN  81           H        ASN  81  -6.540   9.108 -18.767
  613    HA   ASN  81           HA       ASN  81  -7.910   7.963 -17.481
  614    HB2  ASN  81           HB2      ASN  81  -9.466   8.258 -19.437
  615    HB3  ASN  81           HB3      ASN  81  -9.082   6.598 -19.900
  616   HD21  ASN  81          HD22      ASN  81 -11.079   5.565 -19.446
  617   HD22  ASN  81          HD21      ASN  81 -11.830   5.584 -17.866
  618    H    ARG  82           H        ARG  82  -5.312   6.410 -18.816
  619    HA   ARG  82           HA       ARG  82  -5.886   3.808 -17.592
  620    HB2  ARG  82           HB2      ARG  82  -3.828   4.943 -19.531
  621    HB3  ARG  82           HB3      ARG  82  -3.437   3.535 -18.550
  622    HG2  ARG  82           HG2      ARG  82  -4.272   2.678 -20.531
  623    HG3  ARG  82           HG3      ARG  82  -5.514   2.462 -19.286
  624    HD2  ARG  82           HD2      ARG  82  -6.708   2.929 -21.238
  625    HD3  ARG  82           HD3      ARG  82  -6.779   4.389 -20.282
  626    HE   ARG  82           HE       ARG  82  -5.753   5.515 -21.951
  627   HH11  ARG  82          HH21      ARG  82  -5.074   2.050 -22.519
  628   HH12  ARG  82          HH22      ARG  82  -4.424   2.297 -24.099
  629   HH21  ARG  82          HH11      ARG  82  -4.997   5.808 -24.091
  630   HH22  ARG  82          HH12      ARG  82  -4.314   4.482 -24.985
  631    H    GLU  83           H        GLU  83  -4.686   3.046 -15.839
  632    HA   GLU  83           HA       GLU  83  -3.758   5.154 -14.073
  633    HB2  GLU  83           HB2      GLU  83  -5.394   3.546 -13.313
  634    HB3  GLU  83           HB3      GLU  83  -4.303   2.187 -13.671
  635    HG2  GLU  83           HG2      GLU  83  -2.712   3.041 -11.959
  636    HG3  GLU  83           HG3      GLU  83  -3.810   4.403 -11.670
  637    H    ILE  84           H        ILE  84  -1.695   5.463 -13.373
  638    HA   ILE  84           HA       ILE  84   0.474   3.796 -14.510
  639    HB   ILE  84           HB       ILE  84   0.480   6.779 -13.888
  640   HG12  ILE  84          HG12      ILE  84  -1.026   6.536 -15.731
  641   HG13  ILE  84          HG13      ILE  84   0.490   7.233 -16.250
  642   HG21  ILE  84          HG21      ILE  84   2.504   5.060 -15.360
  643   HG22  ILE  84          HG22      ILE  84   2.563   6.829 -15.146
  644   HG23  ILE  84          HG23      ILE  84   2.685   5.768 -13.745
  645   HD11  ILE  84          HD11      ILE  84  -0.419   5.617 -17.878
  646   HD12  ILE  84          HD12      ILE  84   1.179   5.115 -17.290
  647   HD13  ILE  84          HD13      ILE  84  -0.287   4.324 -16.680
  648    HA   PRO  85           HA       PRO  85   1.042   3.373  -9.994
  649    HB2  PRO  85           HB2      PRO  85   2.877   1.343  -9.979
  650    HB3  PRO  85           HB3      PRO  85   1.145   1.086 -10.329
  651    HG2  PRO  85           HG2      PRO  85   3.418   1.426 -12.311
  652    HG3  PRO  85           HG3      PRO  85   2.145   0.165 -12.301
  653    HD2  PRO  85           HD2      PRO  85   1.966   2.410 -13.847
  654    HD3  PRO  85           HD3      PRO  85   0.509   1.681 -13.094
  655    H    GLU  86           H        GLU  86   2.658   4.098  -8.501
  656    HA   GLU  86           HA       GLU  86   4.546   5.953  -9.643
  657    HB2  GLU  86           HB2      GLU  86   4.747   6.899  -7.622
  658    HB3  GLU  86           HB3      GLU  86   3.116   6.259  -7.528
  659    HG2  GLU  86           HG2      GLU  86   3.951   4.337  -6.187
  660    HG3  GLU  86           HG3      GLU  86   5.611   4.957  -6.340
  661    H    ILE  87           H        ILE  87   6.816   6.084  -8.866
  662    HA   ILE  87           HA       ILE  87   8.155   3.479  -8.555
  663    HB   ILE  87           HB       ILE  87   9.874   4.376 -10.018
  664   HG12  ILE  87          HG12      ILE  87   8.061   6.612 -10.884
  665   HG13  ILE  87          HG13      ILE  87   9.393   6.809  -9.748
  666   HG21  ILE  87          HG21      ILE  87   8.062   2.885 -10.855
  667   HG22  ILE  87          HG22      ILE  87   7.209   4.323 -11.475
  668   HG23  ILE  87          HG23      ILE  87   8.792   3.864 -12.127
  669   HD11  ILE  87          HD11      ILE  87  10.971   5.873 -11.503
  670   HD12  ILE  87          HD12      ILE  87   9.622   5.892 -12.660
  671   HD13  ILE  87          HD13      ILE  87  10.224   7.398 -11.977
  672    H    ALA  88           H        ALA  88  10.515   3.918  -7.993
  673    HA   ALA  88           HA       ALA  88  12.095   4.588  -6.568
  674    HB1  ALA  88           HB1      ALA  88  10.960   7.349  -7.007
  675    HB2  ALA  88           HB2      ALA  88  12.624   6.928  -6.541
  676    HB3  ALA  88           HB3      ALA  88  12.018   6.486  -8.155
  677    H    SER  89           H        SER  89   9.690   3.766  -5.342
  678    HA   SER  89           HA       SER  89   9.474   5.200  -2.761
  679    HB2  SER  89           HB2      SER  89   8.427   2.461  -3.580
  680    HB3  SER  89           HB3      SER  89   8.005   3.364  -2.116
  681    HG   SER  89           HG       SER  89   6.455   3.579  -3.889
  Start of MODEL   12
    1    H1   GLU   1           H1       GLU   1  21.775  12.647   7.803
    2    H2   GLU   1           H2       GLU   1  20.529  11.849   8.506
    3    H3   GLU   1           H3       GLU   1  20.818  11.640   6.916
    4    HA   GLU   1           HA       GLU   1  19.929  14.145   8.184
    5    HB2  GLU   1           HB2      GLU   1  20.391  13.495   5.235
    6    HB3  GLU   1           HB3      GLU   1  19.527  14.915   5.822
    7    HG2  GLU   1           HG2      GLU   1  21.553  15.646   7.069
    8    HG3  GLU   1           HG3      GLU   1  22.445  14.273   6.411
    9    H    ASP   2           H        ASP   2  17.672  14.755   7.607
   10    HA   ASP   2           HA       ASP   2  15.884  12.629   6.638
   11    HB2  ASP   2           HB2      ASP   2  16.007  12.128   9.040
   12    HB3  ASP   2           HB3      ASP   2  15.719  13.825   9.437
   13    H    ARG   3           H        ARG   3  13.893  13.522   5.892
   14    HA   ARG   3           HA       ARG   3  13.357  16.360   6.261
   15    HB2  ARG   3           HB2      ARG   3  14.940  16.017   4.178
   16    HB3  ARG   3           HB3      ARG   3  13.546  15.274   3.415
   17    HG2  ARG   3           HG2      ARG   3  13.634  17.538   2.690
   18    HG3  ARG   3           HG3      ARG   3  12.276  17.453   3.818
   19    HD2  ARG   3           HD2      ARG   3  13.705  18.424   5.609
   20    HD3  ARG   3           HD3      ARG   3  15.088  18.429   4.490
   21    HE   ARG   3           HE       ARG   3  12.930  19.857   3.314
   22   HH11  ARG   3          HH12      ARG   3  15.259  20.220   5.976
   23   HH12  ARG   3          HH11      ARG   3  15.281  21.945   5.911
   24   HH21  ARG   3          HH21      ARG   3  12.945  22.157   3.233
   25   HH22  ARG   3          HH22      ARG   3  13.933  23.071   4.317
   26    H    SER   4           H        SER   4  11.100  16.810   5.868
   27    HA   SER   4           HA       SER   4   9.397  14.506   6.173
   28    HB2  SER   4           HB2      SER   4   7.663  16.452   6.284
   29    HB3  SER   4           HB3      SER   4   8.868  16.267   7.565
   30    HG   SER   4           HG       SER   4   8.692  18.454   6.825
   31    H    LYS   5           H        LYS   5  10.621  15.763   3.330
   32    HA   LYS   5           HA       LYS   5   8.280  16.134   1.767
   33    HB2  LYS   5           HB2      LYS   5  10.623  16.870   1.180
   34    HB3  LYS   5           HB3      LYS   5  11.013  15.182   0.798
   35    HG2  LYS   5           HG2      LYS   5   9.342  15.135  -0.963
   36    HG3  LYS   5           HG3      LYS   5   8.760  16.750  -0.537
   37    HD2  LYS   5           HD2      LYS   5  11.571  16.145  -1.571
   38    HD3  LYS   5           HD3      LYS   5  10.206  16.651  -2.573
   39    HE2  LYS   5           HE2      LYS   5  10.018  18.693  -0.963
   40    HE3  LYS   5           HE3      LYS   5  11.638  18.248  -0.400
   41    HZ1  LYS   5           HZ1      LYS   5  11.742  19.889  -2.171
   42    HZ2  LYS   5           HZ2      LYS   5  12.371  18.491  -2.757
   43    HZ3  LYS   5           HZ3      LYS   5  10.840  18.957  -3.172
   44    H    THR   6           H        THR   6   6.929  14.688   0.735
   45    HA   THR   6           HA       THR   6   7.610  11.808   0.650
   46    HB   THR   6           HB       THR   6   4.923  12.746   1.671
   47    HG1  THR   6           HG1      THR   6   6.451  13.360   3.227
   48   HG21  THR   6          HG21      THR   6   5.234  10.381   0.698
   49   HG22  THR   6          HG22      THR   6   6.449  10.095   1.949
   50   HG23  THR   6          HG23      THR   6   4.763  10.402   2.414
   51    H    THR   7           H        THR   7   7.277  11.101  -1.344
   52    HA   THR   7           HA       THR   7   5.625  12.740  -3.192
   53    HB   THR   7           HB       THR   7   7.656  12.221  -4.791
   54    HG1  THR   7           HG1      THR   7   8.924  10.908  -3.501
   55   HG21  THR   7          HG21      THR   7   7.695  14.298  -2.559
   56   HG22  THR   7          HG22      THR   7   8.944  14.222  -3.829
   57   HG23  THR   7          HG23      THR   7   7.260  14.485  -4.270
   58    H    ASN   8           H        ASN   8   5.071  11.727  -5.184
   59    HA   ASN   8           HA       ASN   8   5.201   8.738  -5.353
   60    HB2  ASN   8           HB2      ASN   8   2.855  10.483  -6.158
   61    HB3  ASN   8           HB3      ASN   8   3.029   8.752  -6.451
   62   HD21  ASN   8          HD22      ASN   8   3.280   7.342  -4.338
   63   HD22  ASN   8          HD21      ASN   8   2.267   7.855  -3.007
   64    H    THR   9           H        THR   9   6.023   8.139  -7.329
   65    HA   THR   9           HA       THR   9   6.396  10.308  -9.330
   66    HB   THR   9           HB       THR   9   8.463   8.297  -8.411
   67    HG1  THR   9           HG1      THR   9   9.440   9.986  -7.456
   68   HG21  THR   9          HG21      THR   9   8.824   8.599 -10.757
   69   HG22  THR   9          HG22      THR   9   8.574  10.338 -10.660
   70   HG23  THR   9          HG23      THR   9  10.011   9.611  -9.909
   71    H    TRP  10           H        TRP  10   6.232   9.768 -11.429
   72    HA   TRP  10           HA       TRP  10   5.691   6.954 -12.205
   73    HB2  TRP  10           HB2      TRP  10   3.990   9.392 -12.884
   74    HB3  TRP  10           HB3      TRP  10   3.768   7.779 -13.558
   75    HD1  TRP  10           HD1      TRP  10   2.710   5.961 -11.972
   76    HE1  TRP  10           HE1      TRP  10   1.328   6.042  -9.827
   77    HE3  TRP  10           HE3      TRP  10   3.642  10.773 -10.698
   78    HZ2  TRP  10           HZ2      TRP  10   0.414   8.137  -7.987
   79    HZ3  TRP  10           HZ3      TRP  10   2.373  11.869  -8.869
   80    HH2  TRP  10           HH2      TRP  10   0.729  10.568  -7.523
   81    H    VAL  11           H        VAL  11   6.278   6.601 -14.427
   82    HA   VAL  11           HA       VAL  11   7.502   8.882 -15.814
   83    HB   VAL  11           HB       VAL  11   9.236   7.378 -14.986
   84   HG11  VAL  11          HG11      VAL  11   8.032   5.231 -14.984
   85   HG12  VAL  11          HG12      VAL  11   8.020   5.226 -16.762
   86   HG13  VAL  11          HG13      VAL  11   9.555   5.124 -15.880
   87   HG21  VAL  11          HG21      VAL  11   8.986   7.285 -18.030
   88   HG22  VAL  11          HG22      VAL  11   9.583   8.667 -17.084
   89   HG23  VAL  11          HG23      VAL  11  10.477   7.133 -17.081
   90    H    LEU  12           H        LEU  12   6.934   9.191 -17.925
   91    HA   LEU  12           HA       LEU  12   5.023   7.286 -19.149
   92    HB2  LEU  12           HB2      LEU  12   4.464   9.885 -18.128
   93    HB3  LEU  12           HB3      LEU  12   4.716  10.156 -19.837
   94    HG   LEU  12           HG       LEU  12   2.378   9.819 -19.355
   95   HD11  LEU  12          HD11      LEU  12   3.305   8.998 -21.513
   96   HD12  LEU  12          HD12      LEU  12   3.413   7.362 -20.829
   97   HD13  LEU  12          HD13      LEU  12   1.834   8.147 -21.005
   98   HD21  LEU  12          HD21      LEU  12   3.128   7.048 -18.293
   99   HD22  LEU  12          HD22      LEU  12   2.651   8.438 -17.316
  100   HD23  LEU  12          HD23      LEU  12   1.499   7.709 -18.473
  101    H    HIS  13           H        HIS  13   5.666   6.650 -21.132
  102    HA   HIS  13           HA       HIS  13   7.809   8.093 -22.495
  103    HB2  HIS  13           HB2      HIS  13   8.029   5.682 -22.508
  104    HB3  HIS  13           HB3      HIS  13   6.387   5.487 -23.129
  105    HD1  HIS  13           HD1      HIS  13   6.217   5.319 -25.738
  106    HD2  HIS  13           HD2      HIS  13   9.758   7.114 -24.326
  107    HE1  HIS  13           HE1      HIS  13   7.666   5.755 -27.781
  108    H    MET  14           H        MET  14   7.355   9.554 -24.121
  109    HA   MET  14           HA       MET  14   4.869   9.521 -25.598
  110    HB2  MET  14           HB2      MET  14   4.167  10.585 -23.486
  111    HB3  MET  14           HB3      MET  14   5.521  11.711 -23.579
  112    HG2  MET  14           HG2      MET  14   4.507  12.598 -25.731
  113    HG3  MET  14           HG3      MET  14   3.103  11.581 -25.408
  114    HE1  MET  14           HE1      MET  14   3.028  12.002 -22.008
  115    HE2  MET  14           HE2      MET  14   1.726  13.208 -22.054
  116    HE3  MET  14           HE3      MET  14   1.664  11.799 -23.132
  117    H    ASP  15           H        ASP  15   5.264  10.421 -27.581
  118    HA   ASP  15           HA       ASP  15   6.411  11.211 -29.326
  119    HB2  ASP  15           HB2      ASP  15   5.436  13.223 -28.287
  120    HB3  ASP  15           HB3      ASP  15   6.968  13.530 -27.463
  121    H    GLY  16           H        GLY  16   7.942   9.327 -27.964
  122    HA2  GLY  16           HA2      GLY  16  10.000   8.389 -28.314
  123    HA3  GLY  16           HA3      GLY  16  10.508   9.842 -29.178
  124    H    GLU  17           H        GLU  17   9.341  10.636 -26.035
  125    HA   GLU  17           HA       GLU  17  12.009  10.494 -24.815
  126    HB2  GLU  17           HB2      GLU  17  10.004  12.779 -24.828
  127    HB3  GLU  17           HB3      GLU  17  11.196  12.600 -23.539
  128    HG2  GLU  17           HG2      GLU  17  13.023  12.594 -25.204
  129    HG3  GLU  17           HG3      GLU  17  11.851  12.854 -26.501
  130    H    ASN  18           H        ASN  18  11.853  10.577 -22.388
  131    HA   ASN  18           HA       ASN  18   9.386   9.309 -21.362
  132    HB2  ASN  18           HB2      ASN  18  12.268   8.682 -20.675
  133    HB3  ASN  18           HB3      ASN  18  10.998   8.504 -19.476
  134   HD21  ASN  18          HD22      ASN  18  12.279   7.158 -22.498
  135   HD22  ASN  18          HD21      ASN  18  11.264   5.739 -22.484
  136    H    PHE  19           H        PHE  19   8.327  10.604 -20.023
  137    HA   PHE  19           HA       PHE  19   9.806  12.893 -18.763
  138    HB2  PHE  19           HB2      PHE  19   6.827  12.593 -19.323
  139    HB3  PHE  19           HB3      PHE  19   7.627  14.004 -18.654
  140    HD1  PHE  19           HD1      PHE  19   9.850  14.708 -20.267
  141    HD2  PHE  19           HD2      PHE  19   6.162  12.870 -21.552
  142    HE1  PHE  19           HE1      PHE  19  10.194  15.616 -22.536
  143    HE2  PHE  19           HE2      PHE  19   6.510  13.808 -23.829
  144    HZ   PHE  19           HZ       PHE  19   8.522  15.173 -24.325
  145    H    ARG  20           H        ARG  20  10.051  12.807 -16.556
  146    HA   ARG  20           HA       ARG  20   8.488  10.850 -15.010
  147    HB2  ARG  20           HB2      ARG  20  10.916  12.511 -14.332
  148    HB3  ARG  20           HB3      ARG  20   9.908  11.710 -13.113
  149    HG2  ARG  20           HG2      ARG  20  10.151   9.643 -14.859
  150    HG3  ARG  20           HG3      ARG  20  11.689  10.475 -15.195
  151    HD2  ARG  20           HD2      ARG  20  12.107  10.438 -12.705
  152    HD3  ARG  20           HD3      ARG  20  10.560   9.547 -12.543
  153    HE   ARG  20           HE       ARG  20  12.107   8.104 -14.379
  154   HH11  ARG  20          HH21      ARG  20  12.579   9.051 -10.980
  155   HH12  ARG  20          HH22      ARG  20  13.482   7.638 -10.575
  156   HH21  ARG  20          HH11      ARG  20  13.324   6.232 -13.834
  157   HH22  ARG  20          HH12      ARG  20  13.924   6.013 -12.235
  158    H    ILE  21           H        ILE  21   6.858  11.339 -13.813
  159    HA   ILE  21           HA       ILE  21   6.054  14.134 -13.307
  160    HB   ILE  21           HB       ILE  21   4.591  11.469 -13.281
  161   HG12  ILE  21          HG12      ILE  21   3.191  12.194 -14.966
  162   HG13  ILE  21          HG13      ILE  21   3.611  13.892 -14.775
  163   HG21  ILE  21          HG21      ILE  21   2.578  12.499 -12.473
  164   HG22  ILE  21          HG22      ILE  21   3.826  12.904 -11.294
  165   HG23  ILE  21          HG23      ILE  21   3.323  14.113 -12.479
  166   HD11  ILE  21          HD11      ILE  21   5.444  11.809 -15.999
  167   HD12  ILE  21          HD12      ILE  21   4.381  12.897 -16.899
  168   HD13  ILE  21          HD13      ILE  21   5.696  13.587 -15.924
  169    H    VAL  22           H        VAL  22   6.322  14.738 -11.163
  170    HA   VAL  22           HA       VAL  22   6.368  12.614  -9.143
  171    HB   VAL  22           HB       VAL  22   8.168  15.065  -9.091
  172   HG11  VAL  22          HG11      VAL  22   7.906  12.690  -7.197
  173   HG12  VAL  22          HG12      VAL  22   9.151  13.952  -7.083
  174   HG13  VAL  22          HG13      VAL  22   7.448  14.366  -6.836
  175   HG21  VAL  22          HG21      VAL  22  10.053  13.490  -9.288
  176   HG22  VAL  22          HG22      VAL  22   8.910  12.151  -9.488
  177   HG23  VAL  22          HG23      VAL  22   9.024  13.431 -10.726
  178    H    LEU  23           H        LEU  23   4.817  12.979  -7.666
  179    HA   LEU  23           HA       LEU  23   3.547  15.686  -7.473
  180    HB2  LEU  23           HB2      LEU  23   1.977  13.884  -7.785
  181    HB3  LEU  23           HB3      LEU  23   2.772  12.896  -6.562
  182    HG   LEU  23           HG       LEU  23   2.105  14.563  -4.785
  183   HD11  LEU  23          HD11      LEU  23   0.155  16.056  -5.390
  184   HD12  LEU  23          HD12      LEU  23   1.721  16.591  -6.010
  185   HD13  LEU  23          HD13      LEU  23   0.551  15.804  -7.101
  186   HD21  LEU  23          HD21      LEU  23  -0.123  13.788  -4.548
  187   HD22  LEU  23          HD22      LEU  23  -0.257  13.432  -6.285
  188   HD23  LEU  23          HD23      LEU  23   0.831  12.474  -5.242
  189    H    GLU  24           H        GLU  24   4.196  16.974  -5.755
  190    HA   GLU  24           HA       GLU  24   5.633  15.680  -3.469
  191    HB2  GLU  24           HB2      GLU  24   5.514  18.521  -4.510
  192    HB3  GLU  24           HB3      GLU  24   5.548  18.269  -2.758
  193    HG2  GLU  24           HG2      GLU  24   7.521  16.810  -2.945
  194    HG3  GLU  24           HG3      GLU  24   7.567  17.057  -4.681
  195    H    LYS  25           H        LYS  25   4.373  14.898  -1.903
  196    HA   LYS  25           HA       LYS  25   1.539  15.133  -2.189
  197    HB2  LYS  25           HB2      LYS  25   3.203  13.995   0.055
  198    HB3  LYS  25           HB3      LYS  25   1.441  13.859  -0.067
  199    HG2  LYS  25           HG2      LYS  25   1.557  12.625  -2.146
  200    HG3  LYS  25           HG3      LYS  25   3.294  12.918  -2.297
  201    HD2  LYS  25           HD2      LYS  25   3.154  10.733  -1.510
  202    HD3  LYS  25           HD3      LYS  25   3.611  11.707  -0.104
  203    HE2  LYS  25           HE2      LYS  25   1.181  11.723   0.617
  204    HE3  LYS  25           HE3      LYS  25   0.766  10.773  -0.813
  205    HZ1  LYS  25           HZ1      LYS  25   2.208   8.968   0.112
  206    HZ2  LYS  25           HZ2      LYS  25   2.416   9.849   1.488
  207    HZ3  LYS  25           HZ3      LYS  25   0.936   9.322   1.070
  208    H    ASP  26           H        ASP  26   3.863  16.780  -0.009
  209    HA   ASP  26           HA       ASP  26   1.938  17.738   1.839
  210    HB2  ASP  26           HB2      ASP  26   4.316  17.675   2.364
  211    HB3  ASP  26           HB3      ASP  26   4.652  18.871   1.101
  212    H    ALA  27           H        ALA  27   3.343  19.236  -1.076
  213    HA   ALA  27           HA       ALA  27   1.692  21.615  -0.797
  214    HB1  ALA  27           HB1      ALA  27   4.077  21.760  -1.397
  215    HB2  ALA  27           HB2      ALA  27   3.764  20.826  -2.885
  216    HB3  ALA  27           HB3      ALA  27   3.040  22.434  -2.671
  217    H    MET  28           H        MET  28   1.422  18.565  -2.416
  218    HA   MET  28           HA       MET  28   0.268  17.725  -4.066
  219    HB2  MET  28           HB2      MET  28  -1.789  19.826  -3.333
  220    HB3  MET  28           HB3      MET  28  -2.066  18.585  -4.550
  221    HG2  MET  28           HG2      MET  28  -1.360  18.053  -1.653
  222    HG3  MET  28           HG3      MET  28  -2.971  17.948  -2.354
  223    HE1  MET  28           HE1      MET  28  -2.559  16.397  -5.158
  224    HE2  MET  28           HE2      MET  28  -2.793  14.732  -4.586
  225    HE3  MET  28           HE3      MET  28  -3.822  16.037  -3.957
  226    H    ASP  29           H        ASP  29   2.385  19.215  -4.786
  227    HA   ASP  29           HA       ASP  29   1.550  20.784  -7.161
  228    HB2  ASP  29           HB2      ASP  29   3.044  21.817  -5.295
  229    HB3  ASP  29           HB3      ASP  29   4.332  20.830  -5.998
  230    H    VAL  30           H        VAL  30   2.436  20.170  -9.187
  231    HA   VAL  30           HA       VAL  30   3.637  17.467  -9.180
  232    HB   VAL  30           HB       VAL  30   1.199  17.681  -9.855
  233   HG11  VAL  30          HG11      VAL  30   2.325  18.558 -12.536
  234   HG12  VAL  30          HG12      VAL  30   0.649  18.163 -12.136
  235   HG13  VAL  30          HG13      VAL  30   1.407  19.603 -11.430
  236   HG21  VAL  30          HG21      VAL  30   2.522  15.666 -10.154
  237   HG22  VAL  30          HG22      VAL  30   1.531  15.921 -11.603
  238   HG23  VAL  30          HG23      VAL  30   3.268  16.322 -11.623
  239    H    TRP  31           H        TRP  31   5.628  17.477  -9.742
  240    HA   TRP  31           HA       TRP  31   6.810  19.447 -11.545
  241    HB2  TRP  31           HB2      TRP  31   8.275  17.143 -10.246
  242    HB3  TRP  31           HB3      TRP  31   8.827  18.766 -10.602
  243    HD1  TRP  31           HD1      TRP  31   7.039  16.686  -7.960
  244    HE1  TRP  31           HE1      TRP  31   6.463  18.043  -5.919
  245    HE3  TRP  31           HE3      TRP  31   8.673  21.177  -9.560
  246    HZ2  TRP  31           HZ2      TRP  31   6.781  20.778  -4.986
  247    HZ3  TRP  31           HZ3      TRP  31   8.744  23.141  -7.987
  248    HH2  TRP  31           HH2      TRP  31   7.736  22.953  -5.723
  249    H    CYS  32           H        CYS  32   6.383  18.920 -13.691
  250    HA   CYS  32           HA       CYS  32   6.605  16.033 -14.522
  251    HB2  CYS  32           HB2      CYS  32   5.055  18.330 -15.748
  252    HB3  CYS  32           HB3      CYS  32   5.179  16.688 -16.427
  253    HG   CYS  32           HG       CYS  32   4.041  17.658 -13.474
  254    H    ASN  33           H        ASN  33   8.437  15.621 -15.593
  255    HA   ASN  33           HA       ASN  33  10.527  15.923 -16.376
  256    HB2  ASN  33           HB2      ASN  33   9.225  16.385 -18.458
  257    HB3  ASN  33           HB3      ASN  33   9.314  18.108 -18.102
  258   HD21  ASN  33          HD22      ASN  33  11.601  15.244 -18.396
  259   HD22  ASN  33          HD21      ASN  33  12.818  16.163 -19.232
  260    H    GLY  34           H        GLY  34   9.978  17.114 -13.927
  261    HA2  GLY  34           HA2      GLY  34  11.156  18.289 -12.371
  262    HA3  GLY  34           HA3      GLY  34  12.263  18.824 -13.638
  263    H    LYS  35           H        LYS  35   9.222  19.829 -14.727
  264    HA   LYS  35           HA       LYS  35   9.587  22.530 -13.492
  265    HB2  LYS  35           HB2      LYS  35   8.360  21.670 -16.145
  266    HB3  LYS  35           HB3      LYS  35   8.384  23.325 -15.527
  267    HG2  LYS  35           HG2      LYS  35  10.851  23.343 -15.545
  268    HG3  LYS  35           HG3      LYS  35  10.880  21.663 -16.120
  269    HD2  LYS  35           HD2      LYS  35   9.670  22.322 -18.169
  270    HD3  LYS  35           HD3      LYS  35   9.640  24.016 -17.618
  271    HE2  LYS  35           HE2      LYS  35  12.126  24.040 -17.576
  272    HE3  LYS  35           HE3      LYS  35  12.158  22.356 -18.119
  273    HZ1  LYS  35           HZ1      LYS  35  11.060  24.631 -19.683
  274    HZ2  LYS  35           HZ2      LYS  35  12.485  23.886 -19.957
  275    HZ3  LYS  35           HZ3      LYS  35  11.092  23.073 -20.191
  276    H    LYS  36           H        LYS  36   7.748  23.565 -12.512
  277    HA   LYS  36           HA       LYS  36   5.492  21.898 -11.851
  278    HB2  LYS  36           HB2      LYS  36   5.847  24.913 -11.752
  279    HB3  LYS  36           HB3      LYS  36   4.515  24.028 -11.002
  280    HG2  LYS  36           HG2      LYS  36   5.801  23.206  -9.267
  281    HG3  LYS  36           HG3      LYS  36   7.287  23.196 -10.206
  282    HD2  LYS  36           HD2      LYS  36   7.402  24.898  -8.489
  283    HD3  LYS  36           HD3      LYS  36   7.483  25.577 -10.136
  284    HE2  LYS  36           HE2      LYS  36   5.086  26.254  -9.943
  285    HE3  LYS  36           HE3      LYS  36   4.980  25.474  -8.358
  286    HZ1  LYS  36           HZ1      LYS  36   5.280  27.857  -8.156
  287    HZ2  LYS  36           HZ2      LYS  36   6.575  27.097  -7.515
  288    HZ3  LYS  36           HZ3      LYS  36   6.686  27.821  -8.984
  289    H    LEU  37           H        LEU  37   3.388  21.974 -12.784
  290    HA   LEU  37           HA       LEU  37   2.865  23.866 -14.928
  291    HB2  LEU  37           HB2      LEU  37   1.866  22.215 -16.391
  292    HB3  LEU  37           HB3      LEU  37   3.603  22.051 -16.154
  293    HG   LEU  37           HG       LEU  37   3.204  20.218 -14.556
  294   HD11  LEU  37          HD11      LEU  37   0.335  20.404 -15.543
  295   HD12  LEU  37          HD12      LEU  37   1.017  18.954 -14.766
  296   HD13  LEU  37          HD13      LEU  37   0.905  20.451 -13.862
  297   HD21  LEU  37          HD21      LEU  37   2.147  19.876 -17.403
  298   HD22  LEU  37          HD22      LEU  37   3.850  19.828 -16.884
  299   HD23  LEU  37          HD23      LEU  37   2.727  18.556 -16.373
  300    H    GLU  38           H        GLU  38   0.427  23.835 -15.413
  301    HA   GLU  38           HA       GLU  38  -0.758  24.421 -12.888
  302    HB2  GLU  38           HB2      GLU  38  -2.649  25.244 -14.143
  303    HB3  GLU  38           HB3      GLU  38  -1.130  25.842 -14.810
  304    HG2  GLU  38           HG2      GLU  38  -1.282  24.081 -16.612
  305    HG3  GLU  38           HG3      GLU  38  -2.859  23.609 -15.976
  306    H    THR  39           H        THR  39  -2.513  23.517 -11.864
  307    HA   THR  39           HA       THR  39  -3.533  20.864 -12.739
  308    HB   THR  39           HB       THR  39  -3.418  20.328 -10.222
  309    HG1  THR  39           HG1      THR  39  -2.531  22.251  -9.414
  310   HG21  THR  39          HG21      THR  39  -2.262  19.074 -11.944
  311   HG22  THR  39          HG22      THR  39  -0.938  20.258 -11.985
  312   HG23  THR  39          HG23      THR  39  -1.203  19.259 -10.539
  313    H    ALA  40           H        ALA  40  -5.613  20.407 -12.040
  314    HA   ALA  40           HA       ALA  40  -7.067  22.492 -10.478
  315    HB1  ALA  40           HB1      ALA  40  -7.851  22.637 -12.818
  316    HB2  ALA  40           HB2      ALA  40  -8.165  20.882 -12.829
  317    HB3  ALA  40           HB3      ALA  40  -9.100  21.949 -11.756
  318    H    GLY  41           H        GLY  41  -8.324  21.545  -8.808
  319    HA2  GLY  41           HA2      GLY  41  -7.730  18.658  -8.280
  320    HA3  GLY  41           HA3      GLY  41  -7.990  19.908  -7.054
  321    H    GLU  42           H        GLU  42  -9.544  17.718  -9.340
  322    HA   GLU  42           HA       GLU  42 -12.176  18.882  -8.843
  323    HB2  GLU  42           HB2      GLU  42 -11.571  18.020 -11.093
  324    HB3  GLU  42           HB3      GLU  42 -11.313  16.406 -10.383
  325    HG2  GLU  42           HG2      GLU  42 -13.408  16.545 -11.537
  326    HG3  GLU  42           HG3      GLU  42 -13.641  16.213  -9.822
  327    H    PHE  43           H        PHE  43 -13.747  17.735  -7.627
  328    HA   PHE  43           HA       PHE  43 -12.659  15.635  -5.791
  329    HB2  PHE  43           HB2      PHE  43 -14.625  17.845  -5.126
  330    HB3  PHE  43           HB3      PHE  43 -14.258  16.464  -4.096
  331    HD1  PHE  43           HD2      PHE  43 -11.846  16.108  -3.290
  332    HD2  PHE  43           HD1      PHE  43 -13.182  19.786  -5.110
  333    HE1  PHE  43           HE2      PHE  43  -9.911  17.303  -2.302
  334    HE2  PHE  43           HE1      PHE  43 -11.238  20.973  -4.127
  335    HZ   PHE  43           HZ       PHE  43  -9.608  19.740  -2.710
  336    H    VAL  44           H        VAL  44 -13.751  13.779  -5.748
  337    HA   VAL  44           HA       VAL  44 -16.341  13.571  -7.153
  338    HB   VAL  44           HB       VAL  44 -15.270  11.331  -7.928
  339   HG11  VAL  44          HG11      VAL  44 -15.977  13.116  -9.396
  340   HG12  VAL  44          HG12      VAL  44 -14.413  13.955  -9.185
  341   HG13  VAL  44          HG13      VAL  44 -14.481  12.373  -9.993
  342   HG21  VAL  44          HG21      VAL  44 -12.915  11.257  -8.318
  343   HG22  VAL  44          HG22      VAL  44 -12.665  12.862  -7.616
  344   HG23  VAL  44          HG23      VAL  44 -13.201  11.500  -6.587
  345    H    ASP  45           H        ASP  45 -17.326  11.429  -6.773
  346    HA   ASP  45           HA       ASP  45 -17.493  10.895  -3.921
  347    HB2  ASP  45           HB2      ASP  45 -19.522  11.059  -5.273
  348    HB3  ASP  45           HB3      ASP  45 -19.009   9.677  -6.247
  349    H    ASP  46           H        ASP  46 -15.080  10.402  -4.457
  350    HA   ASP  46           HA       ASP  46 -14.462   7.547  -4.315
  351    HB2  ASP  46           HB2      ASP  46 -14.722   7.762  -6.718
  352    HB3  ASP  46           HB3      ASP  46 -13.839   9.278  -6.743
  353    H    GLY  47           H        GLY  47 -13.418  10.994  -4.536
  354    HA2  GLY  47           HA2      GLY  47 -11.779  11.379  -2.506
  355    HA3  GLY  47           HA3      GLY  47 -10.731  10.407  -3.541
  356    H    THR  48           H        THR  48  -9.462  11.713  -4.840
  357    HA   THR  48           HA       THR  48 -10.641  14.239  -5.869
  358    HB   THR  48           HB       THR  48  -7.760  14.094  -5.021
  359    HG1  THR  48           HG1      THR  48  -8.889  13.634  -3.110
  360   HG21  THR  48          HG21      THR  48  -8.003  16.525  -4.722
  361   HG22  THR  48          HG22      THR  48  -8.389  16.027  -6.372
  362   HG23  THR  48          HG23      THR  48  -9.698  16.414  -5.233
  363    H    GLU  49           H        GLU  49  -9.773  14.875  -7.896
  364    HA   GLU  49           HA       GLU  49  -7.880  13.057  -9.201
  365    HB2  GLU  49           HB2      GLU  49 -10.543  13.908 -10.375
  366    HB3  GLU  49           HB3      GLU  49  -9.177  13.331 -11.360
  367    HG2  GLU  49           HG2      GLU  49  -9.096  11.236 -10.086
  368    HG3  GLU  49           HG3      GLU  49 -10.441  11.756  -9.073
  369    H    THR  50           H        THR  50  -6.152  14.326  -9.339
  370    HA   THR  50           HA       THR  50  -6.408  17.254  -9.639
  371    HB   THR  50           HB       THR  50  -4.020  15.405  -9.321
  372    HG1  THR  50           HG1      THR  50  -5.282  15.601  -7.435
  373   HG21  THR  50          HG21      THR  50  -3.410  17.508 -10.551
  374   HG22  THR  50          HG22      THR  50  -4.051  18.445  -9.189
  375   HG23  THR  50          HG23      THR  50  -2.646  17.353  -8.970
  376    H    HIS  51           H        HIS  51  -6.920  17.804 -11.771
  377    HA   HIS  51           HA       HIS  51  -6.058  16.055 -13.992
  378    HB2  HIS  51           HB2      HIS  51  -7.982  18.407 -13.823
  379    HB3  HIS  51           HB3      HIS  51  -7.542  17.608 -15.328
  380    HD1  HIS  51           HD1      HIS  51  -8.506  15.107 -15.725
  381    HD2  HIS  51           HD2      HIS  51  -9.790  17.119 -12.250
  382    HE1  HIS  51           HE1      HIS  51 -10.467  13.775 -14.794
  383    H    PHE  52           H        PHE  52  -4.698  16.699 -15.659
  384    HA   PHE  52           HA       PHE  52  -3.918  19.419 -16.131
  385    HB2  PHE  52           HB2      PHE  52  -1.464  18.976 -15.876
  386    HB3  PHE  52           HB3      PHE  52  -2.348  19.123 -14.389
  387    HD1  PHE  52           HD2      PHE  52  -2.907  17.109 -13.008
  388    HD2  PHE  52           HD1      PHE  52  -0.117  16.967 -16.308
  389    HE1  PHE  52           HE2      PHE  52  -1.887  15.097 -12.042
  390    HE2  PHE  52           HE1      PHE  52   0.902  14.929 -15.308
  391    HZ   PHE  52           HZ       PHE  52   0.048  14.005 -13.183
  392    H    SER  53           H        SER  53  -1.788  18.927 -17.856
  393    HA   SER  53           HA       SER  53  -2.408  16.664 -19.568
  394    HB2  SER  53           HB2      SER  53  -2.525  19.496 -20.695
  395    HB3  SER  53           HB3      SER  53  -2.661  17.982 -21.612
  396    HG   SER  53           HG       SER  53  -4.715  18.987 -21.147
  397    H    ILE  54           H        ILE  54  -0.683  16.236 -21.036
  398    HA   ILE  54           HA       ILE  54   1.788  17.836 -20.825
  399    HB   ILE  54           HB       ILE  54   1.594  14.832 -20.279
  400   HG12  ILE  54          HG12      ILE  54   2.605  17.092 -18.486
  401   HG13  ILE  54          HG13      ILE  54   1.024  16.326 -18.331
  402   HG21  ILE  54          HG21      ILE  54   4.044  14.845 -20.097
  403   HG22  ILE  54          HG22      ILE  54   3.589  15.436 -21.687
  404   HG23  ILE  54          HG23      ILE  54   4.100  16.586 -20.437
  405   HD11  ILE  54          HD11      ILE  54   3.666  14.937 -17.874
  406   HD12  ILE  54          HD12      ILE  54   2.453  15.450 -16.687
  407   HD13  ILE  54          HD13      ILE  54   2.043  14.166 -17.839
  408    H    GLY  55           H        GLY  55   2.395  18.196 -22.920
  409    HA2  GLY  55           HA2      GLY  55   2.285  18.142 -25.228
  410    HA3  GLY  55           HA3      GLY  55   2.121  16.378 -25.104
  411    H    ASN  56           H        ASN  56   0.378  15.923 -26.390
  412    HA   ASN  56           HA       ASN  56  -2.077  17.527 -26.311
  413    HB2  ASN  56           HB2      ASN  56  -1.105  16.641 -28.431
  414    HB3  ASN  56           HB3      ASN  56  -1.367  14.996 -27.849
  415   HD21  ASN  56          HD22      ASN  56  -3.208  18.094 -28.431
  416   HD22  ASN  56          HD21      ASN  56  -4.652  17.291 -28.997
  417    H    HIS  57           H        HIS  57  -0.930  15.254 -24.144
  418    HA   HIS  57           HA       HIS  57  -3.367  13.551 -24.109
  419    HB2  HIS  57           HB2      HIS  57  -0.701  13.196 -22.696
  420    HB3  HIS  57           HB3      HIS  57  -2.052  12.071 -22.683
  421    HD1  HIS  57           HD1      HIS  57  -2.003  10.255 -24.609
  422    HD2  HIS  57           HD2      HIS  57   0.541  13.559 -25.199
  423    HE1  HIS  57           HE1      HIS  57  -0.557   9.702 -26.629
  424    H    ASP  58           H        ASP  58  -4.807  13.728 -22.392
  425    HA   ASP  58           HA       ASP  58  -4.190  15.666 -20.259
  426    HB2  ASP  58           HB2      ASP  58  -6.314  15.681 -19.612
  427    HB3  ASP  58           HB3      ASP  58  -6.530  15.409 -21.336
  428    H    CYS  59           H        CYS  59  -4.153  15.055 -18.055
  429    HA   CYS  59           HA       CYS  59  -3.633  12.220 -17.421
  430    HB2  CYS  59           HB2      CYS  59  -1.911  14.417 -16.281
  431    HB3  CYS  59           HB3      CYS  59  -1.602  12.683 -16.320
  432    HG   CYS  59           HG       CYS  59  -1.711  14.845 -18.783
  433    H    TYR  60           H        TYR  60  -4.119  11.786 -15.137
  434    HA   TYR  60           HA       TYR  60  -4.582  14.110 -13.540
  435    HB2  TYR  60           HB2      TYR  60  -6.789  13.547 -12.698
  436    HB3  TYR  60           HB3      TYR  60  -6.796  13.878 -14.419
  437    HD1  TYR  60           HD1      TYR  60  -6.845  11.028 -11.977
  438    HD2  TYR  60           HD2      TYR  60  -7.829  12.426 -15.932
  439    HE1  TYR  60           HE1      TYR  60  -8.201   8.991 -12.364
  440    HE2  TYR  60           HE2      TYR  60  -9.317  10.470 -16.261
  441    HH   TYR  60           HH       TYR  60 -10.129   8.461 -15.346
  442    H    ILE  61           H        ILE  61  -4.142  13.775 -11.348
  443    HA   ILE  61           HA       ILE  61  -3.184  11.013 -10.718
  444    HB   ILE  61           HB       ILE  61  -2.877  13.574  -9.140
  445   HG12  ILE  61          HG12      ILE  61  -0.630  11.848 -10.247
  446   HG13  ILE  61          HG13      ILE  61  -1.420  12.995 -11.313
  447   HG21  ILE  61          HG21      ILE  61  -1.974  10.711  -8.529
  448   HG22  ILE  61          HG22      ILE  61  -1.436  12.148  -7.646
  449   HG23  ILE  61          HG23      ILE  61  -3.133  11.685  -7.593
  450   HD11  ILE  61          HD11      ILE  61   0.551  13.999 -10.307
  451   HD12  ILE  61          HD12      ILE  61  -0.917  14.867  -9.778
  452   HD13  ILE  61          HD13      ILE  61  -0.105  13.727  -8.683
  453    H    LYS  62           H        LYS  62  -4.685   9.694  -9.998
  454    HA   LYS  62           HA       LYS  62  -7.227  10.673  -8.833
  455    HB2  LYS  62           HB2      LYS  62  -6.984   8.798 -10.579
  456    HB3  LYS  62           HB3      LYS  62  -6.245   7.813  -9.322
  457    HG2  LYS  62           HG2      LYS  62  -8.308   7.878  -8.018
  458    HG3  LYS  62           HG3      LYS  62  -9.026   9.052  -9.128
  459    HD2  LYS  62           HD2      LYS  62  -8.889   7.393 -10.993
  460    HD3  LYS  62           HD3      LYS  62  -8.143   6.228  -9.907
  461    HE2  LYS  62           HE2      LYS  62 -10.536   5.784 -10.355
  462    HE3  LYS  62           HE3      LYS  62 -10.182   5.977  -8.631
  463    HZ1  LYS  62           HZ1      LYS  62 -12.207   7.165  -9.590
  464    HZ2  LYS  62           HZ2      LYS  62 -11.243   7.997  -8.563
  465    HZ3  LYS  62           HZ3      LYS  62 -11.172   8.298 -10.191
  466    H    ALA  63           H        ALA  63  -7.426  10.789  -6.654
  467    HA   ALA  63           HA       ALA  63  -5.404   9.467  -4.944
  468    HB1  ALA  63           HB1      ALA  63  -4.948  11.901  -5.132
  469    HB2  ALA  63           HB2      ALA  63  -6.618  12.233  -4.600
  470    HB3  ALA  63           HB3      ALA  63  -5.470  11.439  -3.504
  471    H    VAL  64           H        VAL  64  -6.738   7.767  -4.438
  472    HA   VAL  64           HA       VAL  64  -9.600   8.149  -4.181
  473    HB   VAL  64           HB       VAL  64  -7.967   5.593  -3.726
  474   HG11  VAL  64          HG11      VAL  64 -10.019   4.438  -4.427
  475   HG12  VAL  64          HG12      VAL  64 -10.282   5.449  -3.004
  476   HG13  VAL  64          HG13      VAL  64 -10.844   6.006  -4.592
  477   HG21  VAL  64          HG21      VAL  64  -7.316   6.428  -5.933
  478   HG22  VAL  64          HG22      VAL  64  -8.328   4.989  -6.073
  479   HG23  VAL  64          HG23      VAL  64  -9.046   6.585  -6.378
  480    H    SER  65           H        SER  65 -10.647   8.365  -2.170
  481    HA   SER  65           HA       SER  65  -9.104   8.464   0.216
  482    HB2  SER  65           HB2      SER  65 -12.105   8.678  -0.158
  483    HB3  SER  65           HB3      SER  65 -11.166   9.179   1.266
  484    HG   SER  65           HG       SER  65 -11.510  10.970  -0.067
  485    H    SER  66           H        SER  66  -8.982   5.792  -0.831
  486    HA   SER  66           HA       SER  66 -10.516   3.998   0.860
  487    HB2  SER  66           HB2      SER  66  -7.900   3.654  -0.673
  488    HB3  SER  66           HB3      SER  66  -8.839   2.340   0.074
  489    HG   SER  66           HG       SER  66  -9.396   2.470  -2.100
  490    H    GLY  67           H        GLY  67  -9.608   2.838   2.698
  491    HA2  GLY  67           HA2      GLY  67  -8.411   2.608   4.649
  492    HA3  GLY  67           HA3      GLY  67  -7.085   3.490   3.887
  493    H    LYS  68           H        LYS  68  -6.665   4.665   5.832
  494    HA   LYS  68           HA       LYS  68  -8.699   6.301   7.099
  495    HB2  LYS  68           HB2      LYS  68  -5.646   6.498   7.228
  496    HB3  LYS  68           HB3      LYS  68  -6.769   7.337   8.292
  497    HG2  LYS  68           HG2      LYS  68  -6.385   4.319   8.121
  498    HG3  LYS  68           HG3      LYS  68  -5.766   5.389   9.375
  499    HD2  LYS  68           HD2      LYS  68  -8.120   5.979  10.003
  500    HD3  LYS  68           HD3      LYS  68  -8.704   4.789   8.810
  501    HE2  LYS  68           HE2      LYS  68  -7.451   2.998   9.989
  502    HE3  LYS  68           HE3      LYS  68  -6.854   4.180  11.161
  503    HZ1  LYS  68           HZ1      LYS  68  -8.754   2.972  12.023
  504    HZ2  LYS  68           HZ2      LYS  68  -9.159   4.543  11.863
  505    HZ3  LYS  68           HZ3      LYS  68  -9.707   3.439  10.780
  506    H    ARG  69           H        ARG  69  -9.257   8.426   6.674
  507    HA   ARG  69           HA       ARG  69  -8.686   9.358   3.984
  508    HB2  ARG  69           HB2      ARG  69 -10.322  10.377   6.330
  509    HB3  ARG  69           HB3      ARG  69 -10.028  11.422   4.952
  510    HG2  ARG  69           HG2      ARG  69 -12.179  10.276   4.793
  511    HG3  ARG  69           HG3      ARG  69 -11.123   9.966   3.420
  512    HD2  ARG  69           HD2      ARG  69 -10.639   7.720   4.200
  513    HD3  ARG  69           HD3      ARG  69 -11.490   8.017   5.735
  514    HE   ARG  69           HE       ARG  69 -13.371   8.542   3.778
  515   HH11  ARG  69          HH11      ARG  69 -11.394   5.670   4.559
  516   HH12  ARG  69          HH12      ARG  69 -12.678   4.552   4.246
  517   HH21  ARG  69          HH21      ARG  69 -15.008   7.037   3.234
  518   HH22  ARG  69          HH22      ARG  69 -14.742   5.341   3.402
  519    H    LYS  70           H        LYS  70  -7.057   9.925   7.020
  520    HA   LYS  70           HA       LYS  70  -6.154  12.550   6.453
  521    HB2  LYS  70           HB2      LYS  70  -6.242  11.467   8.672
  522    HB3  LYS  70           HB3      LYS  70  -4.860  10.456   8.264
  523    HG2  LYS  70           HG2      LYS  70  -4.604  13.469   8.018
  524    HG3  LYS  70           HG3      LYS  70  -4.682  12.757   9.629
  525    HD2  LYS  70           HD2      LYS  70  -2.750  11.314   9.143
  526    HD3  LYS  70           HD3      LYS  70  -2.615  12.023   7.520
  527    HE2  LYS  70           HE2      LYS  70  -2.203  14.240   8.466
  528    HE3  LYS  70           HE3      LYS  70  -2.507  13.648  10.104
  529    HZ1  LYS  70           HZ1      LYS  70  -0.131  13.837   9.593
  530    HZ2  LYS  70           HZ2      LYS  70  -0.527  12.291   9.946
  531    HZ3  LYS  70           HZ3      LYS  70  -0.256  12.728   8.385
  532    H    GLU  71           H        GLU  71  -4.350   9.440   6.052
  533    HA   GLU  71           HA       GLU  71  -2.962  10.617   3.741
  534    HB2  GLU  71           HB2      GLU  71  -1.749   9.903   6.368
  535    HB3  GLU  71           HB3      GLU  71  -0.882   9.295   4.963
  536    HG2  GLU  71           HG2      GLU  71  -0.800  11.569   3.989
  537    HG3  GLU  71           HG3      GLU  71  -1.610  12.209   5.417
  538    H    GLY  72           H        GLY  72  -4.805   8.031   4.750
  539    HA2  GLY  72           HA2      GLY  72  -3.288   5.819   3.657
  540    HA3  GLY  72           HA3      GLY  72  -5.007   5.862   4.112
  541    H    ILE  73           H        ILE  73  -5.084   8.336   2.293
  542    HA   ILE  73           HA       ILE  73  -6.493   7.448   0.158
  543    HB   ILE  73           HB       ILE  73  -4.728   9.902   0.460
  544   HG12  ILE  73          HG12      ILE  73  -7.464   9.071   1.385
  545   HG13  ILE  73          HG13      ILE  73  -6.234  10.029   2.184
  546   HG21  ILE  73          HG21      ILE  73  -5.970  10.987  -1.294
  547   HG22  ILE  73          HG22      ILE  73  -5.281   9.511  -1.954
  548   HG23  ILE  73          HG23      ILE  73  -7.006   9.567  -1.526
  549   HD11  ILE  73          HD11      ILE  73  -8.144  10.982   0.017
  550   HD12  ILE  73          HD12      ILE  73  -8.194  11.355   1.749
  551   HD13  ILE  73          HD13      ILE  73  -6.844  11.966   0.768
  552    H    ILE  74           H        ILE  74  -6.046   6.455  -1.797
  553    HA   ILE  74           HA       ILE  74  -3.252   5.608  -2.208
  554    HB   ILE  74           HB       ILE  74  -5.861   4.732  -3.508
  555   HG12  ILE  74          HG12      ILE  74  -5.704   4.044  -1.173
  556   HG13  ILE  74          HG13      ILE  74  -5.638   2.673  -2.268
  557   HG21  ILE  74          HG21      ILE  74  -4.128   4.408  -5.158
  558   HG22  ILE  74          HG22      ILE  74  -3.048   3.661  -3.962
  559   HG23  ILE  74          HG23      ILE  74  -4.537   2.837  -4.466
  560   HD11  ILE  74          HD11      ILE  74  -4.087   2.387  -0.399
  561   HD12  ILE  74          HD12      ILE  74  -3.174   2.514  -1.910
  562   HD13  ILE  74          HD13      ILE  74  -3.265   3.902  -0.792
  563    H    HIS  75           H        HIS  75  -1.973   6.705  -3.653
  564    HA   HIS  75           HA       HIS  75  -3.300   8.597  -5.525
  565    HB2  HIS  75           HB2      HIS  75  -0.494   8.501  -4.389
  566    HB3  HIS  75           HB3      HIS  75  -0.978   9.536  -5.731
  567    HD1  HIS  75           HD1      HIS  75  -2.037   9.057  -1.988
  568    HD2  HIS  75           HD2      HIS  75  -2.038  11.825  -5.165
  569    HE1  HIS  75           HE1      HIS  75  -2.798  11.285  -1.019
  570    H    THR  76           H        THR  76  -3.318   8.147  -7.650
  571    HA   THR  76           HA       THR  76  -1.239   6.392  -8.812
  572    HB   THR  76           HB       THR  76  -4.163   6.186  -9.637
  573    HG1  THR  76           HG1      THR  76  -4.351   4.374  -8.294
  574   HG21  THR  76          HG21      THR  76  -1.662   4.505 -10.054
  575   HG22  THR  76          HG22      THR  76  -3.298   3.934 -10.409
  576   HG23  THR  76          HG23      THR  76  -2.659   5.361 -11.262
  577    H    LEU  77           H        LEU  77  -0.614   7.093 -10.940
  578    HA   LEU  77           HA       LEU  77  -1.849   9.621 -11.862
  579    HB2  LEU  77           HB2      LEU  77   0.578   9.563 -11.866
  580    HB3  LEU  77           HB3      LEU  77   0.565   8.058 -12.802
  581    HG   LEU  77           HG       LEU  77  -0.596   9.336 -14.668
  582   HD11  LEU  77          HD11      LEU  77  -0.304  11.831 -14.616
  583   HD12  LEU  77          HD12      LEU  77  -1.507  11.249 -13.461
  584   HD13  LEU  77          HD13      LEU  77   0.118  11.704 -12.893
  585   HD21  LEU  77          HD21      LEU  77   1.454  10.406 -15.465
  586   HD22  LEU  77          HD22      LEU  77   2.132  10.344 -13.822
  587   HD23  LEU  77          HD23      LEU  77   1.803   8.839 -14.718
  588    H    ILE  78           H        ILE  78  -3.322   9.599 -13.477
  589    HA   ILE  78           HA       ILE  78  -3.587   7.181 -15.131
  590    HB   ILE  78           HB       ILE  78  -5.584   9.149 -14.032
  591   HG12  ILE  78          HG12      ILE  78  -7.022   7.141 -13.827
  592   HG13  ILE  78          HG13      ILE  78  -5.757   6.138 -14.533
  593   HG21  ILE  78          HG21      ILE  78  -5.822   7.801 -16.722
  594   HG22  ILE  78          HG22      ILE  78  -7.228   8.302 -15.772
  595   HG23  ILE  78          HG23      ILE  78  -6.061   9.527 -16.273
  596   HD11  ILE  78          HD11      ILE  78  -5.447   7.751 -11.980
  597   HD12  ILE  78          HD12      ILE  78  -5.961   6.037 -12.041
  598   HD13  ILE  78          HD13      ILE  78  -4.355   6.481 -12.615
  599    H    VAL  79           H        VAL  79  -3.412   7.621 -17.421
  600    HA   VAL  79           HA       VAL  79  -3.190  10.394 -18.322
  601    HB   VAL  79           HB       VAL  79  -1.157   8.250 -19.027
  602   HG11  VAL  79          HG11      VAL  79  -1.540   9.792 -20.909
  603   HG12  VAL  79          HG12      VAL  79  -1.315  11.193 -19.837
  604   HG13  VAL  79          HG13      VAL  79   0.044  10.103 -20.196
  605   HG21  VAL  79          HG21      VAL  79   0.487   9.779 -17.859
  606   HG22  VAL  79          HG22      VAL  79  -0.899  10.701 -17.248
  607   HG23  VAL  79          HG23      VAL  79  -0.693   8.990 -16.807
  608    H    ASP  80           H        ASP  80  -4.299  10.657 -20.238
  609    HA   ASP  80           HA       ASP  80  -5.901  10.164 -21.741
  610    HB2  ASP  80           HB2      ASP  80  -3.862   9.623 -22.990
  611    HB3  ASP  80           HB3      ASP  80  -4.007   7.930 -22.511
  612    H    ASN  81           H        ASN  81  -6.486   9.220 -19.237
  613    HA   ASN  81           HA       ASN  81  -7.858   8.004 -18.019
  614    HB2  ASN  81           HB2      ASN  81  -9.424   8.539 -19.927
  615    HB3  ASN  81           HB3      ASN  81  -9.144   6.894 -20.504
  616   HD21  ASN  81          HD22      ASN  81 -11.193   5.951 -20.064
  617   HD22  ASN  81          HD21      ASN  81 -11.908   5.916 -18.470
  618    H    ARG  82           H        ARG  82  -5.313   6.528 -19.393
  619    HA   ARG  82           HA       ARG  82  -5.987   3.814 -18.470
  620    HB2  ARG  82           HB2      ARG  82  -3.651   5.029 -20.037
  621    HB3  ARG  82           HB3      ARG  82  -3.545   3.453 -19.258
  622    HG2  ARG  82           HG2      ARG  82  -4.173   2.987 -21.442
  623    HG3  ARG  82           HG3      ARG  82  -5.616   2.764 -20.421
  624    HD2  ARG  82           HD2      ARG  82  -6.574   4.823 -21.224
  625    HD3  ARG  82           HD3      ARG  82  -5.081   5.241 -22.103
  626    HE   ARG  82           HE       ARG  82  -5.923   2.764 -23.089
  627   HH11  ARG  82          HH21      ARG  82  -7.187   6.078 -22.960
  628   HH12  ARG  82          HH22      ARG  82  -8.202   5.909 -24.355
  629   HH21  ARG  82          HH11      ARG  82  -7.245   2.530 -24.976
  630   HH22  ARG  82          HH12      ARG  82  -8.217   3.840 -25.535
  631    H    GLU  83           H        GLU  83  -4.762   2.846 -16.830
  632    HA   GLU  83           HA       GLU  83  -3.982   4.779 -14.781
  633    HB2  GLU  83           HB2      GLU  83  -5.657   3.173 -14.196
  634    HB3  GLU  83           HB3      GLU  83  -4.607   1.813 -14.662
  635    HG2  GLU  83           HG2      GLU  83  -3.018   2.464 -12.851
  636    HG3  GLU  83           HG3      GLU  83  -4.088   3.826 -12.461
  637    H    ILE  84           H        ILE  84  -1.945   5.053 -14.018
  638    HA   ILE  84           HA       ILE  84   0.247   3.483 -15.233
  639    HB   ILE  84           HB       ILE  84   0.280   6.382 -14.334
  640   HG12  ILE  84          HG12      ILE  84  -1.197   6.292 -16.240
  641   HG13  ILE  84          HG13      ILE  84   0.332   7.039 -16.643
  642   HG21  ILE  84          HG21      ILE  84   2.298   4.645 -15.777
  643   HG22  ILE  84          HG22      ILE  84   2.403   6.427 -15.619
  644   HG23  ILE  84          HG23      ILE  84   2.445   5.398 -14.185
  645   HD11  ILE  84          HD11      ILE  84   1.072   4.984 -17.814
  646   HD12  ILE  84          HD12      ILE  84  -0.466   4.200 -17.384
  647   HD13  ILE  84          HD13      ILE  84  -0.459   5.602 -18.458
  648    HA   PRO  85           HA       PRO  85   0.850   2.477 -10.819
  649    HB2  PRO  85           HB2      PRO  85   3.170   0.947 -11.972
  650    HB3  PRO  85           HB3      PRO  85   1.913   0.396 -10.821
  651    HG2  PRO  85           HG2      PRO  85   1.858  -0.360 -13.438
  652    HG3  PRO  85           HG3      PRO  85   0.346   0.059 -12.568
  653    HD2  PRO  85           HD2      PRO  85   1.963   1.813 -14.457
  654    HD3  PRO  85           HD3      PRO  85   0.192   1.544 -14.360
  655    H    GLU  86           H        GLU  86   2.389   3.167  -9.231
  656    HA   GLU  86           HA       GLU  86   4.226   5.280  -9.796
  657    HB2  GLU  86           HB2      GLU  86   3.370   3.726  -7.444
  658    HB3  GLU  86           HB3      GLU  86   5.094   4.049  -7.449
  659    HG2  GLU  86           HG2      GLU  86   4.186   6.527  -8.170
  660    HG3  GLU  86           HG3      GLU  86   2.822   5.967  -7.214
  661    H    ILE  87           H        ILE  87   6.530   5.222  -9.569
  662    HA   ILE  87           HA       ILE  87   7.826   3.251 -11.158
  663    HB   ILE  87           HB       ILE  87   9.934   4.291 -10.259
  664   HG12  ILE  87          HG12      ILE  87   8.194   6.276  -8.825
  665   HG13  ILE  87          HG13      ILE  87   8.953   4.918  -8.009
  666   HG21  ILE  87          HG21      ILE  87   9.657   6.345 -11.504
  667   HG22  ILE  87          HG22      ILE  87   8.800   5.027 -12.305
  668   HG23  ILE  87          HG23      ILE  87   7.884   6.230 -11.363
  669   HD11  ILE  87          HD11      ILE  87  11.194   5.674  -8.707
  670   HD12  ILE  87          HD12      ILE  87  10.479   7.085  -9.505
  671   HD13  ILE  87          HD13      ILE  87  10.348   6.896  -7.747
  672    H    ALA  88           H        ALA  88   9.442   1.722 -10.630
  673    HA   ALA  88           HA       ALA  88   9.114   0.414  -8.002
  674    HB1  ALA  88           HB1      ALA  88  10.480  -1.366  -8.980
  675    HB2  ALA  88           HB2      ALA  88   9.004  -1.073  -9.931
  676    HB3  ALA  88           HB3      ALA  88  10.583  -0.469 -10.511
  677    H    SER  89           H        SER  89  10.145   1.866  -6.684
  678    HA   SER  89           HA       SER  89  12.711   3.017  -7.173
  679    HB2  SER  89           HB2      SER  89  11.413   2.434  -4.476
  680    HB3  SER  89           HB3      SER  89  12.663   3.635  -4.817
  681    HG   SER  89           HG       SER  89  10.527   4.575  -4.726
  Start of MODEL   13
    1    H1   GLU   1           H1       GLU   1  18.924  15.293   7.288
    2    H2   GLU   1           H2       GLU   1  18.016  14.765   6.037
    3    H3   GLU   1           H3       GLU   1  18.816  16.207   5.924
    4    HA   GLU   1           HA       GLU   1  17.479  17.118   7.723
    5    HB2  GLU   1           HB2      GLU   1  15.983  16.099   5.263
    6    HB3  GLU   1           HB3      GLU   1  15.228  17.096   6.504
    7    HG2  GLU   1           HG2      GLU   1  15.819  18.627   4.874
    8    HG3  GLU   1           HG3      GLU   1  17.028  18.845   6.123
    9    H    ASP   2           H        ASP   2  15.622  16.871   9.152
   10    HA   ASP   2           HA       ASP   2  15.541  14.267  10.395
   11    HB2  ASP   2           HB2      ASP   2  15.357  16.288  11.720
   12    HB3  ASP   2           HB3      ASP   2  13.935  16.811  10.816
   13    H    ARG   3           H        ARG   3  13.294  16.085   8.273
   14    HA   ARG   3           HA       ARG   3  11.180  14.115   8.592
   15    HB2  ARG   3           HB2      ARG   3  11.438  16.477   6.724
   16    HB3  ARG   3           HB3      ARG   3  10.035  15.410   6.772
   17    HG2  ARG   3           HG2      ARG   3  11.063  16.986   9.158
   18    HG3  ARG   3           HG3      ARG   3   9.765  17.509   8.086
   19    HD2  ARG   3           HD2      ARG   3   8.531  16.627   9.804
   20    HD3  ARG   3           HD3      ARG   3   8.657  15.207   8.751
   21    HE   ARG   3           HE       ARG   3  10.792  15.481  10.759
   22   HH11  ARG   3          HH11      ARG   3   7.502  14.161  10.297
   23   HH12  ARG   3          HH12      ARG   3   7.642  13.062  11.623
   24   HH21  ARG   3          HH21      ARG   3  10.967  14.137  12.409
   25   HH22  ARG   3          HH22      ARG   3   9.699  13.022  12.898
   26    H    SER   4           H        SER   4  10.578  12.493   7.148
   27    HA   SER   4           HA       SER   4  12.599  11.450   5.385
   28    HB2  SER   4           HB2      SER   4   9.672  10.648   5.619
   29    HB3  SER   4           HB3      SER   4  11.005   9.667   4.992
   30    HG   SER   4           HG       SER   4  10.478   9.138   7.173
   31    H    LYS   5           H        LYS   5  12.329  11.053   3.079
   32    HA   LYS   5           HA       LYS   5  11.136  13.249   1.569
   33    HB2  LYS   5           HB2      LYS   5  13.208  12.068   0.862
   34    HB3  LYS   5           HB3      LYS   5  12.287  10.572   0.656
   35    HG2  LYS   5           HG2      LYS   5  10.913  11.656  -1.104
   36    HG3  LYS   5           HG3      LYS   5  11.820  13.170  -0.880
   37    HD2  LYS   5           HD2      LYS   5  13.913  12.016  -1.534
   38    HD3  LYS   5           HD3      LYS   5  13.013  10.496  -1.750
   39    HE2  LYS   5           HE2      LYS   5  11.631  11.556  -3.512
   40    HE3  LYS   5           HE3      LYS   5  12.500  13.083  -3.284
   41    HZ1  LYS   5           HZ1      LYS   5  13.395  11.853  -5.162
   42    HZ2  LYS   5           HZ2      LYS   5  14.538  11.952  -4.005
   43    HZ3  LYS   5           HZ3      LYS   5  13.725  10.547  -4.231
   44    H    THR   6           H        THR   6   9.114  13.208   0.533
   45    HA   THR   6           HA       THR   6   7.421  10.773   0.869
   46    HB   THR   6           HB       THR   6   6.431  13.563   1.543
   47    HG1  THR   6           HG1      THR   6   7.990  13.178   3.095
   48   HG21  THR   6          HG21      THR   6   4.678  12.327   2.728
   49   HG22  THR   6          HG22      THR   6   4.762  11.738   1.065
   50   HG23  THR   6          HG23      THR   6   5.474  10.776   2.370
   51    H    THR   7           H        THR   7   7.597  10.297  -1.314
   52    HA   THR   7           HA       THR   7   6.360  12.239  -3.187
   53    HB   THR   7           HB       THR   7   8.209  11.277  -4.800
   54    HG1  THR   7           HG1      THR   7   9.263   9.883  -3.363
   55   HG21  THR   7          HG21      THR   7   8.062  13.646  -4.330
   56   HG22  THR   7          HG22      THR   7   8.758  13.428  -2.708
   57   HG23  THR   7          HG23      THR   7   9.741  13.154  -4.165
   58    H    ASN   8           H        ASN   8   5.306  11.366  -4.950
   59    HA   ASN   8           HA       ASN   8   4.854   8.373  -5.048
   60    HB2  ASN   8           HB2      ASN   8   2.906  10.589  -4.962
   61    HB3  ASN   8           HB3      ASN   8   2.828   9.702  -6.473
   62   HD21  ASN   8          HD22      ASN   8   2.057   7.526  -6.490
   63   HD22  ASN   8          HD21      ASN   8   1.607   6.663  -5.024
   64    H    THR   9           H        THR   9   5.735   7.511  -6.849
   65    HA   THR   9           HA       THR   9   6.471   9.393  -9.022
   66    HB   THR   9           HB       THR   9   8.073   7.071  -7.938
   67    HG1  THR   9           HG1      THR   9   9.406   8.595  -7.158
   68   HG21  THR   9          HG21      THR   9   9.858   7.830  -9.513
   69   HG22  THR   9          HG22      THR   9   8.468   7.083 -10.315
   70   HG23  THR   9          HG23      THR   9   8.649   8.838 -10.340
   71    H    TRP  10           H        TRP  10   6.254   8.732 -11.086
   72    HA   TRP  10           HA       TRP  10   5.206   6.040 -11.726
   73    HB2  TRP  10           HB2      TRP  10   3.956   8.688 -12.614
   74    HB3  TRP  10           HB3      TRP  10   3.501   7.105 -13.214
   75    HD1  TRP  10           HD1      TRP  10   2.128   5.546 -11.594
   76    HE1  TRP  10           HE1      TRP  10   0.532   6.008  -9.665
   77    HE3  TRP  10           HE3      TRP  10   3.549  10.319 -10.616
   78    HZ2  TRP  10           HZ2      TRP  10  -0.105   8.277  -7.928
   79    HZ3  TRP  10           HZ3      TRP  10   2.315  11.683  -8.970
   80    HH2  TRP  10           HH2      TRP  10   0.481  10.677  -7.608
   81    H    VAL  11           H        VAL  11   5.592   5.563 -13.990
   82    HA   VAL  11           HA       VAL  11   7.088   7.573 -15.493
   83    HB   VAL  11           HB       VAL  11   8.748   6.047 -14.614
   84   HG11  VAL  11          HG11      VAL  11   8.910   3.704 -15.278
   85   HG12  VAL  11          HG12      VAL  11   7.439   3.994 -14.351
   86   HG13  VAL  11          HG13      VAL  11   7.348   3.807 -16.118
   87   HG21  VAL  11          HG21      VAL  11   9.896   5.514 -16.722
   88   HG22  VAL  11          HG22      VAL  11   8.386   5.669 -17.637
   89   HG23  VAL  11          HG23      VAL  11   9.098   7.087 -16.859
   90    H    LEU  12           H        LEU  12   6.418   7.832 -17.566
   91    HA   LEU  12           HA       LEU  12   4.339   5.969 -18.577
   92    HB2  LEU  12           HB2      LEU  12   4.107   8.724 -17.949
   93    HB3  LEU  12           HB3      LEU  12   4.363   8.708 -19.684
   94    HG   LEU  12           HG       LEU  12   2.015   8.727 -19.157
   95   HD11  LEU  12          HD11      LEU  12   1.232   6.901 -20.531
   96   HD12  LEU  12          HD12      LEU  12   2.782   7.478 -21.182
   97   HD13  LEU  12          HD13      LEU  12   2.711   5.968 -20.253
   98   HD21  LEU  12          HD21      LEU  12   2.424   6.058 -17.720
   99   HD22  LEU  12          HD22      LEU  12   2.150   7.617 -16.934
  100   HD23  LEU  12          HD23      LEU  12   0.895   6.905 -17.983
  101    H    HIS  13           H        HIS  13   4.911   4.944 -20.397
  102    HA   HIS  13           HA       HIS  13   7.163   5.976 -21.971
  103    HB2  HIS  13           HB2      HIS  13   6.978   3.521 -21.210
  104    HB3  HIS  13           HB3      HIS  13   5.666   3.346 -22.363
  105    HD1  HIS  13           HD1      HIS  13   7.085   4.877 -24.906
  106    HD2  HIS  13           HD2      HIS  13   8.818   2.083 -22.256
  107    HE1  HIS  13           HE1      HIS  13   9.101   3.929 -26.091
  108    H    MET  14           H        MET  14   6.636   7.220 -23.706
  109    HA   MET  14           HA       MET  14   3.936   7.054 -24.876
  110    HB2  MET  14           HB2      MET  14   5.814   9.429 -24.670
  111    HB3  MET  14           HB3      MET  14   4.287   9.417 -25.578
  112    HG2  MET  14           HG2      MET  14   3.073   8.791 -23.519
  113    HG3  MET  14           HG3      MET  14   4.561   9.018 -22.591
  114    HE1  MET  14           HE1      MET  14   2.721  10.563 -21.179
  115    HE2  MET  14           HE2      MET  14   1.881  11.944 -21.935
  116    HE3  MET  14           HE3      MET  14   1.545  10.286 -22.489
  117    H    ASP  15           H        ASP  15   4.614   8.411 -27.281
  118    HA   ASP  15           HA       ASP  15   5.068   6.209 -28.874
  119    HB2  ASP  15           HB2      ASP  15   3.981   8.285 -29.584
  120    HB3  ASP  15           HB3      ASP  15   5.518   9.150 -29.487
  121    H    GLY  16           H        GLY  16   7.561   8.339 -27.523
  122    HA2  GLY  16           HA2      GLY  16   9.640   6.462 -28.323
  123    HA3  GLY  16           HA3      GLY  16   9.715   7.995 -29.199
  124    H    GLU  17           H        GLU  17   8.564   8.031 -25.842
  125    HA   GLU  17           HA       GLU  17  11.163   8.755 -24.782
  126    HB2  GLU  17           HB2      GLU  17   8.856  10.736 -25.009
  127    HB3  GLU  17           HB3      GLU  17  10.046  10.847 -23.704
  128    HG2  GLU  17           HG2      GLU  17  11.872  10.908 -25.379
  129    HG3  GLU  17           HG3      GLU  17  10.670  10.938 -26.677
  130    H    ASN  18           H        ASN  18  11.111   8.831 -22.448
  131    HA   ASN  18           HA       ASN  18   8.844   7.406 -21.170
  132    HB2  ASN  18           HB2      ASN  18  11.804   6.837 -20.926
  133    HB3  ASN  18           HB3      ASN  18  10.696   6.534 -19.591
  134   HD21  ASN  18          HD22      ASN  18  11.140   5.745 -23.100
  135   HD22  ASN  18          HD21      ASN  18  10.239   4.246 -23.025
  136    H    PHE  19           H        PHE  19   7.900   8.805 -19.865
  137    HA   PHE  19           HA       PHE  19   9.474  11.158 -18.879
  138    HB2  PHE  19           HB2      PHE  19   6.479  10.722 -19.237
  139    HB3  PHE  19           HB3      PHE  19   7.208  12.158 -18.542
  140    HD1  PHE  19           HD1      PHE  19   8.700  13.637 -19.941
  141    HD2  PHE  19           HD2      PHE  19   6.405  10.401 -21.646
  142    HE1  PHE  19           HE1      PHE  19   8.997  14.615 -22.205
  143    HE2  PHE  19           HE2      PHE  19   6.682  11.411 -23.900
  144    HZ   PHE  19           HZ       PHE  19   7.992  13.492 -24.187
  145    H    ARG  20           H        ARG  20  10.193  10.896 -16.789
  146    HA   ARG  20           HA       ARG  20   8.661   9.259 -14.890
  147    HB2  ARG  20           HB2      ARG  20  11.276  10.790 -14.672
  148    HB3  ARG  20           HB3      ARG  20  10.375  10.233 -13.255
  149    HG2  ARG  20           HG2      ARG  20  10.297   7.973 -14.836
  150    HG3  ARG  20           HG3      ARG  20  11.891   8.624 -15.256
  151    HD2  ARG  20           HD2      ARG  20  10.779   8.070 -12.482
  152    HD3  ARG  20           HD3      ARG  20  11.874   6.987 -13.335
  153    HE   ARG  20           HE       ARG  20  12.531   9.463 -11.924
  154   HH11  ARG  20          HH11      ARG  20  13.751   7.130 -14.328
  155   HH12  ARG  20          HH12      ARG  20  15.407   7.558 -14.100
  156   HH21  ARG  20          HH21      ARG  20  14.734  10.048 -11.648
  157   HH22  ARG  20          HH22      ARG  20  15.973   9.252 -12.548
  158    H    ILE  21           H        ILE  21   7.432  10.021 -13.328
  159    HA   ILE  21           HA       ILE  21   6.837  12.906 -13.238
  160    HB   ILE  21           HB       ILE  21   4.916  10.587 -12.901
  161   HG12  ILE  21          HG12      ILE  21   5.486  11.021 -15.239
  162   HG13  ILE  21          HG13      ILE  21   3.785  11.309 -14.883
  163   HG21  ILE  21          HG21      ILE  21   4.317  13.564 -12.659
  164   HG22  ILE  21          HG22      ILE  21   3.122  12.237 -12.626
  165   HG23  ILE  21          HG23      ILE  21   4.308  12.390 -11.327
  166   HD11  ILE  21          HD11      ILE  21   4.826  12.955 -16.428
  167   HD12  ILE  21          HD12      ILE  21   4.121  13.723 -14.992
  168   HD13  ILE  21          HD13      ILE  21   5.885  13.502 -15.126
  169    H    VAL  22           H        VAL  22   7.149  13.651 -11.079
  170    HA   VAL  22           HA       VAL  22   6.820  11.686  -8.929
  171    HB   VAL  22           HB       VAL  22   9.071  13.725  -9.038
  172   HG11  VAL  22          HG11      VAL  22   8.228  13.265  -6.746
  173   HG12  VAL  22          HG12      VAL  22   8.409  11.519  -7.040
  174   HG13  VAL  22          HG13      VAL  22   9.843  12.572  -6.969
  175   HG21  VAL  22          HG21      VAL  22  10.610  11.793  -9.131
  176   HG22  VAL  22          HG22      VAL  22   9.215  10.707  -9.308
  177   HG23  VAL  22          HG23      VAL  22   9.597  11.897 -10.575
  178    H    LEU  23           H        LEU  23   5.184  12.384  -7.736
  179    HA   LEU  23           HA       LEU  23   4.455  15.269  -7.609
  180    HB2  LEU  23           HB2      LEU  23   2.768  13.484  -7.925
  181    HB3  LEU  23           HB3      LEU  23   3.200  12.778  -6.365
  182    HG   LEU  23           HG       LEU  23   1.843  15.431  -6.945
  183   HD11  LEU  23          HD11      LEU  23  -0.070  14.397  -5.868
  184   HD12  LEU  23          HD12      LEU  23   0.582  13.156  -6.959
  185   HD13  LEU  23          HD13      LEU  23   0.924  13.060  -5.232
  186   HD21  LEU  23          HD21      LEU  23   2.862  14.481  -4.289
  187   HD22  LEU  23          HD22      LEU  23   3.032  16.077  -5.094
  188   HD23  LEU  23          HD23      LEU  23   1.477  15.584  -4.436
  189    H    GLU  24           H        GLU  24   5.348  16.423  -5.926
  190    HA   GLU  24           HA       GLU  24   6.740  15.133  -3.659
  191    HB2  GLU  24           HB2      GLU  24   7.081  17.558  -5.196
  192    HB3  GLU  24           HB3      GLU  24   6.653  18.046  -3.559
  193    HG2  GLU  24           HG2      GLU  24   8.782  16.057  -4.340
  194    HG3  GLU  24           HG3      GLU  24   9.088  17.757  -3.965
  195    H    LYS  25           H        LYS  25   5.416  14.469  -2.061
  196    HA   LYS  25           HA       LYS  25   2.651  15.301  -2.118
  197    HB2  LYS  25           HB2      LYS  25   4.162  13.488  -0.252
  198    HB3  LYS  25           HB3      LYS  25   2.417  13.756  -0.177
  199    HG2  LYS  25           HG2      LYS  25   2.068  12.928  -2.432
  200    HG3  LYS  25           HG3      LYS  25   3.797  12.898  -2.767
  201    HD2  LYS  25           HD2      LYS  25   3.251  10.720  -2.512
  202    HD3  LYS  25           HD3      LYS  25   4.064  11.135  -1.004
  203    HE2  LYS  25           HE2      LYS  25   1.900  11.211   0.180
  204    HE3  LYS  25           HE3      LYS  25   1.023  11.072  -1.349
  205    HZ1  LYS  25           HZ1      LYS  25   1.963   8.828  -1.628
  206    HZ2  LYS  25           HZ2      LYS  25   2.741   8.939  -0.177
  207    HZ3  LYS  25           HZ3      LYS  25   1.110   8.934  -0.228
  208    H    ASP  26           H        ASP  26   5.451  16.338  -0.217
  209    HA   ASP  26           HA       ASP  26   3.917  17.434   1.927
  210    HB2  ASP  26           HB2      ASP  26   6.302  16.950   2.198
  211    HB3  ASP  26           HB3      ASP  26   6.708  18.138   0.947
  212    H    ALA  27           H        ALA  27   5.257  18.766  -1.110
  213    HA   ALA  27           HA       ALA  27   4.167  21.411  -0.588
  214    HB1  ALA  27           HB1      ALA  27   5.803  20.336  -2.923
  215    HB2  ALA  27           HB2      ALA  27   5.453  22.043  -2.581
  216    HB3  ALA  27           HB3      ALA  27   6.464  21.108  -1.459
  217    H    MET  28           H        MET  28   3.175  18.567  -2.284
  218    HA   MET  28           HA       MET  28   1.780  18.026  -3.837
  219    HB2  MET  28           HB2      MET  28   0.239  19.549  -2.090
  220    HB3  MET  28           HB3      MET  28  -0.227  20.179  -3.672
  221    HG2  MET  28           HG2      MET  28  -0.185  17.279  -2.813
  222    HG3  MET  28           HG3      MET  28  -1.609  18.315  -2.974
  223    HE1  MET  28           HE1      MET  28  -3.050  17.136  -4.477
  224    HE2  MET  28           HE2      MET  28  -2.541  16.102  -5.839
  225    HE3  MET  28           HE3      MET  28  -1.996  15.737  -4.176
  226    H    ASP  29           H        ASP  29   3.889  18.859  -4.865
  227    HA   ASP  29           HA       ASP  29   3.164  20.535  -7.198
  228    HB2  ASP  29           HB2      ASP  29   4.861  21.661  -5.689
  229    HB3  ASP  29           HB3      ASP  29   5.954  20.301  -6.017
  230    H    VAL  30           H        VAL  30   4.417  19.780  -9.191
  231    HA   VAL  30           HA       VAL  30   4.957  16.853  -9.057
  232    HB   VAL  30           HB       VAL  30   3.120  18.188 -11.040
  233   HG11  VAL  30          HG11      VAL  30   2.706  15.878 -11.877
  234   HG12  VAL  30          HG12      VAL  30   4.392  16.352 -12.093
  235   HG13  VAL  30          HG13      VAL  30   3.953  15.267 -10.756
  236   HG21  VAL  30          HG21      VAL  30   2.405  16.115  -8.957
  237   HG22  VAL  30          HG22      VAL  30   1.992  17.846  -8.846
  238   HG23  VAL  30          HG23      VAL  30   1.317  16.869 -10.146
  239    H    TRP  31           H        TRP  31   6.884  16.527  -9.747
  240    HA   TRP  31           HA       TRP  31   8.230  18.236 -11.701
  241    HB2  TRP  31           HB2      TRP  31   9.314  15.706 -10.460
  242    HB3  TRP  31           HB3      TRP  31  10.186  17.108 -11.042
  243    HD1  TRP  31           HD1      TRP  31   8.782  15.561  -7.948
  244    HE1  TRP  31           HE1      TRP  31   9.191  17.011  -5.908
  245    HE3  TRP  31           HE3      TRP  31  10.173  19.828 -10.304
  246    HZ2  TRP  31           HZ2      TRP  31  10.110  19.703  -5.328
  247    HZ3  TRP  31           HZ3      TRP  31  10.865  21.841  -8.989
  248    HH2  TRP  31           HH2      TRP  31  10.828  21.780  -6.507
  249    H    CYS  32           H        CYS  32   8.125  17.672 -13.886
  250    HA   CYS  32           HA       CYS  32   7.763  14.790 -14.584
  251    HB2  CYS  32           HB2      CYS  32   5.839  16.088 -15.359
  252    HB3  CYS  32           HB3      CYS  32   6.928  17.283 -16.127
  253    HG   CYS  32           HG       CYS  32   5.856  15.853 -18.008
  254    H    ASN  33           H        ASN  33   9.527  13.960 -15.525
  255    HA   ASN  33           HA       ASN  33  11.707  13.789 -16.197
  256    HB2  ASN  33           HB2      ASN  33  10.416  14.541 -18.272
  257    HB3  ASN  33           HB3      ASN  33  11.090  16.142 -18.015
  258   HD21  ASN  33          HD22      ASN  33  12.023  12.675 -18.537
  259   HD22  ASN  33          HD21      ASN  33  13.549  13.041 -19.297
  260    H    GLY  34           H        GLY  34  11.403  15.265 -13.801
  261    HA2  GLY  34           HA2      GLY  34  12.884  16.190 -12.332
  262    HA3  GLY  34           HA3      GLY  34  14.024  16.472 -13.642
  263    H    LYS  35           H        LYS  35  11.174  18.017 -14.654
  264    HA   LYS  35           HA       LYS  35  11.950  20.608 -13.340
  265    HB2  LYS  35           HB2      LYS  35  10.769  20.033 -16.095
  266    HB3  LYS  35           HB3      LYS  35  10.995  21.646 -15.409
  267    HG2  LYS  35           HG2      LYS  35  13.428  21.333 -15.326
  268    HG3  LYS  35           HG3      LYS  35  13.265  19.660 -15.902
  269    HD2  LYS  35           HD2      LYS  35  12.277  20.450 -18.009
  270    HD3  LYS  35           HD3      LYS  35  12.416  22.136 -17.460
  271    HE2  LYS  35           HE2      LYS  35  14.887  21.861 -17.269
  272    HE3  LYS  35           HE3      LYS  35  14.747  20.194 -17.830
  273    HZ1  LYS  35           HZ1      LYS  35  13.890  21.052 -19.949
  274    HZ2  LYS  35           HZ2      LYS  35  14.028  22.597 -19.422
  275    HZ3  LYS  35           HZ3      LYS  35  15.361  21.680 -19.631
  276    H    LYS  36           H        LYS  36  10.165  21.885 -12.473
  277    HA   LYS  36           HA       LYS  36   7.797  20.282 -12.001
  278    HB2  LYS  36           HB2      LYS  36   7.190  21.531 -10.363
  279    HB3  LYS  36           HB3      LYS  36   8.854  22.045 -10.356
  280    HG2  LYS  36           HG2      LYS  36   6.538  23.564 -11.628
  281    HG3  LYS  36           HG3      LYS  36   7.138  23.827 -10.008
  282    HD2  LYS  36           HD2      LYS  36   8.867  24.213 -12.498
  283    HD3  LYS  36           HD3      LYS  36   7.922  25.493 -11.727
  284    HE2  LYS  36           HE2      LYS  36   9.144  25.084  -9.576
  285    HE3  LYS  36           HE3      LYS  36  10.165  23.901 -10.401
  286    HZ1  LYS  36           HZ1      LYS  36   9.988  26.788 -11.076
  287    HZ2  LYS  36           HZ2      LYS  36  11.232  26.067 -10.311
  288    HZ3  LYS  36           HZ3      LYS  36  10.925  25.703 -11.871
  289    H    LEU  37           H        LEU  37   5.706  20.602 -12.807
  290    HA   LEU  37           HA       LEU  37   5.588  22.299 -15.227
  291    HB2  LEU  37           HB2      LEU  37   3.949  20.730 -16.210
  292    HB3  LEU  37           HB3      LEU  37   5.624  20.221 -16.140
  293    HG   LEU  37           HG       LEU  37   5.208  18.761 -14.319
  294   HD11  LEU  37          HD11      LEU  37   2.872  18.165 -13.592
  295   HD12  LEU  37          HD12      LEU  37   3.409  19.750 -13.038
  296   HD13  LEU  37          HD13      LEU  37   2.298  19.620 -14.430
  297   HD21  LEU  37          HD21      LEU  37   3.118  18.416 -16.523
  298   HD22  LEU  37          HD22      LEU  37   4.837  18.011 -16.670
  299   HD23  LEU  37          HD23      LEU  37   3.809  17.106 -15.538
  300    H    GLU  38           H        GLU  38   3.266  22.730 -15.872
  301    HA   GLU  38           HA       GLU  38   2.061  24.217 -13.721
  302    HB2  GLU  38           HB2      GLU  38   0.529  25.030 -15.430
  303    HB3  GLU  38           HB3      GLU  38   2.208  25.164 -15.953
  304    HG2  GLU  38           HG2      GLU  38   1.898  23.005 -17.272
  305    HG3  GLU  38           HG3      GLU  38   0.188  23.054 -16.853
  306    H    THR  39           H        THR  39  -0.017  23.885 -12.842
  307    HA   THR  39           HA       THR  39  -1.441  21.359 -13.430
  308    HB   THR  39           HB       THR  39  -1.603  21.131 -10.855
  309    HG1  THR  39           HG1      THR  39  -0.395  22.943 -10.216
  310   HG21  THR  39          HG21      THR  39   0.977  20.351 -12.284
  311   HG22  THR  39          HG22      THR  39   0.313  19.594 -10.827
  312   HG23  THR  39          HG23      THR  39  -0.565  19.468 -12.363
  313    H    ALA  40           H        ALA  40  -3.599  21.386 -12.848
  314    HA   ALA  40           HA       ALA  40  -4.749  23.804 -11.580
  315    HB1  ALA  40           HB1      ALA  40  -5.865  22.406 -14.063
  316    HB2  ALA  40           HB2      ALA  40  -6.685  23.668 -13.122
  317    HB3  ALA  40           HB3      ALA  40  -5.196  24.057 -14.009
  318    H    GLY  41           H        GLY  41  -6.480  23.156 -10.126
  319    HA2  GLY  41           HA2      GLY  41  -6.550  20.202  -9.602
  320    HA3  GLY  41           HA3      GLY  41  -6.429  21.441  -8.347
  321    H    GLU  42           H        GLU  42  -8.553  19.655 -10.364
  322    HA   GLU  42           HA       GLU  42 -10.837  21.408  -9.703
  323    HB2  GLU  42           HB2      GLU  42 -10.441  19.173 -11.700
  324    HB3  GLU  42           HB3      GLU  42 -12.053  19.425 -11.001
  325    HG2  GLU  42           HG2      GLU  42 -11.978  21.803 -11.602
  326    HG3  GLU  42           HG3      GLU  42 -10.392  21.573 -12.366
  327    H    PHE  43           H        PHE  43 -12.601  20.505  -8.482
  328    HA   PHE  43           HA       PHE  43 -11.773  18.237  -6.711
  329    HB2  PHE  43           HB2      PHE  43 -11.615  20.487  -5.608
  330    HB3  PHE  43           HB3      PHE  43 -13.348  20.680  -5.875
  331    HD1  PHE  43           HD2      PHE  43 -10.766  18.563  -4.167
  332    HD2  PHE  43           HD1      PHE  43 -14.938  19.653  -4.372
  333    HE1  PHE  43           HE2      PHE  43 -11.197  17.300  -2.080
  334    HE2  PHE  43           HE1      PHE  43 -15.360  18.405  -2.265
  335    HZ   PHE  43           HZ       PHE  43 -13.491  17.231  -1.114
  336    H    VAL  44           H        VAL  44 -13.260  16.686  -6.351
  337    HA   VAL  44           HA       VAL  44 -16.028  17.057  -7.295
  338    HB   VAL  44           HB       VAL  44 -15.708  14.527  -7.923
  339   HG11  VAL  44          HG11      VAL  44 -14.659  16.746  -9.701
  340   HG12  VAL  44          HG12      VAL  44 -15.222  15.144 -10.241
  341   HG13  VAL  44          HG13      VAL  44 -16.357  16.263  -9.462
  342   HG21  VAL  44          HG21      VAL  44 -13.412  14.280  -7.093
  343   HG22  VAL  44          HG22      VAL  44 -13.584  13.851  -8.803
  344   HG23  VAL  44          HG23      VAL  44 -12.827  15.392  -8.359
  345    H    ASP  45           H        ASP  45 -17.417  15.265  -6.473
  346    HA   ASP  45           HA       ASP  45 -17.096  14.974  -3.604
  347    HB2  ASP  45           HB2      ASP  45 -19.273  15.526  -4.567
  348    HB3  ASP  45           HB3      ASP  45 -19.285  14.002  -5.458
  349    H    ASP  46           H        ASP  46 -15.006  13.866  -4.527
  350    HA   ASP  46           HA       ASP  46 -15.049  10.961  -4.153
  351    HB2  ASP  46           HB2      ASP  46 -15.631  10.981  -6.466
  352    HB3  ASP  46           HB3      ASP  46 -14.565  12.331  -6.821
  353    H    GLY  47           H        GLY  47 -13.290  14.023  -4.975
  354    HA2  GLY  47           HA2      GLY  47 -11.290  14.004  -3.155
  355    HA3  GLY  47           HA3      GLY  47 -10.707  12.898  -4.414
  356    H    THR  48           H        THR  48  -9.085  14.293  -5.144
  357    HA   THR  48           HA       THR  48 -10.014  16.763  -6.516
  358    HB   THR  48           HB       THR  48  -7.181  16.423  -5.618
  359    HG1  THR  48           HG1      THR  48  -8.377  16.199  -3.687
  360   HG21  THR  48          HG21      THR  48  -7.196  18.882  -5.509
  361   HG22  THR  48          HG22      THR  48  -7.665  18.305  -7.113
  362   HG23  THR  48          HG23      THR  48  -8.908  18.901  -5.986
  363    H    GLU  49           H        GLU  49  -9.141  17.066  -8.582
  364    HA   GLU  49           HA       GLU  49  -7.520  14.882  -9.709
  365    HB2  GLU  49           HB2      GLU  49  -9.943  16.176 -10.976
  366    HB3  GLU  49           HB3      GLU  49  -8.725  15.232 -11.883
  367    HG2  GLU  49           HG2      GLU  49  -9.091  13.301 -10.412
  368    HG3  GLU  49           HG3      GLU  49 -10.333  14.172  -9.510
  369    H    THR  50           H        THR  50  -5.577  15.748  -9.926
  370    HA   THR  50           HA       THR  50  -5.280  18.645 -10.494
  371    HB   THR  50           HB       THR  50  -3.373  16.517  -9.494
  372    HG1  THR  50           HG1      THR  50  -4.786  17.358  -7.938
  373   HG21  THR  50          HG21      THR  50  -2.804  19.380 -10.328
  374   HG22  THR  50          HG22      THR  50  -1.782  18.490  -9.165
  375   HG23  THR  50          HG23      THR  50  -1.961  17.889 -10.812
  376    H    HIS  51           H        HIS  51  -5.347  19.058 -12.661
  377    HA   HIS  51           HA       HIS  51  -4.665  16.938 -14.593
  378    HB2  HIS  51           HB2      HIS  51  -5.998  19.658 -14.908
  379    HB3  HIS  51           HB3      HIS  51  -5.710  18.522 -16.219
  380    HD1  HIS  51           HD1      HIS  51  -7.381  16.454 -16.432
  381    HD2  HIS  51           HD2      HIS  51  -7.998  19.003 -13.133
  382    HE1  HIS  51           HE1      HIS  51  -9.610  15.771 -15.402
  383    H    PHE  52           H        PHE  52  -3.157  17.140 -16.220
  384    HA   PHE  52           HA       PHE  52  -1.836  19.605 -16.873
  385    HB2  PHE  52           HB2      PHE  52   0.477  18.799 -16.485
  386    HB3  PHE  52           HB3      PHE  52  -0.411  19.105 -15.017
  387    HD1  PHE  52           HD2      PHE  52  -1.093  17.310 -13.495
  388    HD2  PHE  52           HD1      PHE  52   1.241  16.508 -17.038
  389    HE1  PHE  52           HE2      PHE  52  -0.439  15.123 -12.566
  390    HE2  PHE  52           HE1      PHE  52   1.898  14.298 -16.072
  391    HZ   PHE  52           HZ       PHE  52   1.104  13.633 -13.828
  392    H    SER  53           H        SER  53   0.059  18.745 -18.628
  393    HA   SER  53           HA       SER  53  -1.085  16.553 -20.238
  394    HB2  SER  53           HB2      SER  53  -0.745  19.367 -21.351
  395    HB3  SER  53           HB3      SER  53  -1.281  17.932 -22.244
  396    HG   SER  53           HG       SER  53  -3.028  19.305 -21.570
  397    H    ILE  54           H        ILE  54   0.377  15.709 -21.777
  398    HA   ILE  54           HA       ILE  54   3.151  16.715 -21.849
  399    HB   ILE  54           HB       ILE  54   2.367  13.917 -20.916
  400   HG12  ILE  54          HG12      ILE  54   3.909  16.063 -19.391
  401   HG13  ILE  54          HG13      ILE  54   2.209  15.676 -19.120
  402   HG21  ILE  54          HG21      ILE  54   4.383  13.920 -22.417
  403   HG22  ILE  54          HG22      ILE  54   5.166  15.080 -21.327
  404   HG23  ILE  54          HG23      ILE  54   4.779  13.433 -20.789
  405   HD11  ILE  54          HD11      ILE  54   4.455  13.719 -18.644
  406   HD12  ILE  54          HD12      ILE  54   3.551  14.661 -17.447
  407   HD13  ILE  54          HD13      ILE  54   2.709  13.429 -18.413
  408    H    GLY  55           H        GLY  55   3.863  16.463 -23.964
  409    HA2  GLY  55           HA2      GLY  55   3.788  15.916 -26.205
  410    HA3  GLY  55           HA3      GLY  55   3.130  14.344 -25.717
  411    H    ASN  56           H        ASN  56   1.318  14.024 -26.922
  412    HA   ASN  56           HA       ASN  56  -0.695  16.188 -27.139
  413    HB2  ASN  56           HB2      ASN  56   0.239  15.226 -29.274
  414    HB3  ASN  56           HB3      ASN  56  -0.474  13.671 -28.817
  415   HD21  ASN  56          HD22      ASN  56  -1.825  13.772 -30.778
  416   HD22  ASN  56          HD21      ASN  56  -3.211  14.836 -30.847
  417    H    HIS  57           H        HIS  57  -0.305  14.678 -24.674
  418    HA   HIS  57           HA       HIS  57  -2.884  13.199 -24.509
  419    HB2  HIS  57           HB2      HIS  57  -0.308  12.458 -23.080
  420    HB3  HIS  57           HB3      HIS  57  -1.836  11.593 -23.036
  421    HD1  HIS  57           HD1      HIS  57  -2.509  10.309 -25.459
  422    HD2  HIS  57           HD2      HIS  57   1.375  11.886 -25.038
  423    HE1  HIS  57           HE1      HIS  57  -1.100   9.261 -27.305
  424    H    ASP  58           H        ASP  58  -3.997  13.476 -22.534
  425    HA   ASP  58           HA       ASP  58  -2.943  15.586 -20.732
  426    HB2  ASP  58           HB2      ASP  58  -4.976  16.231 -20.118
  427    HB3  ASP  58           HB3      ASP  58  -5.291  15.845 -21.805
  428    H    CYS  59           H        CYS  59  -3.042  15.229 -18.507
  429    HA   CYS  59           HA       CYS  59  -3.158  12.422 -17.572
  430    HB2  CYS  59           HB2      CYS  59  -1.058  14.360 -16.617
  431    HB3  CYS  59           HB3      CYS  59  -1.113  12.603 -16.432
  432    HG   CYS  59           HG       CYS  59  -0.647  14.456 -19.104
  433    H    TYR  60           H        TYR  60  -3.787  12.319 -15.280
  434    HA   TYR  60           HA       TYR  60  -3.786  14.822 -13.889
  435    HB2  TYR  60           HB2      TYR  60  -6.095  14.797 -13.115
  436    HB3  TYR  60           HB3      TYR  60  -5.955  15.040 -14.841
  437    HD1  TYR  60           HD2      TYR  60  -6.713  12.348 -12.313
  438    HD2  TYR  60           HD1      TYR  60  -7.209  13.778 -16.348
  439    HE1  TYR  60           HE2      TYR  60  -8.433  10.627 -12.701
  440    HE2  TYR  60           HE1      TYR  60  -9.048  12.162 -16.701
  441    HH   TYR  60           HH       TYR  60 -10.161   9.878 -14.155
  442    H    ILE  61           H        ILE  61  -3.598  14.604 -11.668
  443    HA   ILE  61           HA       ILE  61  -3.205  11.810 -10.732
  444    HB   ILE  61           HB       ILE  61  -2.543  14.487  -9.512
  445   HG12  ILE  61          HG12      ILE  61  -0.600  12.215 -10.033
  446   HG13  ILE  61          HG13      ILE  61  -1.103  13.219 -11.380
  447   HG21  ILE  61          HG21      ILE  61  -2.164  11.725  -8.260
  448   HG22  ILE  61          HG22      ILE  61  -1.566  13.265  -7.604
  449   HG23  ILE  61          HG23      ILE  61  -3.295  12.979  -7.695
  450   HD11  ILE  61          HD11      ILE  61  -0.374  15.261 -10.202
  451   HD12  ILE  61          HD12      ILE  61   0.199  14.268  -8.848
  452   HD13  ILE  61          HD13      ILE  61   0.951  14.090 -10.444
  453    H    LYS  62           H        LYS  62  -4.917  10.816  -9.872
  454    HA   LYS  62           HA       LYS  62  -7.280  12.386  -8.988
  455    HB2  LYS  62           HB2      LYS  62  -7.407  10.447 -10.648
  456    HB3  LYS  62           HB3      LYS  62  -6.995   9.362  -9.317
  457    HG2  LYS  62           HG2      LYS  62  -9.093  10.015  -8.155
  458    HG3  LYS  62           HG3      LYS  62  -9.413  11.238  -9.388
  459    HD2  LYS  62           HD2      LYS  62  -9.605   9.502 -11.134
  460    HD3  LYS  62           HD3      LYS  62  -9.137   8.258  -9.989
  461    HE2  LYS  62           HE2      LYS  62 -11.546   8.246 -10.464
  462    HE3  LYS  62           HE3      LYS  62 -11.212   8.487  -8.751
  463    HZ1  LYS  62           HZ1      LYS  62 -12.945   9.954  -9.937
  464    HZ2  LYS  62           HZ2      LYS  62 -11.965  10.632  -8.827
  465    HZ3  LYS  62           HZ3      LYS  62 -11.680  10.866 -10.453
  466    H    ALA  63           H        ALA  63  -6.837  13.122  -7.025
  467    HA   ALA  63           HA       ALA  63  -5.400  11.483  -5.028
  468    HB1  ALA  63           HB1      ALA  63  -6.195  14.416  -5.035
  469    HB2  ALA  63           HB2      ALA  63  -5.266  13.579  -3.783
  470    HB3  ALA  63           HB3      ALA  63  -4.570  13.769  -5.398
  471    H    VAL  64           H        VAL  64  -6.994  10.024  -4.462
  472    HA   VAL  64           HA       VAL  64  -9.772  10.834  -4.367
  473    HB   VAL  64           HB       VAL  64  -8.959   8.051  -3.652
  474   HG11  VAL  64          HG11      VAL  64 -10.781   7.466  -5.192
  475   HG12  VAL  64          HG12      VAL  64 -11.307   8.736  -4.079
  476   HG13  VAL  64          HG13      VAL  64 -10.877   9.146  -5.752
  477   HG21  VAL  64          HG21      VAL  64  -8.301   9.006  -6.439
  478   HG22  VAL  64          HG22      VAL  64  -7.216   8.257  -5.251
  479   HG23  VAL  64          HG23      VAL  64  -8.512   7.308  -5.966
  480    H    SER  65           H        SER  65 -10.864  11.183  -2.379
  481    HA   SER  65           HA       SER  65  -9.322  10.970   0.070
  482    HB2  SER  65           HB2      SER  65 -12.193  11.876  -0.317
  483    HB3  SER  65           HB3      SER  65 -11.130  12.199   1.072
  484    HG   SER  65           HG       SER  65 -11.151  13.989  -0.332
  485    H    SER  66           H        SER  66  -9.851   8.381  -1.126
  486    HA   SER  66           HA       SER  66 -12.155   7.102  -0.289
  487    HB2  SER  66           HB2      SER  66  -9.406   5.869  -0.721
  488    HB3  SER  66           HB3      SER  66 -10.982   5.060  -0.878
  489    HG   SER  66           HG       SER  66 -10.333   5.677  -2.920
  490    H    GLY  67           H        GLY  67  -9.244   7.706   1.699
  491    HA2  GLY  67           HA2      GLY  67  -9.788   5.666   3.652
  492    HA3  GLY  67           HA3      GLY  67  -8.728   7.066   3.828
  493    H    LYS  68           H        LYS  68 -11.226   8.820   3.083
  494    HA   LYS  68           HA       LYS  68 -12.517  10.231   4.304
  495    HB2  LYS  68           HB2      LYS  68 -13.625   7.618   5.405
  496    HB3  LYS  68           HB3      LYS  68 -14.440   9.176   5.443
  497    HG2  LYS  68           HG2      LYS  68 -13.695   7.671   2.898
  498    HG3  LYS  68           HG3      LYS  68 -15.275   7.675   3.685
  499    HD2  LYS  68           HD2      LYS  68 -15.456  10.138   3.315
  500    HD3  LYS  68           HD3      LYS  68 -13.873  10.134   2.536
  501    HE2  LYS  68           HE2      LYS  68 -15.480  10.151   0.792
  502    HE3  LYS  68           HE3      LYS  68 -14.729   8.550   0.803
  503    HZ1  LYS  68           HZ1      LYS  68 -17.390   9.203   1.974
  504    HZ2  LYS  68           HZ2      LYS  68 -17.152   8.460   0.543
  505    HZ3  LYS  68           HZ3      LYS  68 -16.729   7.704   1.921
  506    H    ARG  69           H        ARG  69 -10.015  10.087   5.407
  507    HA   ARG  69           HA       ARG  69 -10.552  10.931   8.155
  508    HB2  ARG  69           HB2      ARG  69  -8.483   8.780   7.441
  509    HB3  ARG  69           HB3      ARG  69  -8.458   9.679   8.950
  510    HG2  ARG  69           HG2      ARG  69 -10.686   7.803   8.077
  511    HG3  ARG  69           HG3      ARG  69  -9.405   7.437   9.226
  512    HD2  ARG  69           HD2      ARG  69 -10.208   9.244  10.717
  513    HD3  ARG  69           HD3      ARG  69 -11.534   9.597   9.613
  514    HE   ARG  69           HE       ARG  69 -11.248   7.338  11.443
  515   HH11  ARG  69          HH21      ARG  69 -13.065   8.548   8.612
  516   HH12  ARG  69          HH22      ARG  69 -14.449   7.554   8.923
  517   HH21  ARG  69          HH11      ARG  69 -13.077   5.997  11.811
  518   HH22  ARG  69          HH12      ARG  69 -14.442   6.061  10.760
  519    H    LYS  70           H        LYS  70  -8.566  12.129   8.972
  520    HA   LYS  70           HA       LYS  70  -7.718  14.062   7.084
  521    HB2  LYS  70           HB2      LYS  70  -7.814  14.500   9.476
  522    HB3  LYS  70           HB3      LYS  70  -6.624  13.249   9.812
  523    HG2  LYS  70           HG2      LYS  70  -5.677  15.485  10.017
  524    HG3  LYS  70           HG3      LYS  70  -4.858  14.551   8.766
  525    HD2  LYS  70           HD2      LYS  70  -6.044  15.776   7.007
  526    HD3  LYS  70           HD3      LYS  70  -7.008  16.650   8.216
  527    HE2  LYS  70           HE2      LYS  70  -5.091  17.836   9.035
  528    HE3  LYS  70           HE3      LYS  70  -3.968  16.735   8.231
  529    HZ1  LYS  70           HZ1      LYS  70  -4.630  17.592   6.105
  530    HZ2  LYS  70           HZ2      LYS  70  -5.764  18.595   6.776
  531    HZ3  LYS  70           HZ3      LYS  70  -4.167  18.843   7.058
  532    H    GLU  71           H        GLU  71  -6.163  14.020   5.589
  533    HA   GLU  71           HA       GLU  71  -4.619  13.325   4.172
  534    HB2  GLU  71           HB2      GLU  71  -3.080  12.348   6.593
  535    HB3  GLU  71           HB3      GLU  71  -2.425  12.639   4.985
  536    HG2  GLU  71           HG2      GLU  71  -3.545  14.708   6.900
  537    HG3  GLU  71           HG3      GLU  71  -1.869  14.502   6.416
  538    H    GLY  72           H        GLY  72  -6.812  11.364   4.943
  539    HA2  GLY  72           HA2      GLY  72  -5.677   8.727   4.391
  540    HA3  GLY  72           HA3      GLY  72  -7.380   9.161   4.599
  541    H    ILE  73           H        ILE  73  -5.095  10.691   2.307
  542    HA   ILE  73           HA       ILE  73  -7.042  10.235   0.160
  543    HB   ILE  73           HB       ILE  73  -4.667  12.098   0.499
  544   HG12  ILE  73          HG12      ILE  73  -6.277  13.894   0.271
  545   HG13  ILE  73          HG13      ILE  73  -7.613  12.756   0.019
  546   HG21  ILE  73          HG21      ILE  73  -6.498  11.857  -1.928
  547   HG22  ILE  73          HG22      ILE  73  -5.240  13.091  -1.655
  548   HG23  ILE  73          HG23      ILE  73  -4.782  11.407  -1.892
  549   HD11  ILE  73          HD11      ILE  73  -7.572  12.133   2.347
  550   HD12  ILE  73          HD12      ILE  73  -6.040  13.023   2.584
  551   HD13  ILE  73          HD13      ILE  73  -7.543  13.894   2.240
  552    H    ILE  74           H        ILE  74  -6.629   8.851  -1.502
  553    HA   ILE  74           HA       ILE  74  -4.074   7.354  -1.659
  554    HB   ILE  74           HB       ILE  74  -6.754   7.021  -3.064
  555   HG12  ILE  74          HG12      ILE  74  -6.910   6.430  -0.717
  556   HG13  ILE  74          HG13      ILE  74  -7.050   5.007  -1.734
  557   HG21  ILE  74          HG21      ILE  74  -5.842   4.829  -3.855
  558   HG22  ILE  74          HG22      ILE  74  -5.042   6.228  -4.575
  559   HG23  ILE  74          HG23      ILE  74  -4.235   5.320  -3.279
  560   HD11  ILE  74          HD11      ILE  74  -5.734   4.523   0.257
  561   HD12  ILE  74          HD12      ILE  74  -4.679   4.407  -1.164
  562   HD13  ILE  74          HD13      ILE  74  -4.606   5.834  -0.100
  563    H    HIS  75           H        HIS  75  -2.651   7.856  -3.414
  564    HA   HIS  75           HA       HIS  75  -3.585  10.002  -5.289
  565    HB2  HIS  75           HB2      HIS  75  -0.806   9.414  -4.211
  566    HB3  HIS  75           HB3      HIS  75  -1.145  10.477  -5.577
  567    HD1  HIS  75           HD1      HIS  75  -1.812  10.349  -1.751
  568    HD2  HIS  75           HD2      HIS  75  -2.052  12.908  -5.089
  569    HE1  HIS  75           HE1      HIS  75  -2.285  12.685  -0.846
  570    H    THR  76           H        THR  76  -3.866   9.310  -7.350
  571    HA   THR  76           HA       THR  76  -2.190   7.075  -8.343
  572    HB   THR  76           HB       THR  76  -5.066   7.457  -9.248
  573    HG1  THR  76           HG1      THR  76  -5.354   7.019  -7.094
  574   HG21  THR  76          HG21      THR  76  -3.738   6.096 -10.674
  575   HG22  THR  76          HG22      THR  76  -3.065   5.164  -9.309
  576   HG23  THR  76          HG23      THR  76  -4.784   5.015  -9.716
  577    H    LEU  77           H        LEU  77  -1.489   7.375 -10.529
  578    HA   LEU  77           HA       LEU  77  -2.093  10.048 -11.687
  579    HB2  LEU  77           HB2      LEU  77   0.274   9.559 -11.565
  580    HB3  LEU  77           HB3      LEU  77   0.023   7.980 -12.327
  581    HG   LEU  77           HG       LEU  77  -0.784   9.169 -14.397
  582   HD11  LEU  77          HD11      LEU  77  -0.123  11.577 -14.636
  583   HD12  LEU  77          HD12      LEU  77  -1.453  11.344 -13.502
  584   HD13  LEU  77          HD13      LEU  77   0.197  11.628 -12.886
  585   HD21  LEU  77          HD21      LEU  77   1.503   8.322 -14.214
  586   HD22  LEU  77          HD22      LEU  77   1.461   9.822 -15.151
  587   HD23  LEU  77          HD23      LEU  77   2.021   9.857 -13.463
  588    H    ILE  78           H        ILE  78  -3.533  10.141 -13.324
  589    HA   ILE  78           HA       ILE  78  -4.183   7.672 -14.779
  590    HB   ILE  78           HB       ILE  78  -5.839  10.020 -13.895
  591   HG12  ILE  78          HG12      ILE  78  -7.610   8.253 -13.645
  592   HG13  ILE  78          HG13      ILE  78  -6.441   7.037 -14.157
  593   HG21  ILE  78          HG21      ILE  78  -7.581   9.326 -15.608
  594   HG22  ILE  78          HG22      ILE  78  -6.208  10.279 -16.187
  595   HG23  ILE  78          HG23      ILE  78  -6.279   8.500 -16.478
  596   HD11  ILE  78          HD11      ILE  78  -6.174   8.861 -11.756
  597   HD12  ILE  78          HD12      ILE  78  -6.768   7.173 -11.707
  598   HD13  ILE  78          HD13      ILE  78  -5.093   7.500 -12.173
  599    H    VAL  79           H        VAL  79  -3.968   7.862 -17.085
  600    HA   VAL  79           HA       VAL  79  -3.239  10.451 -18.227
  601    HB   VAL  79           HB       VAL  79  -1.636   7.918 -18.705
  602   HG11  VAL  79          HG11      VAL  79  -0.115   9.419 -20.008
  603   HG12  VAL  79          HG12      VAL  79  -1.728   9.344 -20.711
  604   HG13  VAL  79          HG13      VAL  79  -1.253  10.759 -19.759
  605   HG21  VAL  79          HG21      VAL  79  -1.046   8.743 -16.539
  606   HG22  VAL  79          HG22      VAL  79   0.267   9.206 -17.627
  607   HG23  VAL  79          HG23      VAL  79  -0.920  10.416 -17.122
  608    H    ASP  80           H        ASP  80  -4.319  10.758 -20.137
  609    HA   ASP  80           HA       ASP  80  -6.042  10.426 -21.560
  610    HB2  ASP  80           HB2      ASP  80  -4.128   9.502 -22.806
  611    HB3  ASP  80           HB3      ASP  80  -4.529   7.886 -22.221
  612    H    ASN  81           H        ASN  81  -6.731   9.751 -19.002
  613    HA   ASN  81           HA       ASN  81  -8.322   8.857 -17.723
  614    HB2  ASN  81           HB2      ASN  81  -9.801   9.502 -19.551
  615    HB3  ASN  81           HB3      ASN  81  -9.639   7.893 -20.255
  616   HD21  ASN  81          HD22      ASN  81 -10.545   9.410 -17.023
  617   HD22  ASN  81          HD21      ASN  81 -11.839   8.280 -16.746
  618    H    ARG  82           H        ARG  82  -6.005   6.903 -19.011
  619    HA   ARG  82           HA       ARG  82  -7.056   4.406 -17.863
  620    HB2  ARG  82           HB2      ARG  82  -4.546   5.121 -19.459
  621    HB3  ARG  82           HB3      ARG  82  -4.690   3.619 -18.553
  622    HG2  ARG  82           HG2      ARG  82  -5.356   3.090 -20.722
  623    HG3  ARG  82           HG3      ARG  82  -6.821   3.138 -19.708
  624    HD2  ARG  82           HD2      ARG  82  -7.479   5.257 -20.664
  625    HD3  ARG  82           HD3      ARG  82  -5.941   5.387 -21.556
  626    HE   ARG  82           HE       ARG  82  -7.134   2.995 -22.376
  627   HH11  ARG  82          HH12      ARG  82  -7.896   6.455 -22.491
  628   HH12  ARG  82          HH11      ARG  82  -8.929   6.340 -23.879
  629   HH21  ARG  82          HH21      ARG  82  -8.465   2.824 -24.258
  630   HH22  ARG  82          HH22      ARG  82  -9.263   4.216 -24.901
  631    H    GLU  83           H        GLU  83  -6.026   3.417 -16.115
  632    HA   GLU  83           HA       GLU  83  -4.980   5.376 -14.215
  633    HB2  GLU  83           HB2      GLU  83  -6.921   4.163 -13.540
  634    HB3  GLU  83           HB3      GLU  83  -6.144   2.597 -13.877
  635    HG2  GLU  83           HG2      GLU  83  -4.489   3.063 -12.074
  636    HG3  GLU  83           HG3      GLU  83  -5.273   4.629 -11.816
  637    H    ILE  84           H        ILE  84  -2.956   5.367 -13.380
  638    HA   ILE  84           HA       ILE  84  -1.033   3.354 -14.394
  639    HB   ILE  84           HB       ILE  84  -0.528   6.273 -13.764
  640   HG12  ILE  84          HG12      ILE  84  -2.003   6.277 -15.668
  641   HG13  ILE  84          HG13      ILE  84  -0.370   6.714 -16.102
  642   HG21  ILE  84          HG21      ILE  84   1.424   4.861 -13.524
  643   HG22  ILE  84          HG22      ILE  84   1.152   4.122 -15.102
  644   HG23  ILE  84          HG23      ILE  84   1.576   5.860 -14.973
  645   HD11  ILE  84          HD11      ILE  84   0.012   4.506 -17.122
  646   HD12  ILE  84          HD12      ILE  84  -1.611   3.979 -16.614
  647   HD13  ILE  84          HD13      ILE  84  -1.430   5.278 -17.805
  648    HA   PRO  85           HA       PRO  85  -0.646   2.701  -9.886
  649    HB2  PRO  85           HB2      PRO  85   1.331   0.633 -10.794
  650    HB3  PRO  85           HB3      PRO  85  -0.047   0.459  -9.671
  651    HG2  PRO  85           HG2      PRO  85  -0.154  -0.521 -12.217
  652    HG3  PRO  85           HG3      PRO  85  -1.586   0.247 -11.460
  653    HD2  PRO  85           HD2      PRO  85   0.386   1.497 -13.411
  654    HD3  PRO  85           HD3      PRO  85  -1.411   1.554 -13.378
  655    H    GLU  86           H        GLU  86   0.966   3.375  -8.372
  656    HA   GLU  86           HA       GLU  86   3.243   4.894  -9.268
  657    HB2  GLU  86           HB2      GLU  86   3.625   5.440  -7.120
  658    HB3  GLU  86           HB3      GLU  86   1.880   5.240  -7.172
  659    HG2  GLU  86           HG2      GLU  86   2.202   2.918  -6.196
  660    HG3  GLU  86           HG3      GLU  86   3.938   3.285  -6.103
  661    H    ILE  87           H        ILE  87   5.478   4.353  -8.553
  662    HA   ILE  87           HA       ILE  87   6.187   1.850  -9.769
  663    HB   ILE  87           HB       ILE  87   8.531   2.586  -9.225
  664   HG12  ILE  87          HG12      ILE  87   7.386   5.200  -8.363
  665   HG13  ILE  87          HG13      ILE  87   7.820   3.962  -7.186
  666   HG21  ILE  87          HG21      ILE  87   7.406   3.066 -11.363
  667   HG22  ILE  87          HG22      ILE  87   6.803   4.605 -10.704
  668   HG23  ILE  87          HG23      ILE  87   8.546   4.343 -10.926
  669   HD11  ILE  87          HD11      ILE  87   9.696   5.491  -7.420
  670   HD12  ILE  87          HD12      ILE  87  10.139   3.897  -8.035
  671   HD13  ILE  87          HD13      ILE  87   9.765   5.205  -9.174
  672    H    ALA  88           H        ALA  88   7.499   0.178  -8.919
  673    HA   ALA  88           HA       ALA  88   7.330  -0.245  -5.996
  674    HB1  ALA  88           HB1      ALA  88   6.763  -2.304  -8.160
  675    HB2  ALA  88           HB2      ALA  88   6.689  -2.574  -6.402
  676    HB3  ALA  88           HB3      ALA  88   5.514  -1.492  -7.176
  677    H    SER  89           H        SER  89   9.438   0.716  -7.720
  678    HA   SER  89           HA       SER  89  11.486  -1.209  -8.167
  679    HB2  SER  89           HB2      SER  89  11.865   1.742  -7.536
  680    HB3  SER  89           HB3      SER  89  12.941   0.687  -8.458
  681    HG   SER  89           HG       SER  89  11.689   1.935  -9.904
  Start of MODEL   14
    1    H1   GLU   1           H1       GLU   1  18.373   0.012   2.748
    2    H2   GLU   1           H2       GLU   1  16.766  -0.204   2.513
    3    H3   GLU   1           H3       GLU   1  17.616   0.702   1.459
    4    HA   GLU   1           HA       GLU   1  17.111   1.378   4.281
    5    HB2  GLU   1           HB2      GLU   1  18.668   2.862   2.118
    6    HB3  GLU   1           HB3      GLU   1  17.977   3.672   3.523
    7    HG2  GLU   1           HG2      GLU   1  19.241   2.074   5.019
    8    HG3  GLU   1           HG3      GLU   1  20.074   1.480   3.581
    9    H    ASP   2           H        ASP   2  15.842   3.474   4.451
   10    HA   ASP   2           HA       ASP   2  13.844   3.898   2.301
   11    HB2  ASP   2           HB2      ASP   2  12.815   2.327   3.892
   12    HB3  ASP   2           HB3      ASP   2  13.280   3.365   5.248
   13    H    ARG   3           H        ARG   3  12.890   6.070   2.471
   14    HA   ARG   3           HA       ARG   3  14.107   7.919   4.407
   15    HB2  ARG   3           HB2      ARG   3  14.234   8.311   1.390
   16    HB3  ARG   3           HB3      ARG   3  14.410   9.638   2.542
   17    HG2  ARG   3           HG2      ARG   3  16.184   7.177   2.487
   18    HG3  ARG   3           HG3      ARG   3  16.568   8.702   1.699
   19    HD2  ARG   3           HD2      ARG   3  16.504   9.851   3.909
   20    HD3  ARG   3           HD3      ARG   3  16.211   8.308   4.712
   21    HE   ARG   3           HE       ARG   3  18.707   9.316   3.601
   22   HH11  ARG   3          HH11      ARG   3  17.028   6.302   4.657
   23   HH12  ARG   3          HH12      ARG   3  18.567   5.475   4.883
   24   HH21  ARG   3          HH21      ARG   3  20.653   8.050   3.915
   25   HH22  ARG   3          HH22      ARG   3  20.486   6.386   4.444
   26    H    SER   4           H        SER   4  12.726   9.705   4.837
   27    HA   SER   4           HA       SER   4   9.936   9.138   4.416
   28    HB2  SER   4           HB2      SER   4  11.238  11.470   5.872
   29    HB3  SER   4           HB3      SER   4   9.594  10.835   6.096
   30    HG   SER   4           HG       SER   4  11.025  10.049   7.714
   31    H    LYS   5           H        LYS   5  10.851   9.638   1.888
   32    HA   LYS   5           HA       LYS   5  10.806  12.402   1.083
   33    HB2  LYS   5           HB2      LYS   5  10.330   9.840  -0.516
   34    HB3  LYS   5           HB3      LYS   5  10.489  11.452  -1.222
   35    HG2  LYS   5           HG2      LYS   5  12.768  11.673  -0.354
   36    HG3  LYS   5           HG3      LYS   5  12.637  10.124   0.486
   37    HD2  LYS   5           HD2      LYS   5  13.930   9.834  -1.534
   38    HD3  LYS   5           HD3      LYS   5  12.415   8.934  -1.657
   39    HE2  LYS   5           HE2      LYS   5  11.442  10.721  -3.078
   40    HE3  LYS   5           HE3      LYS   5  12.907  11.693  -2.882
   41    HZ1  LYS   5           HZ1      LYS   5  12.800   9.045  -4.233
   42    HZ2  LYS   5           HZ2      LYS   5  12.925  10.492  -4.983
   43    HZ3  LYS   5           HZ3      LYS   5  14.149   9.957  -4.050
   44    H    THR   6           H        THR   6   8.297   9.921   1.353
   45    HA   THR   6           HA       THR   6   6.100   9.858   0.963
   46    HB   THR   6           HB       THR   6   5.880  12.764   1.786
   47    HG1  THR   6           HG1      THR   6   7.254  11.927   3.324
   48   HG21  THR   6          HG21      THR   6   3.795  11.962   2.733
   49   HG22  THR   6          HG22      THR   6   3.904  11.281   1.090
   50   HG23  THR   6          HG23      THR   6   4.266  10.261   2.476
   51    H    THR   7           H        THR   7   6.724   9.544  -1.233
   52    HA   THR   7           HA       THR   7   5.572  11.559  -3.069
   53    HB   THR   7           HB       THR   7   7.578  10.817  -4.613
   54    HG1  THR   7           HG1      THR   7   8.578   9.354  -3.210
   55   HG21  THR   7          HG21      THR   7   7.593  12.928  -2.463
   56   HG22  THR   7          HG22      THR   7   9.055  12.663  -3.437
   57   HG23  THR   7          HG23      THR   7   7.543  13.091  -4.225
   58    H    ASN   8           H        ASN   8   4.650  10.730  -4.896
   59    HA   ASN   8           HA       ASN   8   4.495   7.730  -5.240
   60    HB2  ASN   8           HB2      ASN   8   2.339   9.848  -5.667
   61    HB3  ASN   8           HB3      ASN   8   2.414   8.378  -6.629
   62   HD21  ASN   8          HD22      ASN   8   0.318   7.677  -5.788
   63   HD22  ASN   8          HD21      ASN   8   0.235   6.995  -4.190
   64    H    THR   9           H        THR   9   5.331   7.055  -7.086
   65    HA   THR   9           HA       THR   9   6.009   9.101  -9.111
   66    HB   THR   9           HB       THR   9   7.411   6.498  -8.474
   67    HG1  THR   9           HG1      THR   9   8.963   7.737  -7.573
   68   HG21  THR   9          HG21      THR   9   9.123   7.154 -10.094
   69   HG22  THR   9          HG22      THR   9   7.554   7.003 -10.895
   70   HG23  THR   9          HG23      THR   9   8.188   8.596 -10.545
   71    H    TRP  10           H        TRP  10   5.581   8.548 -11.275
   72    HA   TRP  10           HA       TRP  10   4.185   6.012 -11.899
   73    HB2  TRP  10           HB2      TRP  10   3.229   8.792 -12.728
   74    HB3  TRP  10           HB3      TRP  10   2.601   7.281 -13.362
   75    HD1  TRP  10           HD1      TRP  10   0.964   5.918 -11.824
   76    HE1  TRP  10           HE1      TRP  10  -0.402   6.454  -9.750
   77    HE3  TRP  10           HE3      TRP  10   3.324  10.210 -10.504
   78    HZ2  TRP  10           HZ2      TRP  10  -0.635   8.719  -7.885
   79    HZ3  TRP  10           HZ3      TRP  10   2.449  11.617  -8.694
   80    HH2  TRP  10           HH2      TRP  10   0.456  10.899  -7.363
   81    H    VAL  11           H        VAL  11   4.365   5.640 -14.301
   82    HA   VAL  11           HA       VAL  11   6.270   7.384 -15.624
   83    HB   VAL  11           HB       VAL  11   7.595   5.522 -14.832
   84   HG11  VAL  11          HG11      VAL  11   5.886   3.731 -14.802
   85   HG12  VAL  11          HG12      VAL  11   5.895   3.706 -16.581
   86   HG13  VAL  11          HG13      VAL  11   7.350   3.250 -15.677
   87   HG21  VAL  11          HG21      VAL  11   8.702   4.986 -16.960
   88   HG22  VAL  11          HG22      VAL  11   7.276   5.501 -17.874
   89   HG23  VAL  11          HG23      VAL  11   8.206   6.690 -16.943
   90    H    LEU  12           H        LEU  12   5.763   7.819 -17.755
   91    HA   LEU  12           HA       LEU  12   3.464   6.394 -18.951
   92    HB2  LEU  12           HB2      LEU  12   3.460   9.026 -17.889
   93    HB3  LEU  12           HB3      LEU  12   3.780   9.291 -19.578
   94    HG   LEU  12           HG       LEU  12   1.431   9.422 -19.219
   95   HD11  LEU  12          HD11      LEU  12   2.187   8.144 -21.277
   96   HD12  LEU  12          HD12      LEU  12   1.781   6.647 -20.415
   97   HD13  LEU  12          HD13      LEU  12   0.520   7.838 -20.757
   98   HD21  LEU  12          HD21      LEU  12   1.375   8.199 -17.075
   99   HD22  LEU  12          HD22      LEU  12   0.116   7.610 -18.196
  100   HD23  LEU  12          HD23      LEU  12   1.591   6.664 -17.918
  101    H    HIS  13           H        HIS  13   3.781   5.865 -21.136
  102    HA   HIS  13           HA       HIS  13   6.332   6.697 -22.329
  103    HB2  HIS  13           HB2      HIS  13   5.974   4.288 -22.054
  104    HB3  HIS  13           HB3      HIS  13   4.447   4.395 -22.928
  105    HD1  HIS  13           HD1      HIS  13   7.766   5.979 -24.207
  106    HD2  HIS  13           HD2      HIS  13   5.049   2.836 -24.940
  107    HE1  HIS  13           HE1      HIS  13   8.514   4.854 -26.368
  108    H    MET  14           H        MET  14   6.272   8.188 -24.005
  109    HA   MET  14           HA       MET  14   4.023   8.154 -25.839
  110    HB2  MET  14           HB2      MET  14   4.961  10.813 -24.690
  111    HB3  MET  14           HB3      MET  14   3.738  10.557 -25.921
  112    HG2  MET  14           HG2      MET  14   2.468  11.083 -24.123
  113    HG3  MET  14           HG3      MET  14   2.397   9.329 -24.042
  114    HE1  MET  14           HE1      MET  14   2.577  12.418 -22.096
  115    HE2  MET  14           HE2      MET  14   1.514  11.088 -21.571
  116    HE3  MET  14           HE3      MET  14   2.806  11.686 -20.496
  117    H    ASP  15           H        ASP  15   4.738   8.567 -27.900
  118    HA   ASP  15           HA       ASP  15   6.195   8.744 -29.618
  119    HB2  ASP  15           HB2      ASP  15   5.284  10.985 -29.164
  120    HB3  ASP  15           HB3      ASP  15   6.716  11.372 -28.211
  121    H    GLY  16           H        GLY  16   7.428   7.022 -27.977
  122    HA2  GLY  16           HA2      GLY  16   9.477   5.951 -28.033
  123    HA3  GLY  16           HA3      GLY  16  10.179   7.361 -28.817
  124    H    GLU  17           H        GLU  17   8.745   8.615 -26.062
  125    HA   GLU  17           HA       GLU  17  11.191   8.324 -24.453
  126    HB2  GLU  17           HB2      GLU  17   9.242  10.624 -24.796
  127    HB3  GLU  17           HB3      GLU  17  10.297  10.501 -23.381
  128    HG2  GLU  17           HG2      GLU  17  12.279  10.359 -24.885
  129    HG3  GLU  17           HG3      GLU  17  11.231  10.585 -26.287
  130    H    ASN  18           H        ASN  18  10.868   8.434 -22.112
  131    HA   ASN  18           HA       ASN  18   8.241   7.485 -21.175
  132    HB2  ASN  18           HB2      ASN  18  10.947   6.332 -20.508
  133    HB3  ASN  18           HB3      ASN  18   9.691   6.396 -19.277
  134   HD21  ASN  18          HD22      ASN  18  10.462   5.003 -22.501
  135   HD22  ASN  18          HD21      ASN  18   9.195   3.799 -22.441
  136    H    PHE  19           H        PHE  19   7.418   8.795 -19.729
  137    HA   PHE  19           HA       PHE  19   9.099  10.960 -18.569
  138    HB2  PHE  19           HB2      PHE  19   6.119  10.788 -19.145
  139    HB3  PHE  19           HB3      PHE  19   6.935  12.141 -18.371
  140    HD1  PHE  19           HD2      PHE  19   8.476  13.616 -19.652
  141    HD2  PHE  19           HD1      PHE  19   6.387  10.359 -21.543
  142    HE1  PHE  19           HE2      PHE  19   9.085  14.519 -21.884
  143    HE2  PHE  19           HE1      PHE  19   7.027  11.243 -23.773
  144    HZ   PHE  19           HZ       PHE  19   8.371  13.322 -23.952
  145    H    ARG  20           H        ARG  20   9.763  10.350 -16.573
  146    HA   ARG  20           HA       ARG  20   8.091   8.773 -14.783
  147    HB2  ARG  20           HB2      ARG  20  10.876   9.499 -14.884
  148    HB3  ARG  20           HB3      ARG  20  10.219  10.306 -13.475
  149    HG2  ARG  20           HG2      ARG  20  10.956   8.273 -12.615
  150    HG3  ARG  20           HG3      ARG  20   9.214   8.060 -12.773
  151    HD2  ARG  20           HD2      ARG  20  10.290   6.052 -13.502
  152    HD3  ARG  20           HD3      ARG  20   9.607   6.842 -14.940
  153    HE   ARG  20           HE       ARG  20  12.253   7.753 -14.688
  154   HH11  ARG  20          HH11      ARG  20  10.737   4.564 -15.168
  155   HH12  ARG  20          HH12      ARG  20  12.031   3.951 -16.134
  156   HH21  ARG  20          HH21      ARG  20  13.978   6.915 -15.940
  157   HH22  ARG  20          HH22      ARG  20  13.920   5.305 -16.555
  158    H    ILE  21           H        ILE  21   6.604   9.724 -13.415
  159    HA   ILE  21           HA       ILE  21   6.538  12.660 -13.182
  160    HB   ILE  21           HB       ILE  21   4.348  10.581 -12.972
  161   HG12  ILE  21          HG12      ILE  21   4.965  11.162 -15.267
  162   HG13  ILE  21          HG13      ILE  21   3.307  11.602 -14.880
  163   HG21  ILE  21          HG21      ILE  21   4.008  13.558 -12.467
  164   HG22  ILE  21          HG22      ILE  21   2.720  12.322 -12.511
  165   HG23  ILE  21          HG23      ILE  21   3.919  12.297 -11.223
  166   HD11  ILE  21          HD11      ILE  21   4.537  13.263 -16.261
  167   HD12  ILE  21          HD12      ILE  21   3.911  13.966 -14.759
  168   HD13  ILE  21          HD13      ILE  21   5.635  13.569 -14.919
  169    H    VAL  22           H        VAL  22   6.846  13.347 -10.956
  170    HA   VAL  22           HA       VAL  22   6.361  11.307  -8.908
  171    HB   VAL  22           HB       VAL  22   8.707  13.232  -8.825
  172   HG11  VAL  22          HG11      VAL  22   9.374  11.870  -6.846
  173   HG12  VAL  22          HG12      VAL  22   7.773  12.587  -6.603
  174   HG13  VAL  22          HG13      VAL  22   7.919  10.871  -7.046
  175   HG21  VAL  22          HG21      VAL  22   9.183  11.486 -10.507
  176   HG22  VAL  22          HG22      VAL  22  10.181  11.275  -9.066
  177   HG23  VAL  22          HG23      VAL  22   8.768  10.235  -9.310
  178    H    LEU  23           H        LEU  23   4.778  12.046  -7.651
  179    HA   LEU  23           HA       LEU  23   4.215  14.976  -7.444
  180    HB2  LEU  23           HB2      LEU  23   2.247  13.630  -7.739
  181    HB3  LEU  23           HB3      LEU  23   2.802  12.429  -6.570
  182    HG   LEU  23           HG       LEU  23   2.572  14.161  -4.731
  183   HD11  LEU  23          HD11      LEU  23   1.102  16.058  -5.086
  184   HD12  LEU  23          HD12      LEU  23   2.534  16.219  -6.088
  185   HD13  LEU  23          HD13      LEU  23   0.993  15.707  -6.823
  186   HD21  LEU  23          HD21      LEU  23   0.073  13.358  -6.206
  187   HD22  LEU  23          HD22      LEU  23   0.959  12.385  -5.013
  188   HD23  LEU  23          HD23      LEU  23   0.174  13.893  -4.508
  189    H    GLU  24           H        GLU  24   5.043  16.029  -5.695
  190    HA   GLU  24           HA       GLU  24   6.296  14.624  -3.396
  191    HB2  GLU  24           HB2      GLU  24   6.036  17.519  -4.317
  192    HB3  GLU  24           HB3      GLU  24   6.717  17.087  -2.758
  193    HG2  GLU  24           HG2      GLU  24   7.787  15.925  -5.360
  194    HG3  GLU  24           HG3      GLU  24   8.253  17.528  -4.789
  195    H    LYS  25           H        LYS  25   4.739  13.889  -1.911
  196    HA   LYS  25           HA       LYS  25   2.038  14.892  -2.219
  197    HB2  LYS  25           HB2      LYS  25   3.254  13.005  -0.217
  198    HB3  LYS  25           HB3      LYS  25   1.556  13.480  -0.180
  199    HG2  LYS  25           HG2      LYS  25   1.151  12.658  -2.426
  200    HG3  LYS  25           HG3      LYS  25   2.872  12.347  -2.687
  201    HD2  LYS  25           HD2      LYS  25   1.765  10.282  -2.301
  202    HD3  LYS  25           HD3      LYS  25   2.854  10.626  -0.946
  203    HE2  LYS  25           HE2      LYS  25   0.878  11.417   0.401
  204    HE3  LYS  25           HE3      LYS  25  -0.185  11.072  -0.966
  205    HZ1  LYS  25           HZ1      LYS  25   0.431   8.698  -0.733
  206    HZ2  LYS  25           HZ2      LYS  25   1.399   9.043   0.544
  207    HZ3  LYS  25           HZ3      LYS  25  -0.208   9.265   0.659
  208    H    ASP  26           H        ASP  26   4.640  15.654   0.087
  209    HA   ASP  26           HA       ASP  26   2.979  17.019   1.951
  210    HB2  ASP  26           HB2      ASP  26   5.197  16.252   2.564
  211    HB3  ASP  26           HB3      ASP  26   5.940  17.314   1.357
  212    H    ALA  27           H        ALA  27   4.858  18.149  -0.876
  213    HA   ALA  27           HA       ALA  27   4.065  20.909  -0.434
  214    HB1  ALA  27           HB1      ALA  27   5.702  21.395  -2.177
  215    HB2  ALA  27           HB2      ALA  27   6.399  20.306  -0.968
  216    HB3  ALA  27           HB3      ALA  27   5.864  19.669  -2.547
  217    H    MET  28           H        MET  28   2.947  18.267  -2.381
  218    HA   MET  28           HA       MET  28   1.682  17.984  -4.110
  219    HB2  MET  28           HB2      MET  28   0.363  20.602  -3.367
  220    HB3  MET  28           HB3      MET  28  -0.249  19.480  -4.583
  221    HG2  MET  28           HG2      MET  28   0.220  18.807  -1.663
  222    HG3  MET  28           HG3      MET  28  -1.342  19.190  -2.382
  223    HE1  MET  28           HE1      MET  28  -2.721  17.587  -3.951
  224    HE2  MET  28           HE2      MET  28  -1.402  17.518  -5.147
  225    HE3  MET  28           HE3      MET  28  -2.137  16.017  -4.539
  226    H    ASP  29           H        ASP  29   4.259  19.068  -4.528
  227    HA   ASP  29           HA       ASP  29   4.023  20.611  -7.050
  228    HB2  ASP  29           HB2      ASP  29   6.437  19.754  -5.406
  229    HB3  ASP  29           HB3      ASP  29   6.562  20.156  -7.111
  230    H    VAL  30           H        VAL  30   4.688  19.566  -9.056
  231    HA   VAL  30           HA       VAL  30   5.037  16.626  -8.852
  232    HB   VAL  30           HB       VAL  30   3.252  18.039 -10.836
  233   HG11  VAL  30          HG11      VAL  30   2.726  15.785 -11.685
  234   HG12  VAL  30          HG12      VAL  30   4.433  16.170 -11.924
  235   HG13  VAL  30          HG13      VAL  30   3.953  15.094 -10.591
  236   HG21  VAL  30          HG21      VAL  30   1.426  16.831  -9.896
  237   HG22  VAL  30          HG22      VAL  30   2.494  16.022  -8.720
  238   HG23  VAL  30          HG23      VAL  30   2.184  17.770  -8.620
  239    H    TRP  31           H        TRP  31   6.825  16.005  -9.730
  240    HA   TRP  31           HA       TRP  31   8.323  17.789 -11.565
  241    HB2  TRP  31           HB2      TRP  31   9.306  15.213 -10.316
  242    HB3  TRP  31           HB3      TRP  31  10.254  16.533 -10.980
  243    HD1  TRP  31           HD1      TRP  31  10.078  15.027  -7.936
  244    HE1  TRP  31           HE1      TRP  31  10.167  16.521  -5.877
  245    HE3  TRP  31           HE3      TRP  31   8.699  19.469 -10.075
  246    HZ2  TRP  31           HZ2      TRP  31   9.978  19.332  -5.267
  247    HZ3  TRP  31           HZ3      TRP  31   8.564  21.518  -8.685
  248    HH2  TRP  31           HH2      TRP  31   9.258  21.479  -6.307
  249    H    CYS  32           H        CYS  32   8.616  17.156 -13.697
  250    HA   CYS  32           HA       CYS  32   7.876  14.355 -14.442
  251    HB2  CYS  32           HB2      CYS  32   6.222  15.930 -15.299
  252    HB3  CYS  32           HB3      CYS  32   7.512  16.896 -16.075
  253    HG   CYS  32           HG       CYS  32   6.259  15.551 -17.922
  254    H    ASN  33           H        ASN  33   9.658  13.271 -15.024
  255    HA   ASN  33           HA       ASN  33  11.886  12.839 -15.227
  256    HB2  ASN  33           HB2      ASN  33  11.264  14.506 -17.680
  257    HB3  ASN  33           HB3      ASN  33  12.883  13.872 -17.421
  258   HD21  ASN  33          HD22      ASN  33  11.769  12.945 -19.691
  259   HD22  ASN  33          HD21      ASN  33  11.269  11.273 -19.466
  260    H    GLY  34           H        GLY  34  11.573  14.588 -13.196
  261    HA2  GLY  34           HA2      GLY  34  12.916  15.759 -11.773
  262    HA3  GLY  34           HA3      GLY  34  14.227  15.614 -12.951
  263    H    LYS  35           H        LYS  35  11.509  17.155 -14.398
  264    HA   LYS  35           HA       LYS  35  12.603  19.879 -13.836
  265    HB2  LYS  35           HB2      LYS  35  10.904  18.938 -16.196
  266    HB3  LYS  35           HB3      LYS  35  11.569  20.550 -15.962
  267    HG2  LYS  35           HG2      LYS  35  13.151  17.999 -16.502
  268    HG3  LYS  35           HG3      LYS  35  12.823  19.302 -17.642
  269    HD2  LYS  35           HD2      LYS  35  14.134  20.878 -16.202
  270    HD3  LYS  35           HD3      LYS  35  14.521  19.529 -15.111
  271    HE2  LYS  35           HE2      LYS  35  15.591  18.308 -16.988
  272    HE3  LYS  35           HE3      LYS  35  15.201  19.634 -18.085
  273    HZ1  LYS  35           HZ1      LYS  35  17.002  19.851 -15.727
  274    HZ2  LYS  35           HZ2      LYS  35  17.481  19.781 -17.287
  275    HZ3  LYS  35           HZ3      LYS  35  16.642  21.076 -16.758
  276    H    LYS  36           H        LYS  36  10.941  21.539 -13.450
  277    HA   LYS  36           HA       LYS  36   8.647  20.401 -12.034
  278    HB2  LYS  36           HB2      LYS  36   9.196  23.373 -12.284
  279    HB3  LYS  36           HB3      LYS  36   8.234  22.516 -11.091
  280    HG2  LYS  36           HG2      LYS  36  10.026  22.914  -9.777
  281    HG3  LYS  36           HG3      LYS  36  10.566  21.388 -10.459
  282    HD2  LYS  36           HD2      LYS  36  12.414  22.888 -10.445
  283    HD3  LYS  36           HD3      LYS  36  11.941  22.721 -12.140
  284    HE2  LYS  36           HE2      LYS  36  10.706  24.893 -12.005
  285    HE3  LYS  36           HE3      LYS  36  11.110  25.009 -10.287
  286    HZ1  LYS  36           HZ1      LYS  36  13.454  25.156 -10.911
  287    HZ2  LYS  36           HZ2      LYS  36  13.086  25.055 -12.508
  288    HZ3  LYS  36           HZ3      LYS  36  12.600  26.342 -11.634
  289    H    LEU  37           H        LEU  37   6.455  20.881 -12.614
  290    HA   LEU  37           HA       LEU  37   6.042  22.327 -15.121
  291    HB2  LEU  37           HB2      LEU  37   4.362  20.773 -15.916
  292    HB3  LEU  37           HB3      LEU  37   6.001  20.140 -15.855
  293    HG   LEU  37           HG       LEU  37   5.462  18.938 -13.784
  294   HD11  LEU  37          HD11      LEU  37   2.607  19.813 -14.377
  295   HD12  LEU  37          HD12      LEU  37   2.998  18.424 -13.345
  296   HD13  LEU  37          HD13      LEU  37   3.504  20.036 -12.859
  297   HD21  LEU  37          HD21      LEU  37   5.380  17.914 -16.061
  298   HD22  LEU  37          HD22      LEU  37   4.234  17.134 -14.950
  299   HD23  LEU  37          HD23      LEU  37   3.654  18.302 -16.162
  300    H    GLU  38           H        GLU  38   3.718  22.925 -15.393
  301    HA   GLU  38           HA       GLU  38   2.913  24.357 -13.021
  302    HB2  GLU  38           HB2      GLU  38   1.325  25.459 -14.501
  303    HB3  GLU  38           HB3      GLU  38   2.943  25.452 -15.207
  304    HG2  GLU  38           HG2      GLU  38   2.248  23.442 -16.604
  305    HG3  GLU  38           HG3      GLU  38   0.612  23.636 -15.985
  306    H    THR  39           H        THR  39   0.871  24.177 -11.981
  307    HA   THR  39           HA       THR  39  -0.853  21.850 -12.632
  308    HB   THR  39           HB       THR  39  -0.944  21.517 -10.063
  309    HG1  THR  39           HG1      THR  39   0.508  23.156  -9.426
  310   HG21  THR  39          HG21      THR  39  -0.186  19.833 -11.704
  311   HG22  THR  39          HG22      THR  39   1.445  20.518 -11.665
  312   HG23  THR  39          HG23      THR  39   0.763  19.766 -10.207
  313    H    ALA  40           H        ALA  40  -2.961  22.053 -11.992
  314    HA   ALA  40           HA       ALA  40  -3.852  24.512 -10.584
  315    HB1  ALA  40           HB1      ALA  40  -5.163  23.277 -13.066
  316    HB2  ALA  40           HB2      ALA  40  -5.841  24.580 -12.064
  317    HB3  ALA  40           HB3      ALA  40  -4.350  24.864 -12.994
  318    H    GLY  41           H        GLY  41  -5.610  23.961  -9.102
  319    HA2  GLY  41           HA2      GLY  41  -5.957  21.012  -8.702
  320    HA3  GLY  41           HA3      GLY  41  -5.672  22.158  -7.392
  321    H    GLU  42           H        GLU  42  -8.030  20.689  -9.375
  322    HA   GLU  42           HA       GLU  42 -10.095  22.630  -8.535
  323    HB2  GLU  42           HB2      GLU  42 -10.005  20.522 -10.696
  324    HB3  GLU  42           HB3      GLU  42 -11.564  20.908  -9.931
  325    HG2  GLU  42           HG2      GLU  42 -11.218  23.300 -10.362
  326    HG3  GLU  42           HG3      GLU  42  -9.692  22.944 -11.189
  327    H    PHE  43           H        PHE  43 -11.895  21.847  -7.323
  328    HA   PHE  43           HA       PHE  43 -11.301  19.373  -5.739
  329    HB2  PHE  43           HB2      PHE  43 -10.794  21.461  -4.475
  330    HB3  PHE  43           HB3      PHE  43 -12.470  21.973  -4.708
  331    HD1  PHE  43           HD1      PHE  43 -10.341  19.273  -3.207
  332    HD2  PHE  43           HD2      PHE  43 -14.195  21.219  -3.229
  333    HE1  PHE  43           HE1      PHE  43 -11.001  17.993  -1.188
  334    HE2  PHE  43           HE2      PHE  43 -14.854  19.932  -1.213
  335    HZ   PHE  43           HZ       PHE  43 -13.260  18.318  -0.187
  336    H    VAL  44           H        VAL  44 -12.970  17.991  -5.463
  337    HA   VAL  44           HA       VAL  44 -15.698  18.841  -6.195
  338    HB   VAL  44           HB       VAL  44 -15.812  16.351  -7.011
  339   HG11  VAL  44          HG11      VAL  44 -15.346  17.066  -9.300
  340   HG12  VAL  44          HG12      VAL  44 -16.236  18.292  -8.382
  341   HG13  VAL  44          HG13      VAL  44 -14.489  18.499  -8.690
  342   HG21  VAL  44          HG21      VAL  44 -12.858  16.778  -7.548
  343   HG22  VAL  44          HG22      VAL  44 -13.552  15.676  -6.330
  344   HG23  VAL  44          HG23      VAL  44 -13.875  15.413  -8.050
  345    H    ASP  45           H        ASP  45 -17.311  17.226  -5.415
  346    HA   ASP  45           HA       ASP  45 -16.894  16.684  -2.596
  347    HB2  ASP  45           HB2      ASP  45 -19.003  17.652  -3.388
  348    HB3  ASP  45           HB3      ASP  45 -19.313  16.210  -4.358
  349    H    ASP  46           H        ASP  46 -15.081  15.327  -3.737
  350    HA   ASP  46           HA       ASP  46 -15.561  12.454  -3.470
  351    HB2  ASP  46           HB2      ASP  46 -16.311  12.781  -5.766
  352    HB3  ASP  46           HB3      ASP  46 -14.903  13.773  -6.132
  353    H    GLY  47           H        GLY  47 -13.383  15.246  -4.208
  354    HA2  GLY  47           HA2      GLY  47 -11.244  14.681  -2.616
  355    HA3  GLY  47           HA3      GLY  47 -10.997  13.670  -4.052
  356    H    THR  48           H        THR  48  -9.215  14.891  -4.747
  357    HA   THR  48           HA       THR  48  -9.831  17.601  -5.802
  358    HB   THR  48           HB       THR  48  -7.066  16.861  -4.922
  359    HG1  THR  48           HG1      THR  48  -8.279  16.552  -3.034
  360   HG21  THR  48          HG21      THR  48  -7.325  18.941  -6.198
  361   HG22  THR  48          HG22      THR  48  -8.515  19.535  -5.016
  362   HG23  THR  48          HG23      THR  48  -6.825  19.280  -4.539
  363    H    GLU  49           H        GLU  49  -8.855  18.059  -7.792
  364    HA   GLU  49           HA       GLU  49  -7.567  15.817  -9.228
  365    HB2  GLU  49           HB2      GLU  49  -9.649  17.759 -10.285
  366    HB3  GLU  49           HB3      GLU  49  -8.704  16.637 -11.281
  367    HG2  GLU  49           HG2      GLU  49  -9.665  14.716 -10.132
  368    HG3  GLU  49           HG3      GLU  49 -10.568  15.759  -9.033
  369    H    THR  50           H        THR  50  -5.458  16.456  -9.345
  370    HA   THR  50           HA       THR  50  -4.814  19.337  -9.703
  371    HB   THR  50           HB       THR  50  -3.111  16.921  -9.035
  372    HG1  THR  50           HG1      THR  50  -4.382  17.753  -7.315
  373   HG21  THR  50          HG21      THR  50  -1.700  18.360 -10.340
  374   HG22  THR  50          HG22      THR  50  -2.278  19.810  -9.498
  375   HG23  THR  50          HG23      THR  50  -1.283  18.604  -8.642
  376    H    HIS  51           H        HIS  51  -4.988  19.911 -11.846
  377    HA   HIS  51           HA       HIS  51  -4.618  17.872 -13.952
  378    HB2  HIS  51           HB2      HIS  51  -5.702  20.717 -14.009
  379    HB3  HIS  51           HB3      HIS  51  -5.554  19.678 -15.418
  380    HD1  HIS  51           HD1      HIS  51  -7.398  17.770 -15.725
  381    HD2  HIS  51           HD2      HIS  51  -7.722  20.144 -12.260
  382    HE1  HIS  51           HE1      HIS  51  -9.680  17.257 -14.711
  383    H    PHE  52           H        PHE  52  -3.156  18.071 -15.652
  384    HA   PHE  52           HA       PHE  52  -1.657  20.462 -16.165
  385    HB2  PHE  52           HB2      PHE  52   0.602  19.450 -15.947
  386    HB3  PHE  52           HB3      PHE  52  -0.209  19.728 -14.427
  387    HD1  PHE  52           HD1      PHE  52  -0.994  17.918 -13.004
  388    HD2  PHE  52           HD2      PHE  52   1.191  17.132 -16.648
  389    HE1  PHE  52           HE1      PHE  52  -0.406  15.676 -12.162
  390    HE2  PHE  52           HE2      PHE  52   1.736  14.857 -15.796
  391    HZ   PHE  52           HZ       PHE  52   0.986  14.143 -13.550
  392    H    SER  53           H        SER  53   0.127  19.573 -18.032
  393    HA   SER  53           HA       SER  53  -1.081  17.485 -19.663
  394    HB2  SER  53           HB2      SER  53  -0.707  20.280 -20.803
  395    HB3  SER  53           HB3      SER  53  -1.252  18.835 -21.680
  396    HG   SER  53           HG       SER  53  -2.983  20.276 -21.021
  397    H    ILE  54           H        ILE  54   0.365  16.692 -21.240
  398    HA   ILE  54           HA       ILE  54   3.176  17.644 -21.200
  399    HB   ILE  54           HB       ILE  54   2.170  14.819 -20.640
  400   HG12  ILE  54          HG12      ILE  54   4.111  16.527 -19.014
  401   HG13  ILE  54          HG13      ILE  54   2.375  16.533 -18.714
  402   HG21  ILE  54          HG21      ILE  54   4.067  14.706 -22.238
  403   HG22  ILE  54          HG22      ILE  54   5.046  15.728 -21.165
  404   HG23  ILE  54          HG23      ILE  54   4.550  14.099 -20.660
  405   HD11  ILE  54          HD11      ILE  54   2.354  14.170 -18.200
  406   HD12  ILE  54          HD12      ILE  54   4.123  14.087 -18.452
  407   HD13  ILE  54          HD13      ILE  54   3.443  15.112 -17.162
  408    H    GLY  55           H        GLY  55   3.405  18.241 -23.297
  409    HA2  GLY  55           HA2      GLY  55   3.135  18.307 -25.589
  410    HA3  GLY  55           HA3      GLY  55   2.831  16.560 -25.549
  411    H    ASN  56           H        ASN  56   0.949  16.325 -26.695
  412    HA   ASN  56           HA       ASN  56  -1.290  18.176 -26.473
  413    HB2  ASN  56           HB2      ASN  56  -0.684  17.006 -28.578
  414    HB3  ASN  56           HB3      ASN  56  -1.009  15.448 -27.814
  415   HD21  ASN  56          HD22      ASN  56  -2.629  18.611 -28.597
  416   HD22  ASN  56          HD21      ASN  56  -4.201  17.899 -28.865
  417    H    HIS  57           H        HIS  57  -0.238  15.601 -24.438
  418    HA   HIS  57           HA       HIS  57  -2.914  14.440 -24.027
  419    HB2  HIS  57           HB2      HIS  57  -0.282  13.724 -22.686
  420    HB3  HIS  57           HB3      HIS  57  -1.764  12.780 -22.709
  421    HD1  HIS  57           HD1      HIS  57  -2.410  11.758 -25.296
  422    HD2  HIS  57           HD2      HIS  57   1.433  13.347 -24.623
  423    HE1  HIS  57           HE1      HIS  57  -0.951  10.942 -27.214
  424    H    ASP  58           H        ASP  58  -4.232  15.093 -22.347
  425    HA   ASP  58           HA       ASP  58  -3.082  16.845 -20.262
  426    HB2  ASP  58           HB2      ASP  58  -5.109  17.499 -19.620
  427    HB3  ASP  58           HB3      ASP  58  -5.385  17.289 -21.343
  428    H    CYS  59           H        CYS  59  -3.239  16.328 -18.073
  429    HA   CYS  59           HA       CYS  59  -3.520  13.482 -17.331
  430    HB2  CYS  59           HB2      CYS  59  -1.257  15.183 -16.283
  431    HB3  CYS  59           HB3      CYS  59  -1.440  13.430 -16.222
  432    HG   CYS  59           HG       CYS  59  -0.928  15.401 -18.796
  433    H    TYR  60           H        TYR  60  -4.113  13.280 -15.047
  434    HA   TYR  60           HA       TYR  60  -3.923  15.689 -13.496
  435    HB2  TYR  60           HB2      TYR  60  -6.191  15.844 -12.743
  436    HB3  TYR  60           HB3      TYR  60  -6.117  16.002 -14.486
  437    HD1  TYR  60           HD1      TYR  60  -6.876  13.472 -11.803
  438    HD2  TYR  60           HD2      TYR  60  -7.552  14.770 -15.857
  439    HE1  TYR  60           HE1      TYR  60  -8.697  11.814 -12.029
  440    HE2  TYR  60           HE2      TYR  60  -9.495  13.238 -16.027
  441    HH   TYR  60           HH       TYR  60 -10.773  11.583 -14.955
  442    H    ILE  61           H        ILE  61  -3.678  15.269 -11.280
  443    HA   ILE  61           HA       ILE  61  -3.500  12.374 -10.598
  444    HB   ILE  61           HB       ILE  61  -2.615  14.825  -9.069
  445   HG12  ILE  61          HG12      ILE  61  -0.869  12.532 -10.058
  446   HG13  ILE  61          HG13      ILE  61  -1.260  13.868 -11.127
  447   HG21  ILE  61          HG21      ILE  61  -1.703  13.252  -7.404
  448   HG22  ILE  61          HG22      ILE  61  -3.442  13.087  -7.500
  449   HG23  ILE  61          HG23      ILE  61  -2.396  11.876  -8.285
  450   HD11  ILE  61          HD11      ILE  61   0.157  14.129  -8.453
  451   HD12  ILE  61          HD12      ILE  61   0.866  14.318 -10.067
  452   HD13  ILE  61          HD13      ILE  61  -0.343  15.490  -9.480
  453    H    LYS  62           H        LYS  62  -5.269  11.462  -9.734
  454    HA   LYS  62           HA       LYS  62  -7.464  13.167  -8.692
  455    HB2  LYS  62           HB2      LYS  62  -7.601  10.972 -10.292
  456    HB3  LYS  62           HB3      LYS  62  -7.600  10.148  -8.736
  457    HG2  LYS  62           HG2      LYS  62  -9.586  11.514  -8.057
  458    HG3  LYS  62           HG3      LYS  62  -9.525  12.366  -9.605
  459    HD2  LYS  62           HD2      LYS  62  -9.877  10.211 -10.824
  460    HD3  LYS  62           HD3      LYS  62  -9.999   9.366  -9.266
  461    HE2  LYS  62           HE2      LYS  62 -11.946  10.802  -8.640
  462    HE3  LYS  62           HE3      LYS  62 -11.799  11.666 -10.174
  463    HZ1  LYS  62           HZ1      LYS  62 -12.457   8.778  -9.909
  464    HZ2  LYS  62           HZ2      LYS  62 -13.517   9.969 -10.259
  465    HZ3  LYS  62           HZ3      LYS  62 -12.340   9.597 -11.328
  466    H    ALA  63           H        ALA  63  -7.291  13.631  -6.573
  467    HA   ALA  63           HA       ALA  63  -5.828  11.782  -4.769
  468    HB1  ALA  63           HB1      ALA  63  -4.821  14.019  -4.920
  469    HB2  ALA  63           HB2      ALA  63  -6.379  14.756  -4.460
  470    HB3  ALA  63           HB3      ALA  63  -5.515  13.702  -3.323
  471    H    VAL  64           H        VAL  64  -7.570  10.411  -4.367
  472    HA   VAL  64           HA       VAL  64 -10.254  11.489  -4.196
  473    HB   VAL  64           HB       VAL  64  -9.715   8.561  -3.841
  474   HG11  VAL  64          HG11      VAL  64 -11.606  10.104  -5.667
  475   HG12  VAL  64          HG12      VAL  64 -11.656   8.364  -5.326
  476   HG13  VAL  64          HG13      VAL  64 -12.006   9.522  -4.036
  477   HG21  VAL  64          HG21      VAL  64  -8.036   8.866  -5.490
  478   HG22  VAL  64          HG22      VAL  64  -9.439   8.142  -6.263
  479   HG23  VAL  64          HG23      VAL  64  -9.115   9.873  -6.500
  480    H    SER  65           H        SER  65 -11.391  11.732  -2.282
  481    HA   SER  65           HA       SER  65 -10.075  11.146   0.212
  482    HB2  SER  65           HB2      SER  65 -12.793  12.372  -0.360
  483    HB3  SER  65           HB3      SER  65 -11.894  12.442   1.166
  484    HG   SER  65           HG       SER  65 -11.550  14.347  -0.038
  485    H    SER  66           H        SER  66 -10.758   8.731  -1.263
  486    HA   SER  66           HA       SER  66 -13.136   7.531  -0.222
  487    HB2  SER  66           HB2      SER  66 -10.643   6.145  -1.296
  488    HB3  SER  66           HB3      SER  66 -12.308   5.531  -1.266
  489    HG   SER  66           HG       SER  66 -11.887   6.316  -3.325
  490    H    GLY  67           H        GLY  67  -9.687   7.472   0.762
  491    HA2  GLY  67           HA2      GLY  67 -10.196   5.852   3.167
  492    HA3  GLY  67           HA3      GLY  67  -8.677   6.589   2.660
  493    H    LYS  68           H        LYS  68  -8.707   7.189   5.050
  494    HA   LYS  68           HA       LYS  68 -10.621   8.960   6.143
  495    HB2  LYS  68           HB2      LYS  68  -7.643   8.737   6.827
  496    HB3  LYS  68           HB3      LYS  68  -8.864   9.489   7.843
  497    HG2  LYS  68           HG2      LYS  68  -8.718   6.534   7.112
  498    HG3  LYS  68           HG3      LYS  68  -8.274   7.270   8.650
  499    HD2  LYS  68           HD2      LYS  68 -10.649   8.019   8.954
  500    HD3  LYS  68           HD3      LYS  68 -11.086   7.149   7.462
  501    HE2  LYS  68           HE2      LYS  68 -10.257   5.031   8.432
  502    HE3  LYS  68           HE3      LYS  68  -9.797   5.877   9.916
  503    HZ1  LYS  68           HZ1      LYS  68 -11.926   4.781  10.155
  504    HZ2  LYS  68           HZ2      LYS  68 -12.146   6.394  10.274
  505    HZ3  LYS  68           HZ3      LYS  68 -12.574   5.600   8.903
  506    H    ARG  69           H        ARG  69 -10.900  11.174   6.094
  507    HA   ARG  69           HA       ARG  69  -9.817  12.542   3.805
  508    HB2  ARG  69           HB2      ARG  69 -11.681  13.235   6.095
  509    HB3  ARG  69           HB3      ARG  69 -11.016  14.546   5.148
  510    HG2  ARG  69           HG2      ARG  69 -13.215  13.855   4.309
  511    HG3  ARG  69           HG3      ARG  69 -11.935  13.750   3.110
  512    HD2  ARG  69           HD2      ARG  69 -13.386  11.873   2.829
  513    HD3  ARG  69           HD3      ARG  69 -11.831  11.280   3.430
  514    HE   ARG  69           HE       ARG  69 -13.638  11.748   5.611
  515   HH11  ARG  69          HH11      ARG  69 -13.169   9.502   2.883
  516   HH12  ARG  69          HH12      ARG  69 -14.149   8.250   3.570
  517   HH21  ARG  69          HH21      ARG  69 -14.856  10.035   6.567
  518   HH22  ARG  69          HH22      ARG  69 -15.099   8.555   5.720
  519    H    LYS  70           H        LYS  70  -8.592  12.337   7.080
  520    HA   LYS  70           HA       LYS  70  -7.233  14.834   7.117
  521    HB2  LYS  70           HB2      LYS  70  -7.785  13.336   9.061
  522    HB3  LYS  70           HB3      LYS  70  -6.452  12.281   8.605
  523    HG2  LYS  70           HG2      LYS  70  -6.171  15.241   9.339
  524    HG3  LYS  70           HG3      LYS  70  -6.019  13.897  10.476
  525    HD2  LYS  70           HD2      LYS  70  -4.154  12.987   8.977
  526    HD3  LYS  70           HD3      LYS  70  -4.165  14.574   8.168
  527    HE2  LYS  70           HE2      LYS  70  -3.744  15.674  10.363
  528    HE3  LYS  70           HE3      LYS  70  -3.732  14.084  11.145
  529    HZ1  LYS  70           HZ1      LYS  70  -1.782  15.062   9.137
  530    HZ2  LYS  70           HZ2      LYS  70  -1.491  14.724  10.709
  531    HZ3  LYS  70           HZ3      LYS  70  -1.834  13.505   9.655
  532    H    GLU  71           H        GLU  71  -5.861  11.556   6.415
  533    HA   GLU  71           HA       GLU  71  -4.089  12.768   4.434
  534    HB2  GLU  71           HB2      GLU  71  -2.044  11.976   5.378
  535    HB3  GLU  71           HB3      GLU  71  -2.881  13.035   6.515
  536    HG2  GLU  71           HG2      GLU  71  -3.794  11.042   7.668
  537    HG3  GLU  71           HG3      GLU  71  -2.923  10.004   6.546
  538    H    GLY  72           H        GLY  72  -6.279  10.410   4.848
  539    HA2  GLY  72           HA2      GLY  72  -4.744   8.176   3.695
  540    HA3  GLY  72           HA3      GLY  72  -6.399   8.129   4.329
  541    H    ILE  73           H        ILE  73  -5.690  10.772   2.309
  542    HA   ILE  73           HA       ILE  73  -7.598  10.138   0.280
  543    HB   ILE  73           HB       ILE  73  -5.417  12.233   0.515
  544   HG12  ILE  73          HG12      ILE  73  -8.353  11.997   1.286
  545   HG13  ILE  73          HG13      ILE  73  -6.990  12.468   2.287
  546   HG21  ILE  73          HG21      ILE  73  -6.058  11.851  -1.875
  547   HG22  ILE  73          HG22      ILE  73  -7.751  12.208  -1.433
  548   HG23  ILE  73          HG23      ILE  73  -6.488  13.444  -1.266
  549   HD11  ILE  73          HD11      ILE  73  -8.366  14.363   1.880
  550   HD12  ILE  73          HD12      ILE  73  -6.837  14.584   0.989
  551   HD13  ILE  73          HD13      ILE  73  -8.334  14.098   0.122
  552    H    ILE  74           H        ILE  74  -7.336   9.002  -1.622
  553    HA   ILE  74           HA       ILE  74  -4.865   7.436  -1.921
  554    HB   ILE  74           HB       ILE  74  -7.554   7.350  -3.341
  555   HG12  ILE  74          HG12      ILE  74  -7.799   6.744  -0.999
  556   HG13  ILE  74          HG13      ILE  74  -8.049   5.357  -2.041
  557   HG21  ILE  74          HG21      ILE  74  -5.195   5.432  -3.544
  558   HG22  ILE  74          HG22      ILE  74  -6.829   5.097  -4.149
  559   HG23  ILE  74          HG23      ILE  74  -5.897   6.427  -4.837
  560   HD11  ILE  74          HD11      ILE  74  -5.779   4.505  -1.457
  561   HD12  ILE  74          HD12      ILE  74  -5.539   5.915  -0.393
  562   HD13  ILE  74          HD13      ILE  74  -6.804   4.736  -0.034
  563    H    HIS  75           H        HIS  75  -3.318   8.000  -3.492
  564    HA   HIS  75           HA       HIS  75  -4.062  10.258  -5.318
  565    HB2  HIS  75           HB2      HIS  75  -1.428   9.479  -4.040
  566    HB3  HIS  75           HB3      HIS  75  -1.548  10.560  -5.431
  567    HD1  HIS  75           HD1      HIS  75  -2.943  10.481  -1.761
  568    HD2  HIS  75           HD2      HIS  75  -2.153  13.044  -5.013
  569    HE1  HIS  75           HE1      HIS  75  -3.255  12.862  -0.914
  570    H    THR  76           H        THR  76  -4.353   9.695  -7.365
  571    HA   THR  76           HA       THR  76  -2.734   7.489  -8.521
  572    HB   THR  76           HB       THR  76  -5.609   8.007  -9.366
  573    HG1  THR  76           HG1      THR  76  -6.259   6.374  -7.935
  574   HG21  THR  76          HG21      THR  76  -4.348   6.755 -10.921
  575   HG22  THR  76          HG22      THR  76  -3.627   5.717  -9.664
  576   HG23  THR  76          HG23      THR  76  -5.354   5.582 -10.031
  577    H    LEU  77           H        LEU  77  -2.016   7.904 -10.686
  578    HA   LEU  77           HA       LEU  77  -2.512  10.659 -11.665
  579    HB2  LEU  77           HB2      LEU  77  -0.174   9.960 -11.638
  580    HB3  LEU  77           HB3      LEU  77  -0.584   8.497 -12.543
  581    HG   LEU  77           HG       LEU  77  -1.366   9.985 -14.441
  582   HD11  LEU  77          HD11      LEU  77  -1.746  12.097 -13.276
  583   HD12  LEU  77          HD12      LEU  77  -0.048  12.145 -12.747
  584   HD13  LEU  77          HD13      LEU  77  -0.466  12.315 -14.470
  585   HD21  LEU  77          HD21      LEU  77   0.815   8.871 -14.465
  586   HD22  LEU  77          HD22      LEU  77   0.912  10.460 -15.236
  587   HD23  LEU  77          HD23      LEU  77   1.538  10.238 -13.583
  588    H    ILE  78           H        ILE  78  -3.949  10.972 -13.270
  589    HA   ILE  78           HA       ILE  78  -4.837   8.672 -14.869
  590    HB   ILE  78           HB       ILE  78  -6.251  11.122 -13.829
  591   HG12  ILE  78          HG12      ILE  78  -8.161   9.568 -13.565
  592   HG13  ILE  78          HG13      ILE  78  -7.206   8.249 -14.248
  593   HG21  ILE  78          HG21      ILE  78  -6.622  11.546 -16.079
  594   HG22  ILE  78          HG22      ILE  78  -6.855   9.804 -16.481
  595   HG23  ILE  78          HG23      ILE  78  -8.069  10.685 -15.547
  596   HD11  ILE  78          HD11      ILE  78  -7.439   8.333 -11.729
  597   HD12  ILE  78          HD12      ILE  78  -5.775   8.220 -12.335
  598   HD13  ILE  78          HD13      ILE  78  -6.407   9.791 -11.761
  599    H    VAL  79           H        VAL  79  -4.556   8.964 -17.150
  600    HA   VAL  79           HA       VAL  79  -3.636  11.551 -18.153
  601    HB   VAL  79           HB       VAL  79  -2.224   8.935 -18.773
  602   HG11  VAL  79          HG11      VAL  79  -2.208  10.443 -20.706
  603   HG12  VAL  79          HG12      VAL  79  -1.649  11.794 -19.690
  604   HG13  VAL  79          HG13      VAL  79  -0.598  10.390 -19.995
  605   HG21  VAL  79          HG21      VAL  79  -1.336  11.300 -17.082
  606   HG22  VAL  79          HG22      VAL  79  -1.581   9.610 -16.573
  607   HG23  VAL  79          HG23      VAL  79  -0.239  10.028 -17.648
  608    H    ASP  80           H        ASP  80  -4.651  12.025 -20.074
  609    HA   ASP  80           HA       ASP  80  -6.330  11.894 -21.577
  610    HB2  ASP  80           HB2      ASP  80  -4.474  10.808 -22.776
  611    HB3  ASP  80           HB3      ASP  80  -5.050   9.228 -22.243
  612    H    ASN  81           H        ASN  81  -7.139  11.199 -19.041
  613    HA   ASN  81           HA       ASN  81  -8.771  10.390 -17.807
  614    HB2  ASN  81           HB2      ASN  81 -10.146  11.266 -19.731
  615    HB3  ASN  81           HB3      ASN  81 -10.296   9.596 -20.278
  616   HD21  ASN  81          HD22      ASN  81 -12.556   9.342 -19.869
  617   HD22  ASN  81          HD21      ASN  81 -13.247   9.454 -18.268
  618    H    ARG  82           H        ARG  82  -6.671   8.304 -19.093
  619    HA   ARG  82           HA       ARG  82  -7.998   5.867 -18.101
  620    HB2  ARG  82           HB2      ARG  82  -5.431   6.410 -19.679
  621    HB3  ARG  82           HB3      ARG  82  -5.724   4.883 -18.850
  622    HG2  ARG  82           HG2      ARG  82  -6.456   4.509 -21.014
  623    HG3  ARG  82           HG3      ARG  82  -7.909   4.713 -20.006
  624    HD2  ARG  82           HD2      ARG  82  -8.294   6.916 -20.899
  625    HD3  ARG  82           HD3      ARG  82  -6.749   6.891 -21.784
  626    HE   ARG  82           HE       ARG  82  -8.192   4.681 -22.681
  627   HH11  ARG  82          HH21      ARG  82  -8.586   8.204 -22.686
  628   HH12  ARG  82          HH22      ARG  82  -9.615   8.239 -24.082
  629   HH21  ARG  82          HH11      ARG  82  -9.543   4.703 -24.546
  630   HH22  ARG  82          HH12      ARG  82 -10.168   6.187 -25.167
  631    H    GLU  83           H        GLU  83  -7.017   4.678 -16.425
  632    HA   GLU  83           HA       GLU  83  -5.797   6.443 -14.438
  633    HB2  GLU  83           HB2      GLU  83  -7.844   5.376 -13.823
  634    HB3  GLU  83           HB3      GLU  83  -7.192   3.761 -14.207
  635    HG2  GLU  83           HG2      GLU  83  -5.512   4.040 -12.388
  636    HG3  GLU  83           HG3      GLU  83  -6.172   5.655 -12.079
  637    H    ILE  84           H        ILE  84  -3.775   6.183 -13.626
  638    HA   ILE  84           HA       ILE  84  -2.055   4.047 -14.723
  639    HB   ILE  84           HB       ILE  84  -1.292   6.905 -14.011
  640   HG12  ILE  84          HG12      ILE  84  -2.798   7.090 -15.879
  641   HG13  ILE  84          HG13      ILE  84  -1.150   7.433 -16.332
  642   HG21  ILE  84          HG21      ILE  84   0.756   6.454 -15.212
  643   HG22  ILE  84          HG22      ILE  84   0.558   5.313 -13.881
  644   HG23  ILE  84          HG23      ILE  84   0.238   4.775 -15.535
  645   HD11  ILE  84          HD11      ILE  84  -0.935   5.267 -17.464
  646   HD12  ILE  84          HD12      ILE  84  -2.550   4.791 -16.908
  647   HD13  ILE  84          HD13      ILE  84  -2.367   6.131 -18.056
  648    HA   PRO  85           HA       PRO  85  -1.733   3.402 -10.202
  649    HB2  PRO  85           HB2      PRO  85  -0.428   1.000 -10.221
  650    HB3  PRO  85           HB3      PRO  85  -2.173   1.162 -10.578
  651    HG2  PRO  85           HG2      PRO  85   0.130   0.981 -12.550
  652    HG3  PRO  85           HG3      PRO  85  -1.418   0.070 -12.564
  653    HD2  PRO  85           HD2      PRO  85  -1.022   2.317 -14.075
  654    HD3  PRO  85           HD3      PRO  85  -2.621   1.958 -13.345
  655    H    GLU  86           H        GLU  86   0.005   3.634  -8.675
  656    HA   GLU  86           HA       GLU  86   2.304   5.053  -9.662
  657    HB2  GLU  86           HB2      GLU  86   2.719   5.646  -7.505
  658    HB3  GLU  86           HB3      GLU  86   0.971   5.550  -7.553
  659    HG2  GLU  86           HG2      GLU  86   2.927   3.518  -6.424
  660    HG3  GLU  86           HG3      GLU  86   1.896   4.599  -5.491
  661    H    ILE  87           H        ILE  87   4.514   4.500  -8.867
  662    HA   ILE  87           HA       ILE  87   5.127   1.638  -8.768
  663    HB   ILE  87           HB       ILE  87   7.161   2.212 -10.027
  664   HG12  ILE  87          HG12      ILE  87   5.824   4.764 -10.932
  665   HG13  ILE  87          HG13      ILE  87   7.136   4.684  -9.757
  666   HG21  ILE  87          HG21      ILE  87   6.131   1.940 -12.223
  667   HG22  ILE  87          HG22      ILE  87   5.159   1.090 -11.015
  668   HG23  ILE  87          HG23      ILE  87   4.622   2.670 -11.641
  669   HD11  ILE  87          HD11      ILE  87   8.073   5.189 -11.971
  670   HD12  ILE  87          HD12      ILE  87   8.594   3.572 -11.481
  671   HD13  ILE  87          HD13      ILE  87   7.293   3.777 -12.674
  672    H    ALA  88           H        ALA  88   7.136   1.203  -7.718
  673    HA   ALA  88           HA       ALA  88   8.137   3.301  -5.889
  674    HB1  ALA  88           HB1      ALA  88   6.468   1.888  -4.692
  675    HB2  ALA  88           HB2      ALA  88   7.433   0.446  -5.108
  676    HB3  ALA  88           HB3      ALA  88   8.105   1.687  -4.029
  677    H    SER  89           H        SER  89   9.088   2.190  -8.377
  678    HA   SER  89           HA       SER  89  11.267   0.390  -8.051
  679    HB2  SER  89           HB2      SER  89  11.005   2.575 -10.150
  680    HB3  SER  89           HB3      SER  89  11.894   1.047 -10.274
  681    HG   SER  89           HG       SER  89   9.883   0.829 -11.340
  Start of MODEL   15
    1    H1   GLU   1           H1       GLU   1  15.419  22.473   8.251
    2    H2   GLU   1           H2       GLU   1  16.289  21.545   7.211
    3    H3   GLU   1           H3       GLU   1  14.708  21.842   6.911
    4    HA   GLU   1           HA       GLU   1  15.759  20.280   9.165
    5    HB2  GLU   1           HB2      GLU   1  13.696  21.556   9.719
    6    HB3  GLU   1           HB3      GLU   1  12.853  20.779   8.372
    7    HG2  GLU   1           HG2      GLU   1  13.174  18.565   9.449
    8    HG3  GLU   1           HG3      GLU   1  14.081  19.324  10.763
    9    H    ASP   2           H        ASP   2  16.038  18.079   8.759
   10    HA   ASP   2           HA       ASP   2  15.755  17.148   5.991
   11    HB2  ASP   2           HB2      ASP   2  17.721  16.505   7.304
   12    HB3  ASP   2           HB3      ASP   2  16.679  15.754   8.522
   13    H    ARG   3           H        ARG   3  14.155  15.819   5.223
   14    HA   ARG   3           HA       ARG   3  12.368  14.428   7.094
   15    HB2  ARG   3           HB2      ARG   3  11.426  16.325   4.898
   16    HB3  ARG   3           HB3      ARG   3  10.399  15.069   5.572
   17    HG2  ARG   3           HG2      ARG   3  11.690  17.244   7.265
   18    HG3  ARG   3           HG3      ARG   3  10.085  17.389   6.549
   19    HD2  ARG   3           HD2      ARG   3   9.290  15.442   7.796
   20    HD3  ARG   3           HD3      ARG   3  10.904  15.205   8.509
   21    HE   ARG   3           HE       ARG   3  10.405  17.759   9.236
   22   HH11  ARG   3          HH21      ARG   3   8.382  14.832   9.637
   23   HH12  ARG   3          HH22      ARG   3   7.640  15.427  11.081
   24   HH21  ARG   3          HH11      ARG   3   9.494  18.481  11.028
   25   HH22  ARG   3          HH12      ARG   3   8.263  17.600  11.919
   26    H    SER   4           H        SER   4  11.447  12.526   6.145
   27    HA   SER   4           HA       SER   4  13.123  11.242   4.247
   28    HB2  SER   4           HB2      SER   4  10.327  10.419   5.117
   29    HB3  SER   4           HB3      SER   4  11.613   9.373   4.493
   30    HG   SER   4           HG       SER   4  11.466   9.299   6.802
   31    H    LYS   5           H        LYS   5  12.716  10.598   2.093
   32    HA   LYS   5           HA       LYS   5  11.037  12.328   0.460
   33    HB2  LYS   5           HB2      LYS   5  13.182  11.416  -0.338
   34    HB3  LYS   5           HB3      LYS   5  12.566   9.765  -0.192
   35    HG2  LYS   5           HG2      LYS   5  10.851  10.219  -1.911
   36    HG3  LYS   5           HG3      LYS   5  11.413  11.891  -2.049
   37    HD2  LYS   5           HD2      LYS   5  13.076   9.406  -2.672
   38    HD3  LYS   5           HD3      LYS   5  12.220  10.388  -3.870
   39    HE2  LYS   5           HE2      LYS   5  13.594  12.369  -3.234
   40    HE3  LYS   5           HE3      LYS   5  14.456  11.395  -2.039
   41    HZ1  LYS   5           HZ1      LYS   5  15.288  10.002  -3.849
   42    HZ2  LYS   5           HZ2      LYS   5  14.499  10.905  -4.969
   43    HZ3  LYS   5           HZ3      LYS   5  15.706  11.562  -4.092
   44    H    THR   6           H        THR   6   8.988  11.860  -0.358
   45    HA   THR   6           HA       THR   6   7.883   9.144  -0.030
   46    HB   THR   6           HB       THR   6   6.081  11.452   0.654
   47    HG1  THR   6           HG1      THR   6   7.689  11.747   2.179
   48   HG21  THR   6          HG21      THR   6   5.312   9.027   0.257
   49   HG22  THR   6          HG22      THR   6   6.202   8.591   1.720
   50   HG23  THR   6          HG23      THR   6   4.839   9.735   1.816
   51    H    THR   7           H        THR   7   7.166   8.522  -1.999
   52    HA   THR   7           HA       THR   7   6.429  10.604  -3.968
   53    HB   THR   7           HB       THR   7   7.990   9.084  -5.527
   54    HG1  THR   7           HG1      THR   7   8.785   7.634  -4.030
   55   HG21  THR   7          HG21      THR   7   9.055  11.257  -3.660
   56   HG22  THR   7          HG22      THR   7   9.905  10.624  -5.084
   57   HG23  THR   7          HG23      THR   7   8.372  11.461  -5.285
   58    H    ASN   8           H        ASN   8   5.222   9.869  -5.735
   59    HA   ASN   8           HA       ASN   8   4.126   7.047  -5.695
   60    HB2  ASN   8           HB2      ASN   8   2.625   9.566  -5.499
   61    HB3  ASN   8           HB3      ASN   8   2.348   8.801  -7.051
   62   HD21  ASN   8          HD22      ASN   8   1.128   6.834  -7.149
   63   HD22  ASN   8          HD21      ASN   8   0.551   6.018  -5.696
   64    H    THR   9           H        THR   9   4.638   6.015  -7.542
   65    HA   THR   9           HA       THR   9   5.663   7.686  -9.772
   66    HB   THR   9           HB       THR   9   6.721   5.035  -8.771
   67    HG1  THR   9           HG1      THR   9   8.400   6.193  -8.020
   68   HG21  THR   9          HG21      THR   9   7.566   6.669 -11.183
   69   HG22  THR   9          HG22      THR   9   8.572   5.416 -10.424
   70   HG23  THR   9          HG23      THR   9   7.012   4.998 -11.147
   71    H    TRP  10           H        TRP  10   5.120   7.113 -11.810
   72    HA   TRP  10           HA       TRP  10   3.405   4.753 -12.314
   73    HB2  TRP  10           HB2      TRP  10   2.856   7.605 -13.297
   74    HB3  TRP  10           HB3      TRP  10   1.954   6.184 -13.767
   75    HD1  TRP  10           HD1      TRP  10   0.326   5.140 -11.995
   76    HE1  TRP  10           HE1      TRP  10  -0.877   6.050  -9.939
   77    HE3  TRP  10           HE3      TRP  10   3.131   9.327 -11.294
   78    HZ2  TRP  10           HZ2      TRP  10  -0.740   8.463  -8.285
   79    HZ3  TRP  10           HZ3      TRP  10   2.486  11.005  -9.597
   80    HH2  TRP  10           HH2      TRP  10   0.539  10.597  -8.092
   81    H    VAL  11           H        VAL  11   3.647   4.055 -14.520
   82    HA   VAL  11           HA       VAL  11   5.637   5.518 -16.098
   83    HB   VAL  11           HB       VAL  11   6.719   3.550 -15.226
   84   HG11  VAL  11          HG11      VAL  11   6.109   1.274 -15.837
   85   HG12  VAL  11          HG12      VAL  11   4.773   2.032 -14.958
   86   HG13  VAL  11          HG13      VAL  11   4.685   1.848 -16.722
   87   HG21  VAL  11          HG21      VAL  11   7.346   4.446 -17.445
   88   HG22  VAL  11          HG22      VAL  11   7.569   2.687 -17.382
   89   HG23  VAL  11          HG23      VAL  11   6.165   3.378 -18.228
   90    H    LEU  12           H        LEU  12   4.762   6.316 -17.896
   91    HA   LEU  12           HA       LEU  12   2.062   5.391 -18.604
   92    HB2  LEU  12           HB2      LEU  12   2.652   7.659 -17.538
   93    HB3  LEU  12           HB3      LEU  12   3.499   8.023 -19.047
   94    HG   LEU  12           HG       LEU  12   1.330   7.799 -20.284
   95   HD11  LEU  12          HD11      LEU  12   0.166   6.241 -18.738
   96   HD12  LEU  12          HD12      LEU  12   0.268   7.431 -17.427
   97   HD13  LEU  12          HD13      LEU  12  -0.757   7.719 -18.879
   98   HD21  LEU  12          HD21      LEU  12   0.478   9.957 -19.381
   99   HD22  LEU  12          HD22      LEU  12   1.405   9.696 -17.881
  100   HD23  LEU  12          HD23      LEU  12   2.248   9.945 -19.418
  101    H    HIS  13           H        HIS  13   1.801   4.572 -20.565
  102    HA   HIS  13           HA       HIS  13   4.058   4.574 -22.430
  103    HB2  HIS  13           HB2      HIS  13   3.051   2.411 -21.849
  104    HB3  HIS  13           HB3      HIS  13   1.467   2.981 -22.367
  105    HD1  HIS  13           HD1      HIS  13   4.780   3.239 -24.436
  106    HD2  HIS  13           HD2      HIS  13   0.957   1.446 -24.391
  107    HE1  HIS  13           HE1      HIS  13   4.545   1.937 -26.622
  108    H    MET  14           H        MET  14   3.995   5.663 -24.405
  109    HA   MET  14           HA       MET  14   1.403   6.488 -25.474
  110    HB2  MET  14           HB2      MET  14   3.710   8.449 -25.156
  111    HB3  MET  14           HB3      MET  14   2.232   8.730 -26.096
  112    HG2  MET  14           HG2      MET  14   0.891   8.474 -24.041
  113    HG3  MET  14           HG3      MET  14   2.390   8.346 -23.099
  114    HE1  MET  14           HE1      MET  14   0.683  11.869 -22.403
  115    HE2  MET  14           HE2      MET  14  -0.102  10.342 -22.860
  116    HE3  MET  14           HE3      MET  14   1.223  10.333 -21.670
  117    H    ASP  15           H        ASP  15   1.434   5.236 -27.189
  118    HA   ASP  15           HA       ASP  15   1.754   4.409 -29.204
  119    HB2  ASP  15           HB2      ASP  15   1.804   6.737 -29.820
  120    HB3  ASP  15           HB3      ASP  15   3.554   6.797 -29.598
  121    H    GLY  16           H        GLY  16   4.833   4.992 -27.628
  122    HA2  GLY  16           HA2      GLY  16   5.942   2.408 -28.298
  123    HA3  GLY  16           HA3      GLY  16   6.666   3.731 -29.238
  124    H    GLU  17           H        GLU  17   6.339   5.798 -27.133
  125    HA   GLU  17           HA       GLU  17   8.660   5.224 -25.542
  126    HB2  GLU  17           HB2      GLU  17   6.764   7.581 -25.851
  127    HB3  GLU  17           HB3      GLU  17   7.960   7.529 -24.561
  128    HG2  GLU  17           HG2      GLU  17   8.870   8.773 -26.413
  129    HG3  GLU  17           HG3      GLU  17   9.791   7.305 -26.136
  130    H    ASN  18           H        ASN  18   8.708   5.411 -23.223
  131    HA   ASN  18           HA       ASN  18   6.216   5.003 -21.733
  132    HB2  ASN  18           HB2      ASN  18   8.603   3.155 -21.701
  133    HB3  ASN  18           HB3      ASN  18   7.780   3.502 -20.193
  134   HD21  ASN  18          HD22      ASN  18   7.380   1.952 -23.374
  135   HD22  ASN  18          HD21      ASN  18   5.897   1.126 -22.962
  136    H    PHE  19           H        PHE  19   6.122   6.732 -20.450
  137    HA   PHE  19           HA       PHE  19   8.651   8.161 -19.719
  138    HB2  PHE  19           HB2      PHE  19   5.770   9.163 -19.733
  139    HB3  PHE  19           HB3      PHE  19   7.200  10.115 -19.405
  140    HD1  PHE  19           HD2      PHE  19   9.099   9.880 -21.409
  141    HD2  PHE  19           HD1      PHE  19   4.816   9.472 -21.854
  142    HE1  PHE  19           HE2      PHE  19   9.284  10.468 -23.809
  143    HE2  PHE  19           HE1      PHE  19   5.024  10.094 -24.241
  144    HZ   PHE  19           HZ       PHE  19   7.249  10.577 -25.225
  145    H    ARG  20           H        ARG  20   9.314   7.866 -17.587
  146    HA   ARG  20           HA       ARG  20   7.428   6.917 -15.578
  147    HB2  ARG  20           HB2      ARG  20  10.324   7.797 -15.422
  148    HB3  ARG  20           HB3      ARG  20   9.324   7.505 -13.992
  149    HG2  ARG  20           HG2      ARG  20   8.708   5.275 -15.484
  150    HG3  ARG  20           HG3      ARG  20  10.392   5.527 -15.969
  151    HD2  ARG  20           HD2      ARG  20   9.275   5.323 -13.154
  152    HD3  ARG  20           HD3      ARG  20  10.087   4.005 -14.027
  153    HE   ARG  20           HE       ARG  20  11.815   6.269 -13.961
  154   HH11  ARG  20          HH21      ARG  20  10.629   3.693 -11.807
  155   HH12  ARG  20          HH22      ARG  20  11.978   3.785 -10.730
  156   HH21  ARG  20          HH11      ARG  20  13.612   6.381 -12.527
  157   HH22  ARG  20          HH12      ARG  20  13.713   5.335 -11.163
  158    H    ILE  21           H        ILE  21   6.426   8.037 -14.098
  159    HA   ILE  21           HA       ILE  21   6.614  10.977 -14.064
  160    HB   ILE  21           HB       ILE  21   4.156   9.320 -13.468
  161   HG12  ILE  21          HG12      ILE  21   4.641   9.383 -15.856
  162   HG13  ILE  21          HG13      ILE  21   3.132  10.194 -15.447
  163   HG21  ILE  21          HG21      ILE  21   4.205  11.323 -12.024
  164   HG22  ILE  21          HG22      ILE  21   4.502  12.340 -13.458
  165   HG23  ILE  21          HG23      ILE  21   2.958  11.470 -13.262
  166   HD11  ILE  21          HD11      ILE  21   4.458  11.335 -17.194
  167   HD12  ILE  21          HD12      ILE  21   4.200  12.382 -15.779
  168   HD13  ILE  21          HD13      ILE  21   5.773  11.585 -16.049
  169    H    VAL  22           H        VAL  22   7.265  11.626 -11.928
  170    HA   VAL  22           HA       VAL  22   6.559   9.818  -9.733
  171    HB   VAL  22           HB       VAL  22   9.228  11.258  -9.962
  172   HG11  VAL  22          HG11      VAL  22   8.134   9.291  -7.899
  173   HG12  VAL  22          HG12      VAL  22   9.785   9.960  -7.908
  174   HG13  VAL  22          HG13      VAL  22   8.398  11.028  -7.642
  175   HG21  VAL  22          HG21      VAL  22   8.658   8.283 -10.180
  176   HG22  VAL  22          HG22      VAL  22   9.213   9.335 -11.505
  177   HG23  VAL  22          HG23      VAL  22  10.262   9.028 -10.114
  178    H    LEU  23           H        LEU  23   5.194  10.901  -8.492
  179    HA   LEU  23           HA       LEU  23   5.204  13.889  -8.416
  180    HB2  LEU  23           HB2      LEU  23   3.023  12.981  -8.479
  181    HB3  LEU  23           HB3      LEU  23   3.411  11.688  -7.353
  182    HG   LEU  23           HG       LEU  23   3.668  13.337  -5.494
  183   HD11  LEU  23          HD11      LEU  23   2.804  15.585  -5.664
  184   HD12  LEU  23          HD12      LEU  23   4.147  15.402  -6.782
  185   HD13  LEU  23          HD13      LEU  23   2.477  15.390  -7.399
  186   HD21  LEU  23          HD21      LEU  23   1.407  13.611  -4.984
  187   HD22  LEU  23          HD22      LEU  23   0.929  13.628  -6.684
  188   HD23  LEU  23          HD23      LEU  23   1.514  12.115  -5.924
  189    H    GLU  24           H        GLU  24   6.621  14.787  -6.954
  190    HA   GLU  24           HA       GLU  24   7.641  13.329  -4.632
  191    HB2  GLU  24           HB2      GLU  24   8.539  15.427  -6.361
  192    HB3  GLU  24           HB3      GLU  24   8.226  16.214  -4.819
  193    HG2  GLU  24           HG2      GLU  24   9.823  13.673  -5.191
  194    HG3  GLU  24           HG3      GLU  24  10.527  15.290  -5.183
  195    H    LYS  25           H        LYS  25   6.371  13.217  -2.851
  196    HA   LYS  25           HA       LYS  25   3.878  14.734  -2.815
  197    HB2  LYS  25           HB2      LYS  25   5.103  12.799  -0.833
  198    HB3  LYS  25           HB3      LYS  25   3.502  13.514  -0.673
  199    HG2  LYS  25           HG2      LYS  25   2.705  12.478  -2.701
  200    HG3  LYS  25           HG3      LYS  25   4.318  11.857  -3.109
  201    HD2  LYS  25           HD2      LYS  25   4.342  10.415  -1.170
  202    HD3  LYS  25           HD3      LYS  25   2.816  11.121  -0.568
  203    HE2  LYS  25           HE2      LYS  25   1.633  10.296  -2.596
  204    HE3  LYS  25           HE3      LYS  25   3.141   9.591  -3.198
  205    HZ1  LYS  25           HZ1      LYS  25   1.696   8.723  -0.739
  206    HZ2  LYS  25           HZ2      LYS  25   1.796   7.913  -2.171
  207    HZ3  LYS  25           HZ3      LYS  25   3.126   8.089  -1.249
  208    H    ASP  26           H        ASP  26   7.099  15.152  -1.375
  209    HA   ASP  26           HA       ASP  26   6.196  16.705   0.871
  210    HB2  ASP  26           HB2      ASP  26   8.396  15.630   0.887
  211    HB3  ASP  26           HB3      ASP  26   8.907  16.615  -0.494
  212    H    ALA  27           H        ALA  27   7.439  17.497  -2.382
  213    HA   ALA  27           HA       ALA  27   6.988  20.347  -1.985
  214    HB1  ALA  27           HB1      ALA  27   8.180  20.566  -4.118
  215    HB2  ALA  27           HB2      ALA  27   9.087  19.526  -3.003
  216    HB3  ALA  27           HB3      ALA  27   8.152  18.806  -4.339
  217    H    MET  28           H        MET  28   5.241  17.674  -3.370
  218    HA   MET  28           HA       MET  28   3.588  17.410  -4.773
  219    HB2  MET  28           HB2      MET  28   2.688  20.148  -3.842
  220    HB3  MET  28           HB3      MET  28   1.763  19.141  -4.953
  221    HG2  MET  28           HG2      MET  28   2.619  18.346  -2.156
  222    HG3  MET  28           HG3      MET  28   1.008  18.866  -2.632
  223    HE1  MET  28           HE1      MET  28  -0.676  17.408  -4.131
  224    HE2  MET  28           HE2      MET  28   0.519  17.217  -5.442
  225    HE3  MET  28           HE3      MET  28  -0.294  15.791  -4.760
  226    H    ASP  29           H        ASP  29   5.867  17.708  -5.894
  227    HA   ASP  29           HA       ASP  29   5.502  19.414  -8.291
  228    HB2  ASP  29           HB2      ASP  29   7.469  20.054  -6.758
  229    HB3  ASP  29           HB3      ASP  29   8.188  18.496  -7.204
  230    H    VAL  30           H        VAL  30   6.119  18.269 -10.289
  231    HA   VAL  30           HA       VAL  30   6.084  15.310  -9.926
  232    HB   VAL  30           HB       VAL  30   4.373  16.861 -11.873
  233   HG11  VAL  30          HG11      VAL  30   4.636  13.872 -11.356
  234   HG12  VAL  30          HG12      VAL  30   3.430  14.637 -12.431
  235   HG13  VAL  30          HG13      VAL  30   5.149  14.726 -12.830
  236   HG21  VAL  30          HG21      VAL  30   3.469  16.973  -9.572
  237   HG22  VAL  30          HG22      VAL  30   2.467  16.038 -10.676
  238   HG23  VAL  30          HG23      VAL  30   3.518  15.195  -9.500
  239    H    TRP  31           H        TRP  31   7.829  14.513 -10.654
  240    HA   TRP  31           HA       TRP  31   9.473  15.730 -12.720
  241    HB2  TRP  31           HB2      TRP  31   9.785  13.003 -11.413
  242    HB3  TRP  31           HB3      TRP  31  11.024  14.017 -12.113
  243    HD1  TRP  31           HD1      TRP  31   9.345  13.190  -8.843
  244    HE1  TRP  31           HE1      TRP  31  10.432  14.460  -6.945
  245    HE3  TRP  31           HE3      TRP  31  12.002  16.529 -11.563
  246    HZ2  TRP  31           HZ2      TRP  31  12.348  16.611  -6.605
  247    HZ3  TRP  31           HZ3      TRP  31  13.577  18.133 -10.433
  248    HH2  TRP  31           HH2      TRP  31  13.727  18.185  -7.962
  249    H    CYS  32           H        CYS  32   8.904  15.282 -14.893
  250    HA   CYS  32           HA       CYS  32   7.831  12.556 -15.513
  251    HB2  CYS  32           HB2      CYS  32   6.191  14.242 -16.091
  252    HB3  CYS  32           HB3      CYS  32   7.433  15.205 -16.946
  253    HG   CYS  32           HG       CYS  32   5.896  14.117 -18.740
  254    H    ASN  33           H        ASN  33   9.263  11.325 -16.560
  255    HA   ASN  33           HA       ASN  33  11.264  10.641 -17.397
  256    HB2  ASN  33           HB2      ASN  33   9.993  11.512 -19.401
  257    HB3  ASN  33           HB3      ASN  33  10.943  12.995 -19.299
  258   HD21  ASN  33          HD22      ASN  33  11.380   9.365 -19.514
  259   HD22  ASN  33          HD21      ASN  33  12.796   9.474 -20.523
  260    H    GLY  34           H        GLY  34  11.567  12.209 -15.084
  261    HA2  GLY  34           HA2      GLY  34  13.349  12.868 -13.815
  262    HA3  GLY  34           HA3      GLY  34  14.387  12.801 -15.239
  263    H    LYS  35           H        LYS  35  11.774  14.887 -15.985
  264    HA   LYS  35           HA       LYS  35  13.317  17.301 -15.089
  265    HB2  LYS  35           HB2      LYS  35  11.517  16.957 -17.532
  266    HB3  LYS  35           HB3      LYS  35  12.365  18.425 -17.079
  267    HG2  LYS  35           HG2      LYS  35  13.635  15.799 -17.964
  268    HG3  LYS  35           HG3      LYS  35  13.462  17.248 -18.939
  269    HD2  LYS  35           HD2      LYS  35  15.190  17.008 -16.437
  270    HD3  LYS  35           HD3      LYS  35  15.754  16.927 -18.108
  271    HE2  LYS  35           HE2      LYS  35  14.900  19.238 -18.514
  272    HE3  LYS  35           HE3      LYS  35  14.414  19.351 -16.817
  273    HZ1  LYS  35           HZ1      LYS  35  16.756  19.085 -16.200
  274    HZ2  LYS  35           HZ2      LYS  35  17.200  18.976 -17.773
  275    HZ3  LYS  35           HZ3      LYS  35  16.577  20.367 -17.194
  276    H    LYS  36           H        LYS  36  12.057  19.029 -14.146
  277    HA   LYS  36           HA       LYS  36   9.527  18.262 -12.969
  278    HB2  LYS  36           HB2      LYS  36  10.771  21.017 -13.290
  279    HB3  LYS  36           HB3      LYS  36   9.425  20.611 -12.217
  280    HG2  LYS  36           HG2      LYS  36  10.769  19.620 -10.629
  281    HG3  LYS  36           HG3      LYS  36  11.919  19.022 -11.808
  282    HD2  LYS  36           HD2      LYS  36  13.015  20.690 -10.466
  283    HD3  LYS  36           HD3      LYS  36  12.890  21.181 -12.148
  284    HE2  LYS  36           HE2      LYS  36  12.433  23.140 -10.878
  285    HE3  LYS  36           HE3      LYS  36  10.867  22.608 -11.495
  286    HZ1  LYS  36           HZ1      LYS  36  11.891  22.122  -8.745
  287    HZ2  LYS  36           HZ2      LYS  36  10.746  23.206  -9.158
  288    HZ3  LYS  36           HZ3      LYS  36  10.427  21.608  -9.291
  289    H    LEU  37           H        LEU  37   7.433  18.821 -13.711
  290    HA   LEU  37           HA       LEU  37   7.280  20.444 -16.166
  291    HB2  LEU  37           HB2      LEU  37   5.263  19.306 -16.873
  292    HB3  LEU  37           HB3      LEU  37   6.754  18.373 -16.949
  293    HG   LEU  37           HG       LEU  37   6.150  17.172 -14.944
  294   HD11  LEU  37          HD11      LEU  37   3.526  18.693 -15.085
  295   HD12  LEU  37          HD12      LEU  37   3.713  17.171 -14.195
  296   HD13  LEU  37          HD13      LEU  37   4.644  18.583 -13.705
  297   HD21  LEU  37          HD21      LEU  37   5.563  16.363 -17.230
  298   HD22  LEU  37          HD22      LEU  37   4.425  15.767 -16.003
  299   HD23  LEU  37          HD23      LEU  37   3.965  17.112 -17.076
  300    H    GLU  38           H        GLU  38   5.176  21.502 -16.425
  301    HA   GLU  38           HA       GLU  38   4.701  23.167 -14.128
  302    HB2  GLU  38           HB2      GLU  38   2.984  24.215 -15.650
  303    HB3  GLU  38           HB3      GLU  38   4.651  24.303 -16.194
  304    HG2  GLU  38           HG2      GLU  38   2.953  22.002 -17.200
  305    HG3  GLU  38           HG3      GLU  38   2.651  23.617 -17.832
  306    H    THR  39           H        THR  39   2.813  23.325 -12.896
  307    HA   THR  39           HA       THR  39   0.697  21.271 -13.238
  308    HB   THR  39           HB       THR  39   0.831  21.063 -10.667
  309    HG1  THR  39           HG1      THR  39   2.548  22.493 -10.240
  310   HG21  THR  39          HG21      THR  39   2.275  19.088 -10.879
  311   HG22  THR  39          HG22      THR  39   1.179  19.218 -12.264
  312   HG23  THR  39          HG23      THR  39   2.886  19.676 -12.438
  313    H    ALA  40           H        ALA  40  -1.277  21.820 -12.408
  314    HA   ALA  40           HA       ALA  40  -1.649  24.457 -11.085
  315    HB1  ALA  40           HB1      ALA  40  -3.424  23.257 -13.270
  316    HB2  ALA  40           HB2      ALA  40  -3.792  24.706 -12.322
  317    HB3  ALA  40           HB3      ALA  40  -2.414  24.717 -13.439
  318    H    GLY  41           H        GLY  41  -3.306  24.251  -9.386
  319    HA2  GLY  41           HA2      GLY  41  -3.994  21.413  -8.718
  320    HA3  GLY  41           HA3      GLY  41  -3.413  22.588  -7.534
  321    H    GLU  42           H        GLU  42  -6.151  21.332  -9.108
  322    HA   GLU  42           HA       GLU  42  -7.814  23.602  -8.200
  323    HB2  GLU  42           HB2      GLU  42  -8.260  21.460 -10.286
  324    HB3  GLU  42           HB3      GLU  42  -9.650  22.085  -9.385
  325    HG2  GLU  42           HG2      GLU  42  -9.005  24.395  -9.938
  326    HG3  GLU  42           HG3      GLU  42  -7.643  23.798 -10.899
  327    H    PHE  43           H        PHE  43  -9.573  23.145  -6.801
  328    HA   PHE  43           HA       PHE  43  -9.164  20.693  -5.122
  329    HB2  PHE  43           HB2      PHE  43  -9.815  23.517  -4.203
  330    HB3  PHE  43           HB3      PHE  43  -9.803  22.082  -3.190
  331    HD1  PHE  43           HD2      PHE  43  -7.694  20.984  -2.523
  332    HD2  PHE  43           HD1      PHE  43  -7.687  24.514  -5.005
  333    HE1  PHE  43           HE2      PHE  43  -5.287  21.307  -2.060
  334    HE2  PHE  43           HE1      PHE  43  -5.265  24.819  -4.554
  335    HZ   PHE  43           HZ       PHE  43  -4.059  23.223  -3.078
  336    H    VAL  44           H        VAL  44 -10.950  19.530  -4.699
  337    HA   VAL  44           HA       VAL  44 -13.618  20.695  -5.211
  338    HB   VAL  44           HB       VAL  44 -14.122  18.220  -5.859
  339   HG11  VAL  44          HG11      VAL  44 -12.697  20.102  -7.768
  340   HG12  VAL  44          HG12      VAL  44 -13.778  18.761  -8.224
  341   HG13  VAL  44          HG13      VAL  44 -14.422  20.124  -7.298
  342   HG21  VAL  44          HG21      VAL  44 -11.919  17.273  -5.345
  343   HG22  VAL  44          HG22      VAL  44 -12.423  16.986  -7.018
  344   HG23  VAL  44          HG23      VAL  44 -11.203  18.224  -6.677
  345    H    ASP  45           H        ASP  45 -15.332  19.360  -4.185
  346    HA   ASP  45           HA       ASP  45 -14.726  18.931  -1.379
  347    HB2  ASP  45           HB2      ASP  45 -16.750  20.125  -2.065
  348    HB3  ASP  45           HB3      ASP  45 -17.342  18.683  -2.891
  349    H    ASP  46           H        ASP  46 -13.213  17.261  -2.595
  350    HA   ASP  46           HA       ASP  46 -14.076  14.514  -2.096
  351    HB2  ASP  46           HB2      ASP  46 -15.003  14.820  -4.333
  352    HB3  ASP  46           HB3      ASP  46 -13.527  15.596  -4.896
  353    H    GLY  47           H        GLY  47 -11.626  16.884  -3.300
  354    HA2  GLY  47           HA2      GLY  47  -9.442  16.079  -1.850
  355    HA3  GLY  47           HA3      GLY  47  -9.473  15.010  -3.267
  356    H    THR  48           H        THR  48  -7.622  15.919  -4.197
  357    HA   THR  48           HA       THR  48  -7.948  18.660  -5.302
  358    HB   THR  48           HB       THR  48  -5.263  17.449  -4.701
  359    HG1  THR  48           HG1      THR  48  -6.318  17.545  -2.687
  360   HG21  THR  48          HG21      THR  48  -6.174  20.326  -4.974
  361   HG22  THR  48          HG22      THR  48  -4.524  19.807  -4.576
  362   HG23  THR  48          HG23      THR  48  -5.215  19.407  -6.151
  363    H    GLU  49           H        GLU  49  -7.156  18.898  -7.405
  364    HA   GLU  49           HA       GLU  49  -6.418  16.453  -8.888
  365    HB2  GLU  49           HB2      GLU  49  -8.260  18.692  -9.793
  366    HB3  GLU  49           HB3      GLU  49  -7.618  17.414 -10.840
  367    HG2  GLU  49           HG2      GLU  49  -8.760  15.692  -9.541
  368    HG3  GLU  49           HG3      GLU  49  -9.365  16.893  -8.399
  369    H    THR  50           H        THR  50  -4.261  16.749  -9.239
  370    HA   THR  50           HA       THR  50  -3.204  19.481  -9.757
  371    HB   THR  50           HB       THR  50  -1.847  16.823  -9.226
  372    HG1  THR  50           HG1      THR  50  -2.731  17.855  -7.389
  373   HG21  THR  50          HG21      THR  50   0.267  18.181  -9.101
  374   HG22  THR  50          HG22      THR  50  -0.383  17.997 -10.731
  375   HG23  THR  50          HG23      THR  50  -0.616  19.530  -9.869
  376    H    HIS  51           H        HIS  51  -3.550  20.044 -11.887
  377    HA   HIS  51           HA       HIS  51  -3.761  17.946 -13.961
  378    HB2  HIS  51           HB2      HIS  51  -4.383  20.920 -13.983
  379    HB3  HIS  51           HB3      HIS  51  -4.541  19.858 -15.378
  380    HD1  HIS  51           HD1      HIS  51  -6.682  18.255 -15.454
  381    HD2  HIS  51           HD2      HIS  51  -6.275  20.672 -12.023
  382    HE1  HIS  51           HE1      HIS  51  -8.891  18.106 -14.204
  383    H    PHE  52           H        PHE  52  -2.472  17.869 -15.792
  384    HA   PHE  52           HA       PHE  52  -0.653  19.959 -16.546
  385    HB2  PHE  52           HB2      PHE  52   1.405  18.532 -16.507
  386    HB3  PHE  52           HB3      PHE  52   0.826  19.047 -14.950
  387    HD1  PHE  52           HD2      PHE  52  -0.197  17.521 -13.339
  388    HD2  PHE  52           HD1      PHE  52   1.572  16.115 -17.019
  389    HE1  PHE  52           HE2      PHE  52   0.031  15.281 -12.358
  390    HE2  PHE  52           HE1      PHE  52   1.789  13.840 -16.008
  391    HZ   PHE  52           HZ       PHE  52   1.064  13.432 -13.684
  392    H    SER  53           H        SER  53   0.808  18.604 -18.478
  393    HA   SER  53           HA       SER  53  -1.031  16.932 -20.035
  394    HB2  SER  53           HB2      SER  53   0.060  19.565 -21.127
  395    HB3  SER  53           HB3      SER  53  -0.908  18.376 -22.010
  396    HG   SER  53           HG       SER  53  -2.157  20.170 -21.220
  397    H    ILE  54           H        ILE  54   0.048  15.738 -21.651
  398    HA   ILE  54           HA       ILE  54   2.970  15.975 -21.940
  399    HB   ILE  54           HB       ILE  54   1.567  13.434 -20.976
  400   HG12  ILE  54          HG12      ILE  54   3.729  15.088 -19.594
  401   HG13  ILE  54          HG13      ILE  54   2.021  15.083 -19.156
  402   HG21  ILE  54          HG21      ILE  54   3.381  12.989 -22.681
  403   HG22  ILE  54          HG22      ILE  54   4.529  13.834 -21.629
  404   HG23  ILE  54          HG23      ILE  54   3.746  12.322 -21.107
  405   HD11  ILE  54          HD11      ILE  54   3.269  13.732 -17.638
  406   HD12  ILE  54          HD12      ILE  54   2.096  12.738 -18.530
  407   HD13  ILE  54          HD13      ILE  54   3.832  12.671 -18.939
  408    H    GLY  55           H        GLY  55   3.443  15.576 -24.108
  409    HA2  GLY  55           HA2      GLY  55   3.035  15.191 -26.342
  410    HA3  GLY  55           HA3      GLY  55   1.976  13.855 -25.844
  411    H    ASN  56           H        ASN  56   0.064  14.165 -26.899
  412    HA   ASN  56           HA       ASN  56  -1.206  16.842 -26.854
  413    HB2  ASN  56           HB2      ASN  56  -0.770  15.822 -29.106
  414    HB3  ASN  56           HB3      ASN  56  -1.865  14.508 -28.669
  415   HD21  ASN  56          HD22      ASN  56  -3.242  15.151 -30.505
  416   HD22  ASN  56          HD21      ASN  56  -4.266  16.563 -30.397
  417    H    HIS  57           H        HIS  57  -1.120  15.182 -24.489
  418    HA   HIS  57           HA       HIS  57  -3.984  14.449 -24.168
  419    HB2  HIS  57           HB2      HIS  57  -1.669  12.953 -22.904
  420    HB3  HIS  57           HB3      HIS  57  -3.369  12.498 -22.930
  421    HD1  HIS  57           HD1      HIS  57  -4.253  11.489 -25.401
  422    HD2  HIS  57           HD2      HIS  57  -0.143  12.284 -24.948
  423    HE1  HIS  57           HE1      HIS  57  -3.075  10.339 -27.343
  424    H    ASP  58           H        ASP  58  -4.845  14.967 -22.115
  425    HA   ASP  58           HA       ASP  58  -3.111  16.618 -20.366
  426    HB2  ASP  58           HB2      ASP  58  -4.860  17.637 -19.458
  427    HB3  ASP  58           HB3      ASP  58  -5.453  17.444 -21.099
  428    H    CYS  59           H        CYS  59  -3.073  16.155 -18.117
  429    HA   CYS  59           HA       CYS  59  -3.721  13.396 -17.286
  430    HB2  CYS  59           HB2      CYS  59  -1.124  14.739 -16.520
  431    HB3  CYS  59           HB3      CYS  59  -1.576  13.042 -16.367
  432    HG   CYS  59           HG       CYS  59  -1.009  14.843 -19.054
  433    H    TYR  60           H        TYR  60  -4.110  13.316 -14.946
  434    HA   TYR  60           HA       TYR  60  -3.383  15.680 -13.493
  435    HB2  TYR  60           HB2      TYR  60  -5.505  16.203 -12.513
  436    HB3  TYR  60           HB3      TYR  60  -5.587  16.317 -14.265
  437    HD1  TYR  60           HD1      TYR  60  -6.457  13.981 -11.437
  438    HD2  TYR  60           HD2      TYR  60  -7.349  15.328 -15.431
  439    HE1  TYR  60           HE1      TYR  60  -8.536  12.645 -11.419
  440    HE2  TYR  60           HE2      TYR  60  -9.521  14.137 -15.350
  441    HH   TYR  60           HH       TYR  60 -10.937  12.740 -14.092
  442    H    ILE  61           H        ILE  61  -2.939  15.255 -11.321
  443    HA   ILE  61           HA       ILE  61  -3.166  12.382 -10.564
  444    HB   ILE  61           HB       ILE  61  -1.685  14.666  -9.240
  445   HG12  ILE  61          HG12      ILE  61  -0.484  12.092 -10.329
  446   HG13  ILE  61          HG13      ILE  61  -0.800  13.429 -11.419
  447   HG21  ILE  61          HG21      ILE  61  -2.551  13.180  -7.492
  448   HG22  ILE  61          HG22      ILE  61  -1.981  11.741  -8.381
  449   HG23  ILE  61          HG23      ILE  61  -0.830  12.887  -7.676
  450   HD11  ILE  61          HD11      ILE  61   0.572  14.947  -9.995
  451   HD12  ILE  61          HD12      ILE  61   0.965  13.570  -8.952
  452   HD13  ILE  61          HD13      ILE  61   1.499  13.574 -10.643
  453    H    LYS  62           H        LYS  62  -4.955  11.806  -9.519
  454    HA   LYS  62           HA       LYS  62  -6.705  13.843  -8.267
  455    HB2  LYS  62           HB2      LYS  62  -7.372  11.700  -9.776
  456    HB3  LYS  62           HB3      LYS  62  -7.265  10.863  -8.234
  457    HG2  LYS  62           HG2      LYS  62  -8.935  12.465  -7.290
  458    HG3  LYS  62           HG3      LYS  62  -8.978  13.324  -8.838
  459    HD2  LYS  62           HD2      LYS  62  -9.791  11.264  -9.983
  460    HD3  LYS  62           HD3      LYS  62  -9.756  10.398  -8.432
  461    HE2  LYS  62           HE2      LYS  62 -11.386  12.021  -7.482
  462    HE3  LYS  62           HE3      LYS  62 -11.410  12.909  -9.010
  463    HZ1  LYS  62           HZ1      LYS  62 -12.325  10.099  -8.672
  464    HZ2  LYS  62           HZ2      LYS  62 -13.297  11.404  -8.814
  465    HZ3  LYS  62           HZ3      LYS  62 -12.367  10.944 -10.076
  466    H    ALA  63           H        ALA  63  -6.295  14.266  -6.155
  467    HA   ALA  63           HA       ALA  63  -4.863  12.246  -4.514
  468    HB1  ALA  63           HB1      ALA  63  -4.804  15.278  -4.314
  469    HB2  ALA  63           HB2      ALA  63  -3.975  14.132  -3.242
  470    HB3  ALA  63           HB3      ALA  63  -3.493  14.247  -4.944
  471    H    VAL  64           H        VAL  64  -6.706  11.245  -3.745
  472    HA   VAL  64           HA       VAL  64  -9.106  12.790  -3.224
  473    HB   VAL  64           HB       VAL  64  -8.925   9.808  -2.744
  474   HG11  VAL  64          HG11      VAL  64 -11.008  11.575  -4.083
  475   HG12  VAL  64          HG12      VAL  64 -11.186   9.852  -3.682
  476   HG13  VAL  64          HG13      VAL  64 -11.041  11.045  -2.390
  477   HG21  VAL  64          HG21      VAL  64  -8.910  10.994  -5.541
  478   HG22  VAL  64          HG22      VAL  64  -7.710   9.882  -4.817
  479   HG23  VAL  64          HG23      VAL  64  -9.344   9.319  -5.140
  480    H    SER  65           H        SER  65  -9.679  13.427  -1.137
  481    HA   SER  65           HA       SER  65  -8.164  12.489   1.160
  482    HB2  SER  65           HB2      SER  65 -10.505  14.419   1.061
  483    HB3  SER  65           HB3      SER  65  -9.306  14.223   2.357
  484    HG   SER  65           HG       SER  65  -8.779  16.008   1.025
  485    H    SER  66           H        SER  66  -9.241  10.286   0.152
  486    HA   SER  66           HA       SER  66 -11.855   9.568   1.023
  487    HB2  SER  66           HB2      SER  66  -9.401   7.878   0.376
  488    HB3  SER  66           HB3      SER  66 -11.072   7.274   0.497
  489    HG   SER  66           HG       SER  66 -10.665   7.688  -1.652
  490    H    GLY  67           H        GLY  67 -12.420   7.987   2.674
  491    HA2  GLY  67           HA2      GLY  67 -12.255   6.864   4.684
  492    HA3  GLY  67           HA3      GLY  67 -10.530   7.235   4.741
  493    H    LYS  68           H        LYS  68 -10.454   7.905   6.852
  494    HA   LYS  68           HA       LYS  68 -12.354   9.785   8.022
  495    HB2  LYS  68           HB2      LYS  68  -9.662   8.748   9.045
  496    HB3  LYS  68           HB3      LYS  68 -10.858   9.600  10.012
  497    HG2  LYS  68           HG2      LYS  68 -11.194   6.838   8.778
  498    HG3  LYS  68           HG3      LYS  68 -10.910   7.224  10.474
  499    HD2  LYS  68           HD2      LYS  68 -13.101   8.442  10.540
  500    HD3  LYS  68           HD3      LYS  68 -13.401   7.934   8.861
  501    HE2  LYS  68           HE2      LYS  68 -13.219   5.553   9.552
  502    HE3  LYS  68           HE3      LYS  68 -12.912   6.057  11.217
  503    HZ1  LYS  68           HZ1      LYS  68 -15.230   5.460  10.892
  504    HZ2  LYS  68           HZ2      LYS  68 -15.138   7.043  11.266
  505    HZ3  LYS  68           HZ3      LYS  68 -15.426   6.580   9.721
  506    H    ARG  69           H        ARG  69 -11.239  11.684   9.343
  507    HA   ARG  69           HA       ARG  69 -10.303  13.581   7.375
  508    HB2  ARG  69           HB2      ARG  69 -10.406  13.782  10.421
  509    HB3  ARG  69           HB3      ARG  69 -10.147  15.122   9.320
  510    HG2  ARG  69           HG2      ARG  69 -12.685  13.464   9.598
  511    HG3  ARG  69           HG3      ARG  69 -12.439  15.127  10.120
  512    HD2  ARG  69           HD2      ARG  69 -12.461  14.152   7.236
  513    HD3  ARG  69           HD3      ARG  69 -13.770  15.004   8.065
  514    HE   ARG  69           HE       ARG  69 -11.509  16.635   8.320
  515   HH11  ARG  69          HH21      ARG  69 -13.590  15.457   5.688
  516   HH12  ARG  69          HH22      ARG  69 -13.303  16.815   4.662
  517   HH21  ARG  69          HH11      ARG  69 -11.108  18.438   6.947
  518   HH22  ARG  69          HH12      ARG  69 -11.866  18.550   5.401
  519    H    LYS  70           H        LYS  70  -8.557  11.267   9.255
  520    HA   LYS  70           HA       LYS  70  -6.054  12.605   9.502
  521    HB2  LYS  70           HB2      LYS  70  -6.652  10.498  10.633
  522    HB3  LYS  70           HB3      LYS  70  -6.680   9.634   9.098
  523    HG2  LYS  70           HG2      LYS  70  -4.158  11.120   9.833
  524    HG3  LYS  70           HG3      LYS  70  -4.559   9.713  10.805
  525    HD2  LYS  70           HD2      LYS  70  -4.338   9.579   7.763
  526    HD3  LYS  70           HD3      LYS  70  -2.985   9.303   8.872
  527    HE2  LYS  70           HE2      LYS  70  -4.351   7.523  10.031
  528    HE3  LYS  70           HE3      LYS  70  -5.585   7.696   8.775
  529    HZ1  LYS  70           HZ1      LYS  70  -3.894   7.006   7.143
  530    HZ2  LYS  70           HZ2      LYS  70  -2.765   6.860   8.321
  531    HZ3  LYS  70           HZ3      LYS  70  -4.060   5.873   8.306
  532    H    GLU  71           H        GLU  71  -4.137  12.345   8.134
  533    HA   GLU  71           HA       GLU  71  -4.828  12.975   5.447
  534    HB2  GLU  71           HB2      GLU  71  -2.156  12.924   6.878
  535    HB3  GLU  71           HB3      GLU  71  -2.408  13.547   5.236
  536    HG2  GLU  71           HG2      GLU  71  -4.033  15.204   6.092
  537    HG3  GLU  71           HG3      GLU  71  -3.756  14.639   7.741
  538    H    GLY  72           H        GLY  72  -5.682  10.538   5.398
  539    HA2  GLY  72           HA2      GLY  72  -3.686   8.710   4.183
  540    HA3  GLY  72           HA3      GLY  72  -5.358   8.335   4.632
  541    H    ILE  73           H        ILE  73  -3.837  10.919   2.618
  542    HA   ILE  73           HA       ILE  73  -6.094  10.990   0.806
  543    HB   ILE  73           HB       ILE  73  -3.360  12.322   0.790
  544   HG12  ILE  73          HG12      ILE  73  -4.645  14.410   1.079
  545   HG13  ILE  73          HG13      ILE  73  -6.163  13.517   1.090
  546   HG21  ILE  73          HG21      ILE  73  -4.123  13.709  -1.064
  547   HG22  ILE  73          HG22      ILE  73  -4.073  12.022  -1.575
  548   HG23  ILE  73          HG23      ILE  73  -5.631  12.781  -1.185
  549   HD11  ILE  73          HD11      ILE  73  -5.653  12.573   3.244
  550   HD12  ILE  73          HD12      ILE  73  -3.976  13.201   3.161
  551   HD13  ILE  73          HD13      ILE  73  -5.359  14.310   3.310
  552    H    ILE  74           H        ILE  74  -6.351   9.778  -1.066
  553    HA   ILE  74           HA       ILE  74  -4.332   7.704  -1.685
  554    HB   ILE  74           HB       ILE  74  -7.166   8.177  -2.691
  555   HG12  ILE  74          HG12      ILE  74  -7.136   7.524  -0.339
  556   HG13  ILE  74          HG13      ILE  74  -7.824   6.270  -1.350
  557   HG21  ILE  74          HG21      ILE  74  -6.986   5.871  -3.638
  558   HG22  ILE  74          HG22      ILE  74  -5.942   7.045  -4.437
  559   HG23  ILE  74          HG23      ILE  74  -5.246   5.886  -3.284
  560   HD11  ILE  74          HD11      ILE  74  -5.024   6.250  -0.134
  561   HD12  ILE  74          HD12      ILE  74  -6.428   5.312   0.404
  562   HD13  ILE  74          HD13      ILE  74  -5.701   4.970  -1.176
  563    H    HIS  75           H        HIS  75  -2.922   8.043  -3.419
  564    HA   HIS  75           HA       HIS  75  -3.474  10.399  -5.178
  565    HB2  HIS  75           HB2      HIS  75  -0.864   9.090  -4.361
  566    HB3  HIS  75           HB3      HIS  75  -1.012  10.256  -5.670
  567    HD1  HIS  75           HD1      HIS  75  -1.485  10.152  -1.802
  568    HD2  HIS  75           HD2      HIS  75  -1.185  12.809  -5.058
  569    HE1  HIS  75           HE1      HIS  75  -1.214  12.491  -0.818
  570    H    THR  76           H        THR  76  -4.060   9.926  -7.216
  571    HA   THR  76           HA       THR  76  -3.035   7.449  -8.475
  572    HB   THR  76           HB       THR  76  -5.844   8.478  -9.019
  573    HG1  THR  76           HG1      THR  76  -6.638   7.020  -7.486
  574   HG21  THR  76          HG21      THR  76  -4.361   5.858  -9.446
  575   HG22  THR  76          HG22      THR  76  -6.110   6.040  -9.638
  576   HG23  THR  76          HG23      THR  76  -5.001   6.989 -10.661
  577    H    LEU  77           H        LEU  77  -2.518   7.732 -10.726
  578    HA   LEU  77           HA       LEU  77  -2.648  10.531 -11.706
  579    HB2  LEU  77           HB2      LEU  77  -0.455   9.524 -11.858
  580    HB3  LEU  77           HB3      LEU  77  -1.121   8.073 -12.615
  581    HG   LEU  77           HG       LEU  77  -1.802   9.476 -14.578
  582   HD11  LEU  77          HD11      LEU  77  -0.231  11.612 -13.082
  583   HD12  LEU  77          HD12      LEU  77  -0.638  11.707 -14.807
  584   HD13  LEU  77          HD13      LEU  77  -1.934  11.703 -13.606
  585   HD21  LEU  77          HD21      LEU  77   1.155   9.526 -13.858
  586   HD22  LEU  77          HD22      LEU  77   0.275   8.166 -14.598
  587   HD23  LEU  77          HD23      LEU  77   0.477   9.678 -15.498
  588    H    ILE  78           H        ILE  78  -4.204  11.042 -13.155
  589    HA   ILE  78           HA       ILE  78  -5.590   8.885 -14.597
  590    HB   ILE  78           HB       ILE  78  -6.507  11.522 -13.455
  591   HG12  ILE  78          HG12      ILE  78  -8.587  10.250 -12.985
  592   HG13  ILE  78          HG13      ILE  78  -7.884   8.811 -13.730
  593   HG21  ILE  78          HG21      ILE  78  -7.590  10.302 -16.006
  594   HG22  ILE  78          HG22      ILE  78  -8.545  11.365 -14.958
  595   HG23  ILE  78          HG23      ILE  78  -7.054  11.993 -15.661
  596   HD11  ILE  78          HD11      ILE  78  -6.270   8.625 -11.967
  597   HD12  ILE  78          HD12      ILE  78  -6.671  10.258 -11.354
  598   HD13  ILE  78          HD13      ILE  78  -7.841   8.915 -11.208
  599    H    VAL  79           H        VAL  79  -5.549   9.143 -16.910
  600    HA   VAL  79           HA       VAL  79  -4.334  11.553 -18.031
  601    HB   VAL  79           HB       VAL  79  -3.404   8.749 -18.713
  602   HG11  VAL  79          HG11      VAL  79  -3.377  10.246 -20.688
  603   HG12  VAL  79          HG12      VAL  79  -2.449  11.450 -19.769
  604   HG13  VAL  79          HG13      VAL  79  -1.738   9.870 -20.166
  605   HG21  VAL  79          HG21      VAL  79  -2.473   9.380 -16.604
  606   HG22  VAL  79          HG22      VAL  79  -1.189   9.577 -17.786
  607   HG23  VAL  79          HG23      VAL  79  -2.038  10.999 -17.191
  608    H    ASP  80           H        ASP  80  -5.433  12.204 -19.804
  609    HA   ASP  80           HA       ASP  80  -7.313  12.420 -21.031
  610    HB2  ASP  80           HB2      ASP  80  -5.793  11.217 -22.536
  611    HB3  ASP  80           HB3      ASP  80  -6.496   9.678 -22.023
  612    H    ASN  81           H        ASN  81  -7.933  11.784 -18.518
  613    HA   ASN  81           HA       ASN  81  -9.558  11.278 -17.126
  614    HB2  ASN  81           HB2      ASN  81 -10.954  12.283 -18.970
  615    HB3  ASN  81           HB3      ASN  81 -11.373  10.633 -19.445
  616   HD21  ASN  81          HD22      ASN  81 -13.586  10.590 -18.829
  617   HD22  ASN  81          HD21      ASN  81 -14.137  10.900 -17.200
  618    H    ARG  82           H        ARG  82  -7.968   8.816 -18.609
  619    HA   ARG  82           HA       ARG  82  -9.513   6.678 -17.312
  620    HB2  ARG  82           HB2      ARG  82  -7.367   6.852 -19.481
  621    HB3  ARG  82           HB3      ARG  82  -7.563   5.380 -18.533
  622    HG2  ARG  82           HG2      ARG  82  -8.911   5.014 -20.352
  623    HG3  ARG  82           HG3      ARG  82  -9.991   5.455 -19.027
  624    HD2  ARG  82           HD2      ARG  82 -10.936   6.399 -20.956
  625    HD3  ARG  82           HD3      ARG  82 -10.271   7.714 -20.019
  626    HE   ARG  82           HE       ARG  82  -8.924   8.256 -21.748
  627   HH11  ARG  82          HH12      ARG  82  -9.929   4.864 -22.306
  628   HH12  ARG  82          HH11      ARG  82  -9.301   4.807 -23.912
  629   HH21  ARG  82          HH21      ARG  82  -8.238   8.197 -23.924
  630   HH22  ARG  82          HH22      ARG  82  -8.283   6.724 -24.839
  631    H    GLU  83           H        GLU  83  -8.487   5.311 -15.785
  632    HA   GLU  83           HA       GLU  83  -6.715   6.857 -14.076
  633    HB2  GLU  83           HB2      GLU  83  -8.800   6.036 -13.214
  634    HB3  GLU  83           HB3      GLU  83  -8.378   4.359 -13.641
  635    HG2  GLU  83           HG2      GLU  83  -6.470   4.480 -12.034
  636    HG3  GLU  83           HG3      GLU  83  -6.937   6.147 -11.675
  637    H    ILE  84           H        ILE  84  -4.673   6.295 -13.476
  638    HA   ILE  84           HA       ILE  84  -3.380   3.961 -14.765
  639    HB   ILE  84           HB       ILE  84  -2.158   6.656 -14.079
  640   HG12  ILE  84          HG12      ILE  84  -3.711   7.126 -15.839
  641   HG13  ILE  84          HG13      ILE  84  -2.062   7.173 -16.441
  642   HG21  ILE  84          HG21      ILE  84  -0.536   4.853 -14.085
  643   HG22  ILE  84          HG22      ILE  84  -1.059   4.336 -15.698
  644   HG23  ILE  84          HG23      ILE  84  -0.284   5.925 -15.465
  645   HD11  ILE  84          HD11      ILE  84  -3.641   6.133 -18.028
  646   HD12  ILE  84          HD12      ILE  84  -2.333   5.022 -17.562
  647   HD13  ILE  84          HD13      ILE  84  -3.957   4.830 -16.871
  648    HA   PRO  85           HA       PRO  85  -2.860   3.224 -10.281
  649    HB2  PRO  85           HB2      PRO  85  -2.016   0.626 -10.366
  650    HB3  PRO  85           HB3      PRO  85  -3.722   1.107 -10.644
  651    HG2  PRO  85           HG2      PRO  85  -1.581   0.527 -12.719
  652    HG3  PRO  85           HG3      PRO  85  -3.263  -0.089 -12.662
  653    HD2  PRO  85           HD2      PRO  85  -2.545   2.071 -14.183
  654    HD3  PRO  85           HD3      PRO  85  -4.148   1.978 -13.388
  655    H    GLU  86           H        GLU  86  -1.050   3.210  -8.872
  656    HA   GLU  86           HA       GLU  86   1.477   4.131  -9.874
  657    HB2  GLU  86           HB2      GLU  86   2.128   4.382  -7.734
  658    HB3  GLU  86           HB3      GLU  86   0.387   4.669  -7.701
  659    HG2  GLU  86           HG2      GLU  86   0.105   2.291  -6.856
  660    HG3  GLU  86           HG3      GLU  86   1.880   2.177  -6.821
  661    H    ILE  87           H        ILE  87   3.550   3.008  -9.271
  662    HA   ILE  87           HA       ILE  87   3.636   0.536 -10.716
  663    HB   ILE  87           HB       ILE  87   6.084   0.626 -10.132
  664   HG12  ILE  87          HG12      ILE  87   5.555   3.332  -8.961
  665   HG13  ILE  87          HG13      ILE  87   5.731   1.898  -7.953
  666   HG21  ILE  87          HG21      ILE  87   5.119   1.576 -12.194
  667   HG22  ILE  87          HG22      ILE  87   4.915   3.141 -11.379
  668   HG23  ILE  87          HG23      ILE  87   6.539   2.471 -11.664
  669   HD11  ILE  87          HD11      ILE  87   7.877   2.931  -9.846
  670   HD12  ILE  87          HD12      ILE  87   7.867   3.034  -8.078
  671   HD13  ILE  87          HD13      ILE  87   7.977   1.452  -8.865
  672    H    ALA  88           H        ALA  88   4.476  -1.480 -10.066
  673    HA   ALA  88           HA       ALA  88   4.187  -2.155  -7.198
  674    HB1  ALA  88           HB1      ALA  88   2.133  -2.772  -8.461
  675    HB2  ALA  88           HB2      ALA  88   3.141  -3.752  -9.561
  676    HB3  ALA  88           HB3      ALA  88   2.994  -4.201  -7.846
  677    H    SER  89           H        SER  89   6.476  -1.568  -8.847
  678    HA   SER  89           HA       SER  89   7.983  -3.864  -9.582
  679    HB2  SER  89           HB2      SER  89   9.081  -1.205  -8.588
  680    HB3  SER  89           HB3      SER  89   9.867  -2.368  -9.664
  681    HG   SER  89           HG       SER  89   8.972  -0.682 -10.919
  Start of MODEL   16
    1    H1   GLU   1           H1       GLU   1  18.166  10.420   8.963
    2    H2   GLU   1           H2       GLU   1  19.399   9.821   9.872
    3    H3   GLU   1           H3       GLU   1  19.221   9.362   8.308
    4    HA   GLU   1           HA       GLU   1  18.494   7.608   9.757
    5    HB2  GLU   1           HB2      GLU   1  17.830   9.229  11.593
    6    HB3  GLU   1           HB3      GLU   1  16.344   9.561  10.704
    7    HG2  GLU   1           HG2      GLU   1  15.698   7.173  10.912
    8    HG3  GLU   1           HG3      GLU   1  17.231   6.816  11.710
    9    H    ASP   2           H        ASP   2  16.774   6.165   9.017
   10    HA   ASP   2           HA       ASP   2  16.034   6.641   6.294
   11    HB2  ASP   2           HB2      ASP   2  16.507   4.407   7.154
   12    HB3  ASP   2           HB3      ASP   2  15.146   4.522   8.279
   13    H    ARG   3           H        ARG   3  14.071   7.149   5.349
   14    HA   ARG   3           HA       ARG   3  11.667   7.449   6.984
   15    HB2  ARG   3           HB2      ARG   3  12.881   9.732   5.375
   16    HB3  ARG   3           HB3      ARG   3  11.174   9.681   5.790
   17    HG2  ARG   3           HG2      ARG   3  13.419   9.620   7.830
   18    HG3  ARG   3           HG3      ARG   3  12.548  11.076   7.325
   19    HD2  ARG   3           HD2      ARG   3  10.426  10.078   8.139
   20    HD3  ARG   3           HD3      ARG   3  11.293   8.652   8.704
   21    HE   ARG   3           HE       ARG   3  11.196  11.300   9.911
   22   HH11  ARG   3          HH11      ARG   3  13.103   8.252   9.827
   23   HH12  ARG   3          HH12      ARG   3  13.655   8.469  11.476
   24   HH21  ARG   3          HH21      ARG   3  12.054  11.520  12.058
   25   HH22  ARG   3          HH22      ARG   3  13.115  10.302  12.690
   26    H    SER   4           H        SER   4   9.735   7.394   5.644
   27    HA   SER   4           HA       SER   4   9.864   5.782   3.304
   28    HB2  SER   4           HB2      SER   4   7.619   7.649   4.173
   29    HB3  SER   4           HB3      SER   4   7.485   6.196   3.167
   30    HG   SER   4           HG       SER   4   6.886   5.795   5.367
   31    H    LYS   5           H        LYS   5   9.298   6.386   1.089
   32    HA   LYS   5           HA       LYS   5  10.333   9.007   0.252
   33    HB2  LYS   5           HB2      LYS   5   8.947   6.829  -1.375
   34    HB3  LYS   5           HB3      LYS   5   9.731   8.249  -2.029
   35    HG2  LYS   5           HG2      LYS   5  11.063   5.940  -0.555
   36    HG3  LYS   5           HG3      LYS   5  11.141   6.267  -2.278
   37    HD2  LYS   5           HD2      LYS   5  12.369   7.994  -0.083
   38    HD3  LYS   5           HD3      LYS   5  13.222   6.858  -1.125
   39    HE2  LYS   5           HE2      LYS   5  12.524   8.177  -3.138
   40    HE3  LYS   5           HE3      LYS   5  11.745   9.360  -2.078
   41    HZ1  LYS   5           HZ1      LYS   5  13.937   9.819  -1.099
   42    HZ2  LYS   5           HZ2      LYS   5  14.650   8.723  -2.088
   43    HZ3  LYS   5           HZ3      LYS   5  13.974  10.066  -2.714
   44    H    THR   6           H        THR   6   9.086  10.793   0.415
   45    HA   THR   6           HA       THR   6   6.234  10.654   0.863
   46    HB   THR   6           HB       THR   6   8.081  13.001   0.278
   47    HG1  THR   6           HG1      THR   6   8.337  13.109   2.487
   48   HG21  THR   6          HG21      THR   6   5.750  13.672   0.040
   49   HG22  THR   6          HG22      THR   6   5.321  12.898   1.583
   50   HG23  THR   6          HG23      THR   6   6.385  14.323   1.559
   51    H    THR   7           H        THR   7   8.286  11.462  -1.950
   52    HA   THR   7           HA       THR   7   6.114  12.399  -3.568
   53    HB   THR   7           HB       THR   7   7.947  12.183  -5.374
   54    HG1  THR   7           HG1      THR   7  10.029  11.770  -4.587
   55   HG21  THR   7          HG21      THR   7   8.838  13.808  -2.951
   56   HG22  THR   7          HG22      THR   7   8.965  14.221  -4.682
   57   HG23  THR   7          HG23      THR   7   7.399  14.234  -3.876
   58    H    ASN   8           H        ASN   8   5.405  11.473  -5.557
   59    HA   ASN   8           HA       ASN   8   5.516   8.475  -5.784
   60    HB2  ASN   8           HB2      ASN   8   3.110  10.304  -6.157
   61    HB3  ASN   8           HB3      ASN   8   3.254   8.749  -6.963
   62   HD21  ASN   8          HD22      ASN   8   3.675   6.760  -5.464
   63   HD22  ASN   8          HD21      ASN   8   2.864   6.803  -3.924
   64    H    THR   9           H        THR   9   6.100   7.792  -7.745
   65    HA   THR   9           HA       THR   9   6.595   9.849  -9.811
   66    HB   THR   9           HB       THR   9   8.282   7.467  -8.993
   67    HG1  THR   9           HG1      THR   9   9.688   8.927  -8.208
   68   HG21  THR   9          HG21      THR   9   8.426   7.738 -11.446
   69   HG22  THR   9          HG22      THR   9   8.836   9.431 -11.253
   70   HG23  THR   9          HG23      THR   9   9.942   8.178 -10.650
   71    H    TRP  10           H        TRP  10   6.283   9.117 -11.976
   72    HA   TRP  10           HA       TRP  10   5.035   6.473 -12.444
   73    HB2  TRP  10           HB2      TRP  10   3.830   9.162 -13.258
   74    HB3  TRP  10           HB3      TRP  10   3.284   7.594 -13.827
   75    HD1  TRP  10           HD1      TRP  10   1.952   6.087 -12.164
   76    HE1  TRP  10           HE1      TRP  10   0.628   6.533 -10.021
   77    HE3  TRP  10           HE3      TRP  10   3.779  10.695 -11.147
   78    HZ2  TRP  10           HZ2      TRP  10   0.302   8.771  -8.147
   79    HZ3  TRP  10           HZ3      TRP  10   2.876  12.039  -9.279
   80    HH2  TRP  10           HH2      TRP  10   1.126  11.096  -7.772
   81    H    VAL  11           H        VAL  11   5.284   5.816 -14.579
   82    HA   VAL  11           HA       VAL  11   7.093   7.399 -16.267
   83    HB   VAL  11           HB       VAL  11   6.540   4.503 -16.332
   84   HG11  VAL  11          HG11      VAL  11   8.635   6.189 -17.804
   85   HG12  VAL  11          HG12      VAL  11   8.542   4.410 -17.854
   86   HG13  VAL  11          HG13      VAL  11   7.237   5.374 -18.549
   87   HG21  VAL  11          HG21      VAL  11   8.901   5.971 -15.122
   88   HG22  VAL  11          HG22      VAL  11   7.723   4.913 -14.300
   89   HG23  VAL  11          HG23      VAL  11   8.867   4.215 -15.444
   90    H    LEU  12           H        LEU  12   6.233   8.126 -18.220
   91    HA   LEU  12           HA       LEU  12   3.695   6.865 -19.191
   92    HB2  LEU  12           HB2      LEU  12   4.644   9.741 -19.553
   93    HB3  LEU  12           HB3      LEU  12   3.226   9.007 -20.315
   94    HG   LEU  12           HG       LEU  12   3.597   9.525 -17.343
   95   HD11  LEU  12          HD11      LEU  12   3.210  11.516 -18.822
   96   HD12  LEU  12          HD12      LEU  12   1.710  10.773 -19.395
   97   HD13  LEU  12          HD13      LEU  12   1.883  11.228 -17.683
   98   HD21  LEU  12          HD21      LEU  12   1.221   8.350 -18.867
   99   HD22  LEU  12          HD22      LEU  12   2.257   7.469 -17.738
  100   HD23  LEU  12          HD23      LEU  12   1.263   8.786 -17.134
  101    H    HIS  13           H        HIS  13   4.147   5.660 -20.901
  102    HA   HIS  13           HA       HIS  13   6.438   6.357 -22.598
  103    HB2  HIS  13           HB2      HIS  13   6.068   3.967 -21.973
  104    HB3  HIS  13           HB3      HIS  13   4.500   4.010 -22.772
  105    HD1  HIS  13           HD1      HIS  13   7.605   5.571 -24.494
  106    HD2  HIS  13           HD2      HIS  13   5.186   2.117 -24.516
  107    HE1  HIS  13           HE1      HIS  13   8.322   4.200 -26.515
  108    H    MET  14           H        MET  14   6.062   7.704 -24.357
  109    HA   MET  14           HA       MET  14   3.424   7.932 -25.570
  110    HB2  MET  14           HB2      MET  14   3.175   9.301 -23.556
  111    HB3  MET  14           HB3      MET  14   4.707  10.119 -23.879
  112    HG2  MET  14           HG2      MET  14   3.657  11.015 -26.017
  113    HG3  MET  14           HG3      MET  14   2.124  10.341 -25.463
  114    HE1  MET  14           HE1      MET  14   1.361  12.506 -22.262
  115    HE2  MET  14           HE2      MET  14   0.920  11.079 -23.228
  116    HE3  MET  14           HE3      MET  14   2.349  11.036 -22.169
  117    H    ASP  15           H        ASP  15   3.710   8.466 -27.684
  118    HA   ASP  15           HA       ASP  15   4.748   8.779 -29.644
  119    HB2  ASP  15           HB2      ASP  15   4.245  11.059 -28.860
  120    HB3  ASP  15           HB3      ASP  15   5.897  11.211 -28.256
  121    H    GLY  16           H        GLY  16   6.102   6.880 -28.111
  122    HA2  GLY  16           HA2      GLY  16   7.942   5.558 -28.391
  123    HA3  GLY  16           HA3      GLY  16   8.579   6.714 -29.570
  124    H    GLU  17           H        GLU  17   7.910   8.357 -26.655
  125    HA   GLU  17           HA       GLU  17  10.653   8.068 -25.644
  126    HB2  GLU  17           HB2      GLU  17   8.774  10.455 -25.742
  127    HB3  GLU  17           HB3      GLU  17  10.118  10.376 -24.601
  128    HG2  GLU  17           HG2      GLU  17  11.702   9.997 -26.467
  129    HG3  GLU  17           HG3      GLU  17  10.383  10.179 -27.626
  130    H    ASN  18           H        ASN  18  10.668   8.683 -23.203
  131    HA   ASN  18           HA       ASN  18   8.418   7.421 -21.779
  132    HB2  ASN  18           HB2      ASN  18  11.362   6.748 -21.392
  133    HB3  ASN  18           HB3      ASN  18  10.053   6.233 -20.331
  134   HD21  ASN  18          HD22      ASN  18   8.365   4.728 -21.254
  135   HD22  ASN  18          HD21      ASN  18   8.778   3.761 -22.653
  136    H    PHE  19           H        PHE  19   7.677   9.033 -20.533
  137    HA   PHE  19           HA       PHE  19   9.597  11.113 -19.561
  138    HB2  PHE  19           HB2      PHE  19   6.556  11.207 -19.740
  139    HB3  PHE  19           HB3      PHE  19   7.613  12.514 -19.244
  140    HD1  PHE  19           HD2      PHE  19   9.561  13.122 -21.022
  141    HD2  PHE  19           HD1      PHE  19   5.821  11.189 -21.982
  142    HE1  PHE  19           HE2      PHE  19   9.802  13.825 -23.386
  143    HE2  PHE  19           HE1      PHE  19   6.076  11.911 -24.349
  144    HZ   PHE  19           HZ       PHE  19   8.063  13.217 -25.051
  145    H    ARG  20           H        ARG  20  10.066  11.218 -17.383
  146    HA   ARG  20           HA       ARG  20   8.492   9.556 -15.514
  147    HB2  ARG  20           HB2      ARG  20  11.239  10.788 -15.330
  148    HB3  ARG  20           HB3      ARG  20  10.298  10.345 -13.897
  149    HG2  ARG  20           HG2      ARG  20   9.896   8.091 -15.358
  150    HG3  ARG  20           HG3      ARG  20  11.495   8.559 -15.998
  151    HD2  ARG  20           HD2      ARG  20  12.273   8.746 -13.596
  152    HD3  ARG  20           HD3      ARG  20  10.630   8.217 -13.122
  153    HE   ARG  20           HE       ARG  20  11.790   6.309 -14.913
  154   HH11  ARG  20          HH21      ARG  20  12.309   7.455 -11.567
  155   HH12  ARG  20          HH22      ARG  20  12.682   5.869 -10.955
  156   HH21  ARG  20          HH11      ARG  20  12.429   4.227 -14.056
  157   HH22  ARG  20          HH12      ARG  20  12.782   4.073 -12.355
  158    H    ILE  21           H        ILE  21   6.957  10.417 -14.416
  159    HA   ILE  21           HA       ILE  21   6.820  13.329 -13.996
  160    HB   ILE  21           HB       ILE  21   4.766  11.103 -13.767
  161   HG12  ILE  21          HG12      ILE  21   3.526  12.110 -15.466
  162   HG13  ILE  21          HG13      ILE  21   4.436  13.627 -15.393
  163   HG21  ILE  21          HG21      ILE  21   4.345  14.035 -13.065
  164   HG22  ILE  21          HG22      ILE  21   3.080  12.783 -13.103
  165   HG23  ILE  21          HG23      ILE  21   4.343  12.722 -11.877
  166   HD11  ILE  21          HD11      ILE  21   4.828  12.324 -17.456
  167   HD12  ILE  21          HD12      ILE  21   6.288  12.670 -16.542
  168   HD13  ILE  21          HD13      ILE  21   5.551  11.032 -16.487
  169    H    VAL  22           H        VAL  22   7.034  14.051 -11.837
  170    HA   VAL  22           HA       VAL  22   6.818  12.066  -9.700
  171    HB   VAL  22           HB       VAL  22   8.978  14.202  -9.776
  172   HG11  VAL  22          HG11      VAL  22   8.466  11.891  -7.837
  173   HG12  VAL  22          HG12      VAL  22   9.833  13.024  -7.752
  174   HG13  VAL  22          HG13      VAL  22   8.188  13.615  -7.485
  175   HG21  VAL  22          HG21      VAL  22   9.305  11.210 -10.138
  176   HG22  VAL  22          HG22      VAL  22   9.584  12.457 -11.383
  177   HG23  VAL  22          HG23      VAL  22  10.624  12.373  -9.954
  178    H    LEU  23           H        LEU  23   5.302  12.764  -8.301
  179    HA   LEU  23           HA       LEU  23   4.396  15.623  -8.356
  180    HB2  LEU  23           HB2      LEU  23   2.598  14.099  -8.353
  181    HB3  LEU  23           HB3      LEU  23   3.383  13.015  -7.209
  182    HG   LEU  23           HG       LEU  23   3.072  14.707  -5.374
  183   HD11  LEU  23          HD11      LEU  23   1.218  16.114  -7.332
  184   HD12  LEU  23          HD12      LEU  23   1.399  16.447  -5.597
  185   HD13  LEU  23          HD13      LEU  23   2.743  16.781  -6.680
  186   HD21  LEU  23          HD21      LEU  23   1.643  12.795  -5.526
  187   HD22  LEU  23          HD22      LEU  23   0.690  14.208  -5.048
  188   HD23  LEU  23          HD23      LEU  23   0.616  13.603  -6.720
  189    H    GLU  24           H        GLU  24   5.242  17.019  -6.808
  190    HA   GLU  24           HA       GLU  24   6.480  15.951  -4.365
  191    HB2  GLU  24           HB2      GLU  24   7.061  18.168  -6.146
  192    HB3  GLU  24           HB3      GLU  24   6.715  18.796  -4.531
  193    HG2  GLU  24           HG2      GLU  24   8.610  16.529  -5.158
  194    HG3  GLU  24           HG3      GLU  24   9.097  18.221  -5.024
  195    H    LYS  25           H        LYS  25   5.152  15.715  -2.689
  196    HA   LYS  25           HA       LYS  25   2.424  16.690  -2.885
  197    HB2  LYS  25           HB2      LYS  25   3.897  15.185  -0.685
  198    HB3  LYS  25           HB3      LYS  25   2.170  15.570  -0.645
  199    HG2  LYS  25           HG2      LYS  25   1.788  14.320  -2.732
  200    HG3  LYS  25           HG3      LYS  25   3.519  13.918  -2.824
  201    HD2  LYS  25           HD2      LYS  25   3.359  12.763  -0.628
  202    HD3  LYS  25           HD3      LYS  25   1.615  13.108  -0.580
  203    HE2  LYS  25           HE2      LYS  25   1.161  11.721  -2.480
  204    HE3  LYS  25           HE3      LYS  25   2.854  11.711  -2.978
  205    HZ1  LYS  25           HZ1      LYS  25   1.834  10.308  -0.567
  206    HZ2  LYS  25           HZ2      LYS  25   2.282   9.621  -2.008
  207    HZ3  LYS  25           HZ3      LYS  25   3.407  10.364  -1.082
  208    H    ASP  26           H        ASP  26   5.307  17.927  -1.303
  209    HA   ASP  26           HA       ASP  26   4.119  19.298   0.845
  210    HB2  ASP  26           HB2      ASP  26   6.543  19.009   0.608
  211    HB3  ASP  26           HB3      ASP  26   6.551  20.052  -0.819
  212    H    ALA  27           H        ALA  27   4.509  20.272  -2.554
  213    HA   ALA  27           HA       ALA  27   2.850  22.657  -2.080
  214    HB1  ALA  27           HB1      ALA  27   5.161  23.188  -2.738
  215    HB2  ALA  27           HB2      ALA  27   4.990  22.163  -4.187
  216    HB3  ALA  27           HB3      ALA  27   4.027  23.644  -4.023
  217    H    MET  28           H        MET  28   2.698  19.554  -3.433
  218    HA   MET  28           HA       MET  28   1.593  18.530  -5.016
  219    HB2  MET  28           HB2      MET  28  -0.503  20.716  -4.799
  220    HB3  MET  28           HB3      MET  28  -0.678  19.176  -5.647
  221    HG2  MET  28           HG2      MET  28  -0.096  18.024  -3.428
  222    HG3  MET  28           HG3      MET  28  -0.283  19.605  -2.669
  223    HE1  MET  28           HE1      MET  28  -2.317  17.532  -5.469
  224    HE2  MET  28           HE2      MET  28  -1.957  16.437  -4.114
  225    HE3  MET  28           HE3      MET  28  -3.634  16.934  -4.436
  226    H    ASP  29           H        ASP  29   3.749  19.887  -5.753
  227    HA   ASP  29           HA       ASP  29   3.181  21.217  -8.333
  228    HB2  ASP  29           HB2      ASP  29   4.784  22.340  -6.706
  229    HB3  ASP  29           HB3      ASP  29   5.855  20.940  -6.910
  230    H    VAL  30           H        VAL  30   4.224  20.232 -10.253
  231    HA   VAL  30           HA       VAL  30   4.899  17.360  -9.808
  232    HB   VAL  30           HB       VAL  30   2.897  18.338 -11.840
  233   HG11  VAL  30          HG11      VAL  30   3.787  15.526 -11.098
  234   HG12  VAL  30          HG12      VAL  30   2.503  15.946 -12.259
  235   HG13  VAL  30          HG13      VAL  30   4.174  16.380 -12.610
  236   HG21  VAL  30          HG21      VAL  30   1.907  18.418  -9.580
  237   HG22  VAL  30          HG22      VAL  30   1.200  17.174 -10.594
  238   HG23  VAL  30          HG23      VAL  30   2.378  16.723  -9.335
  239    H    TRP  31           H        TRP  31   6.748  16.942 -10.580
  240    HA   TRP  31           HA       TRP  31   8.097  18.528 -12.609
  241    HB2  TRP  31           HB2      TRP  31   9.019  15.965 -11.285
  242    HB3  TRP  31           HB3      TRP  31  10.000  17.250 -11.953
  243    HD1  TRP  31           HD1      TRP  31   8.423  16.054  -8.752
  244    HE1  TRP  31           HE1      TRP  31   9.025  17.584  -6.817
  245    HE3  TRP  31           HE3      TRP  31  10.304  19.923 -11.391
  246    HZ2  TRP  31           HZ2      TRP  31  10.333  20.147  -6.425
  247    HZ3  TRP  31           HZ3      TRP  31  11.355  21.883 -10.229
  248    HH2  TRP  31           HH2      TRP  31  11.342  22.003  -7.746
  249    H    CYS  32           H        CYS  32   8.147  17.850 -14.797
  250    HA   CYS  32           HA       CYS  32   7.738  14.955 -15.363
  251    HB2  CYS  32           HB2      CYS  32   5.711  16.122 -16.081
  252    HB3  CYS  32           HB3      CYS  32   6.711  17.302 -16.989
  253    HG   CYS  32           HG       CYS  32   5.594  15.697 -18.703
  254    H    ASN  33           H        ASN  33   9.548  14.194 -16.275
  255    HA   ASN  33           HA       ASN  33  11.657  14.095 -17.113
  256    HB2  ASN  33           HB2      ASN  33  10.206  14.575 -19.144
  257    HB3  ASN  33           HB3      ASN  33  10.749  16.245 -19.060
  258   HD21  ASN  33          HD22      ASN  33  12.028  12.836 -19.274
  259   HD22  ASN  33          HD21      ASN  33  13.419  13.273 -20.226
  260    H    GLY  34           H        GLY  34  11.488  15.669 -14.813
  261    HA2  GLY  34           HA2      GLY  34  13.091  16.679 -13.540
  262    HA3  GLY  34           HA3      GLY  34  14.070  16.945 -14.983
  263    H    LYS  35           H        LYS  35  11.042  18.387 -15.610
  264    HA   LYS  35           HA       LYS  35  11.825  20.990 -14.333
  265    HB2  LYS  35           HB2      LYS  35  10.520  20.543 -17.061
  266    HB3  LYS  35           HB3      LYS  35  10.807  22.110 -16.309
  267    HG2  LYS  35           HG2      LYS  35  12.977  20.150 -17.198
  268    HG3  LYS  35           HG3      LYS  35  12.435  21.574 -18.086
  269    HD2  LYS  35           HD2      LYS  35  13.185  23.039 -16.219
  270    HD3  LYS  35           HD3      LYS  35  13.787  21.611 -15.351
  271    HE2  LYS  35           HE2      LYS  35  15.289  21.085 -17.269
  272    HE3  LYS  35           HE3      LYS  35  14.698  22.517 -18.121
  273    HZ1  LYS  35           HZ1      LYS  35  16.183  22.548 -15.550
  274    HZ2  LYS  35           HZ2      LYS  35  16.787  22.969 -17.005
  275    HZ3  LYS  35           HZ3      LYS  35  15.620  23.879 -16.324
  276    H    LYS  36           H        LYS  36   9.954  22.231 -13.509
  277    HA   LYS  36           HA       LYS  36   7.677  20.486 -13.014
  278    HB2  LYS  36           HB2      LYS  36   6.780  21.850 -11.529
  279    HB3  LYS  36           HB3      LYS  36   8.482  21.959 -11.180
  280    HG2  LYS  36           HG2      LYS  36   7.074  24.083 -12.863
  281    HG3  LYS  36           HG3      LYS  36   6.869  24.050 -11.134
  282    HD2  LYS  36           HD2      LYS  36   9.543  24.338 -12.554
  283    HD3  LYS  36           HD3      LYS  36   8.604  25.648 -11.863
  284    HE2  LYS  36           HE2      LYS  36   9.913  23.357 -10.331
  285    HE3  LYS  36           HE3      LYS  36  10.426  25.049 -10.360
  286    HZ1  LYS  36           HZ1      LYS  36   8.237  25.571  -9.293
  287    HZ2  LYS  36           HZ2      LYS  36   7.960  23.949  -9.112
  288    HZ3  LYS  36           HZ3      LYS  36   9.222  24.661  -8.363
  289    H    LEU  37           H        LEU  37   5.510  20.966 -13.573
  290    HA   LEU  37           HA       LEU  37   5.198  22.669 -15.963
  291    HB2  LEU  37           HB2      LEU  37   3.527  21.082 -16.860
  292    HB3  LEU  37           HB3      LEU  37   5.206  20.567 -16.880
  293    HG   LEU  37           HG       LEU  37   4.811  19.200 -14.873
  294   HD11  LEU  37          HD11      LEU  37   1.896  19.918 -15.314
  295   HD12  LEU  37          HD12      LEU  37   2.414  18.501 -14.375
  296   HD13  LEU  37          HD13      LEU  37   2.841  20.112 -13.822
  297   HD21  LEU  37          HD21      LEU  37   3.022  18.549 -17.246
  298   HD22  LEU  37          HD22      LEU  37   4.776  18.284 -17.158
  299   HD23  LEU  37          HD23      LEU  37   3.696  17.381 -16.083
  300    H    GLU  38           H        GLU  38   2.801  23.155 -16.321
  301    HA   GLU  38           HA       GLU  38   1.924  24.550 -13.967
  302    HB2  GLU  38           HB2      GLU  38   0.215  25.487 -15.427
  303    HB3  GLU  38           HB3      GLU  38   1.808  25.584 -16.171
  304    HG2  GLU  38           HG2      GLU  38   1.240  23.504 -17.514
  305    HG3  GLU  38           HG3      GLU  38  -0.387  23.572 -16.844
  306    H    THR  39           H        THR  39  -0.058  24.251 -12.853
  307    HA   THR  39           HA       THR  39  -1.570  21.735 -13.308
  308    HB   THR  39           HB       THR  39  -1.558  21.588 -10.732
  309    HG1  THR  39           HG1      THR  39   0.270  22.350  -9.723
  310   HG21  THR  39          HG21      THR  39  -0.633  19.885 -12.247
  311   HG22  THR  39          HG22      THR  39   0.905  20.768 -12.337
  312   HG23  THR  39          HG23      THR  39   0.370  20.056 -10.798
  313    H    ALA  40           H        ALA  40  -3.655  21.778 -12.609
  314    HA   ALA  40           HA       ALA  40  -4.790  24.251 -11.406
  315    HB1  ALA  40           HB1      ALA  40  -6.045  22.506 -13.583
  316    HB2  ALA  40           HB2      ALA  40  -6.867  23.807 -12.702
  317    HB3  ALA  40           HB3      ALA  40  -5.508  24.193 -13.778
  318    H    GLY  41           H        GLY  41  -6.553  23.638  -9.844
  319    HA2  GLY  41           HA2      GLY  41  -6.401  20.767  -9.008
  320    HA3  GLY  41           HA3      GLY  41  -6.188  22.101  -7.868
  321    H    GLU  42           H        GLU  42  -8.432  20.077  -9.414
  322    HA   GLU  42           HA       GLU  42 -10.694  21.792  -8.584
  323    HB2  GLU  42           HB2      GLU  42 -10.451  19.614 -10.664
  324    HB3  GLU  42           HB3      GLU  42 -11.991  19.834  -9.817
  325    HG2  GLU  42           HG2      GLU  42 -12.006  22.225 -10.375
  326    HG3  GLU  42           HG3      GLU  42 -10.490  22.046 -11.274
  327    H    PHE  43           H        PHE  43 -12.336  20.784  -7.284
  328    HA   PHE  43           HA       PHE  43 -11.346  18.466  -5.673
  329    HB2  PHE  43           HB2      PHE  43 -11.023  20.640  -4.475
  330    HB3  PHE  43           HB3      PHE  43 -12.755  20.927  -4.603
  331    HD1  PHE  43           HD1      PHE  43 -10.187  18.583  -3.201
  332    HD2  PHE  43           HD2      PHE  43 -14.274  19.959  -3.000
  333    HE1  PHE  43           HE1      PHE  43 -10.523  17.281  -1.119
  334    HE2  PHE  43           HE2      PHE  43 -14.604  18.651  -0.917
  335    HZ   PHE  43           HZ       PHE  43 -12.739  17.305   0.023
  336    H    VAL  44           H        VAL  44 -12.846  16.929  -5.221
  337    HA   VAL  44           HA       VAL  44 -15.675  17.420  -5.863
  338    HB   VAL  44           HB       VAL  44 -15.530  14.908  -6.590
  339   HG11  VAL  44          HG11      VAL  44 -14.537  17.126  -8.400
  340   HG12  VAL  44          HG12      VAL  44 -15.235  15.571  -8.923
  341   HG13  VAL  44          HG13      VAL  44 -16.230  16.719  -8.006
  342   HG21  VAL  44          HG21      VAL  44 -12.659  15.643  -7.258
  343   HG22  VAL  44          HG22      VAL  44 -13.190  14.509  -5.991
  344   HG23  VAL  44          HG23      VAL  44 -13.529  14.158  -7.689
  345    H    ASP  45           H        ASP  45 -17.040  15.654  -4.954
  346    HA   ASP  45           HA       ASP  45 -16.453  15.305  -2.138
  347    HB2  ASP  45           HB2      ASP  45 -18.689  15.966  -2.886
  348    HB3  ASP  45           HB3      ASP  45 -18.858  14.447  -3.769
  349    H    ASP  46           H        ASP  46 -14.525  14.105  -3.292
  350    HA   ASP  46           HA       ASP  46 -14.662  11.219  -2.865
  351    HB2  ASP  46           HB2      ASP  46 -15.533  11.303  -5.138
  352    HB3  ASP  46           HB3      ASP  46 -14.288  12.452  -5.625
  353    H    GLY  47           H        GLY  47 -12.866  14.180  -3.933
  354    HA2  GLY  47           HA2      GLY  47 -10.635  13.968  -2.373
  355    HA3  GLY  47           HA3      GLY  47 -10.293  12.938  -3.779
  356    H    THR  48           H        THR  48  -8.683  14.357  -4.539
  357    HA   THR  48           HA       THR  48  -9.667  16.930  -5.658
  358    HB   THR  48           HB       THR  48  -6.787  16.486  -4.968
  359    HG1  THR  48           HG1      THR  48  -7.855  16.145  -2.985
  360   HG21  THR  48          HG21      THR  48  -7.347  18.479  -6.295
  361   HG22  THR  48          HG22      THR  48  -8.498  19.003  -5.049
  362   HG23  THR  48          HG23      THR  48  -6.760  18.938  -4.692
  363    H    GLU  49           H        GLU  49  -8.888  17.408  -7.730
  364    HA   GLU  49           HA       GLU  49  -7.469  15.265  -9.186
  365    HB2  GLU  49           HB2      GLU  49  -9.819  16.922 -10.157
  366    HB3  GLU  49           HB3      GLU  49  -8.802  15.894 -11.186
  367    HG2  GLU  49           HG2      GLU  49  -9.461  13.901  -9.965
  368    HG3  GLU  49           HG3      GLU  49 -10.411  14.847  -8.820
  369    H    THR  50           H        THR  50  -5.465  16.117  -9.439
  370    HA   THR  50           HA       THR  50  -5.151  19.034  -9.931
  371    HB   THR  50           HB       THR  50  -3.173  16.830  -9.322
  372    HG1  THR  50           HG1      THR  50  -4.410  17.669  -7.556
  373   HG21  THR  50          HG21      THR  50  -1.977  18.308 -10.787
  374   HG22  THR  50          HG22      THR  50  -2.644  19.749  -9.992
  375   HG23  THR  50          HG23      THR  50  -1.480  18.685  -9.142
  376    H    HIS  51           H        HIS  51  -5.444  19.543 -12.074
  377    HA   HIS  51           HA       HIS  51  -5.086  17.448 -14.143
  378    HB2  HIS  51           HB2      HIS  51  -6.461  20.163 -14.195
  379    HB3  HIS  51           HB3      HIS  51  -6.281  19.115 -15.594
  380    HD1  HIS  51           HD1      HIS  51  -7.907  16.990 -15.757
  381    HD2  HIS  51           HD2      HIS  51  -8.304  19.392 -12.315
  382    HE1  HIS  51           HE1      HIS  51 -10.048  16.247 -14.598
  383    H    PHE  52           H        PHE  52  -3.746  17.704 -15.919
  384    HA   PHE  52           HA       PHE  52  -2.453  20.180 -16.601
  385    HB2  PHE  52           HB2      PHE  52  -0.116  19.296 -16.403
  386    HB3  PHE  52           HB3      PHE  52  -0.903  19.680 -14.903
  387    HD1  PHE  52           HD1      PHE  52  -1.693  17.951 -13.337
  388    HD2  PHE  52           HD2      PHE  52   0.725  17.002 -16.785
  389    HE1  PHE  52           HE1      PHE  52  -1.028  15.843 -12.275
  390    HE2  PHE  52           HE2      PHE  52   1.388  14.863 -15.698
  391    HZ   PHE  52           HZ       PHE  52   0.563  14.302 -13.434
  392    H    SER  53           H        SER  53  -0.548  19.165 -18.386
  393    HA   SER  53           HA       SER  53  -1.723  17.001 -19.934
  394    HB2  SER  53           HB2      SER  53  -1.733  18.503 -22.018
  395    HB3  SER  53           HB3      SER  53  -3.077  18.659 -20.883
  396    HG   SER  53           HG       SER  53  -2.288  20.716 -21.522
  397    H    ILE  54           H        ILE  54  -0.290  16.176 -21.513
  398    HA   ILE  54           HA       ILE  54   2.487  17.150 -21.564
  399    HB   ILE  54           HB       ILE  54   1.694  14.335 -20.660
  400   HG12  ILE  54          HG12      ILE  54   3.286  16.483 -19.177
  401   HG13  ILE  54          HG13      ILE  54   1.600  16.092 -18.855
  402   HG21  ILE  54          HG21      ILE  54   4.099  13.825 -20.591
  403   HG22  ILE  54          HG22      ILE  54   3.669  14.333 -22.208
  404   HG23  ILE  54          HG23      ILE  54   4.497  15.473 -21.132
  405   HD11  ILE  54          HD11      ILE  54   2.155  13.845 -18.149
  406   HD12  ILE  54          HD12      ILE  54   3.893  14.167 -18.425
  407   HD13  ILE  54          HD13      ILE  54   2.999  15.088 -17.203
  408    H    GLY  55           H        GLY  55   3.170  16.942 -23.698
  409    HA2  GLY  55           HA2      GLY  55   2.981  16.561 -25.964
  410    HA3  GLY  55           HA3      GLY  55   2.338  14.966 -25.557
  411    H    ASN  56           H        ASN  56   0.512  14.782 -26.807
  412    HA   ASN  56           HA       ASN  56  -1.479  16.971 -26.790
  413    HB2  ASN  56           HB2      ASN  56  -0.639  16.067 -28.990
  414    HB3  ASN  56           HB3      ASN  56  -1.398  14.523 -28.575
  415   HD21  ASN  56          HD22      ASN  56  -2.797  14.733 -30.482
  416   HD22  ASN  56          HD21      ASN  56  -4.136  15.855 -30.485
  417    H    HIS  57           H        HIS  57  -1.043  15.265 -24.411
  418    HA   HIS  57           HA       HIS  57  -3.692  13.895 -24.257
  419    HB2  HIS  57           HB2      HIS  57  -1.121  13.070 -22.861
  420    HB3  HIS  57           HB3      HIS  57  -2.682  12.281 -22.737
  421    HD1  HIS  57           HD1      HIS  57  -3.088  10.332 -24.485
  422    HD2  HIS  57           HD2      HIS  57   0.140  12.890 -25.350
  423    HE1  HIS  57           HE1      HIS  57  -1.818   9.266 -26.417
  424    H    ASP  58           H        ASP  58  -4.851  14.271 -22.339
  425    HA   ASP  58           HA       ASP  58  -3.729  16.325 -20.516
  426    HB2  ASP  58           HB2      ASP  58  -5.739  16.912 -19.799
  427    HB3  ASP  58           HB3      ASP  58  -6.131  16.531 -21.475
  428    H    CYS  59           H        CYS  59  -3.715  15.909 -18.258
  429    HA   CYS  59           HA       CYS  59  -3.718  13.069 -17.433
  430    HB2  CYS  59           HB2      CYS  59  -1.563  14.997 -16.548
  431    HB3  CYS  59           HB3      CYS  59  -1.590  13.239 -16.420
  432    HG   CYS  59           HG       CYS  59  -1.368  15.159 -19.063
  433    H    TYR  60           H        TYR  60  -4.179  12.860 -15.131
  434    HA   TYR  60           HA       TYR  60  -4.133  15.317 -13.651
  435    HB2  TYR  60           HB2      TYR  60  -6.355  15.262 -12.754
  436    HB3  TYR  60           HB3      TYR  60  -6.399  15.385 -14.498
  437    HD1  TYR  60           HD1      TYR  60  -6.722  12.847 -11.727
  438    HD2  TYR  60           HD2      TYR  60  -7.809  13.985 -15.739
  439    HE1  TYR  60           HE1      TYR  60  -8.367  11.004 -11.802
  440    HE2  TYR  60           HE2      TYR  60  -9.581  12.256 -15.757
  441    HH   TYR  60           HH       TYR  60 -10.617  10.509 -14.563
  442    H    ILE  61           H        ILE  61  -3.729  15.016 -11.464
  443    HA   ILE  61           HA       ILE  61  -3.176  12.200 -10.684
  444    HB   ILE  61           HB       ILE  61  -2.473  14.830  -9.392
  445   HG12  ILE  61          HG12      ILE  61  -0.584  12.587 -10.232
  446   HG13  ILE  61          HG13      ILE  61  -1.142  13.769 -11.406
  447   HG21  ILE  61          HG21      ILE  61  -1.927  12.029  -8.289
  448   HG22  ILE  61          HG22      ILE  61  -1.368  13.573  -7.602
  449   HG23  ILE  61          HG23      ILE  61  -3.077  13.201  -7.602
  450   HD11  ILE  61          HD11      ILE  61   0.401  14.400  -8.871
  451   HD12  ILE  61          HD12      ILE  61   0.976  14.522 -10.544
  452   HD13  ILE  61          HD13      ILE  61  -0.294  15.619  -9.958
  453    H    LYS  62           H        LYS  62  -4.768  11.138  -9.683
  454    HA   LYS  62           HA       LYS  62  -7.082  12.608  -8.550
  455    HB2  LYS  62           HB2      LYS  62  -7.078  10.398 -10.115
  456    HB3  LYS  62           HB3      LYS  62  -6.857   9.587  -8.568
  457    HG2  LYS  62           HG2      LYS  62  -8.933  10.719  -7.732
  458    HG3  LYS  62           HG3      LYS  62  -9.109  11.529  -9.293
  459    HD2  LYS  62           HD2      LYS  62  -9.303   9.328 -10.445
  460    HD3  LYS  62           HD3      LYS  62  -9.122   8.500  -8.880
  461    HE2  LYS  62           HE2      LYS  62 -11.171   9.638  -8.036
  462    HE3  LYS  62           HE3      LYS  62 -11.343  10.483  -9.580
  463    HZ1  LYS  62           HZ1      LYS  62 -12.774   8.540  -9.467
  464    HZ2  LYS  62           HZ2      LYS  62 -11.682   8.328 -10.660
  465    HZ3  LYS  62           HZ3      LYS  62 -11.505   7.536  -9.233
  466    H    ALA  63           H        ALA  63  -6.773  13.202  -6.479
  467    HA   ALA  63           HA       ALA  63  -5.017  11.570  -4.729
  468    HB1  ALA  63           HB1      ALA  63  -4.224  13.876  -5.068
  469    HB2  ALA  63           HB2      ALA  63  -5.803  14.498  -4.524
  470    HB3  ALA  63           HB3      ALA  63  -4.760  13.600  -3.403
  471    H    VAL  64           H        VAL  64  -6.574  10.086  -4.101
  472    HA   VAL  64           HA       VAL  64  -9.328  10.920  -3.738
  473    HB   VAL  64           HB       VAL  64  -8.388   8.093  -3.224
  474   HG11  VAL  64          HG11      VAL  64 -10.767   9.251  -4.733
  475   HG12  VAL  64          HG12      VAL  64 -10.510   7.539  -4.327
  476   HG13  VAL  64          HG13      VAL  64 -10.779   8.715  -3.041
  477   HG21  VAL  64          HG21      VAL  64  -8.474   9.264  -6.020
  478   HG22  VAL  64          HG22      VAL  64  -7.087   8.496  -5.195
  479   HG23  VAL  64          HG23      VAL  64  -8.485   7.527  -5.637
  480    H    SER  65           H        SER  65 -10.208  11.324  -1.698
  481    HA   SER  65           HA       SER  65  -8.619  10.854   0.687
  482    HB2  SER  65           HB2      SER  65 -11.398  12.043   0.429
  483    HB3  SER  65           HB3      SER  65 -10.285  12.177   1.808
  484    HG   SER  65           HG       SER  65 -10.154  14.054   0.522
  485    H    SER  66           H        SER  66  -8.953   8.429  -0.314
  486    HA   SER  66           HA       SER  66 -11.346   7.042   0.366
  487    HB2  SER  66           HB2      SER  66  -8.511   6.042  -0.130
  488    HB3  SER  66           HB3      SER  66  -9.983   5.039  -0.133
  489    HG   SER  66           HG       SER  66  -9.568   5.590  -2.244
  490    H    GLY  67           H        GLY  67 -11.589   5.324   1.939
  491    HA2  GLY  67           HA2      GLY  67 -11.302   4.190   3.919
  492    HA3  GLY  67           HA3      GLY  67  -9.702   4.915   4.076
  493    H    LYS  68           H        LYS  68 -10.307   4.973   6.363
  494    HA   LYS  68           HA       LYS  68 -12.394   6.658   7.378
  495    HB2  LYS  68           HB2      LYS  68 -11.347   4.766   8.592
  496    HB3  LYS  68           HB3      LYS  68  -9.823   5.654   8.700
  497    HG2  LYS  68           HG2      LYS  68 -10.898   7.369  10.107
  498    HG3  LYS  68           HG3      LYS  68 -12.468   6.578   9.926
  499    HD2  LYS  68           HD2      LYS  68 -10.022   5.318  11.248
  500    HD3  LYS  68           HD3      LYS  68 -11.318   6.159  12.108
  501    HE2  LYS  68           HE2      LYS  68 -12.976   4.524  11.208
  502    HE3  LYS  68           HE3      LYS  68 -11.669   3.645  10.405
  503    HZ1  LYS  68           HZ1      LYS  68 -12.225   2.639  12.525
  504    HZ2  LYS  68           HZ2      LYS  68 -10.699   3.209  12.593
  505    HZ3  LYS  68           HZ3      LYS  68 -11.919   4.016  13.339
  506    H    ARG  69           H        ARG  69 -12.151   8.735   8.452
  507    HA   ARG  69           HA       ARG  69 -10.508  10.578   6.948
  508    HB2  ARG  69           HB2      ARG  69 -12.890  10.871   7.866
  509    HB3  ARG  69           HB3      ARG  69 -12.168  11.234   9.422
  510    HG2  ARG  69           HG2      ARG  69 -11.698  12.709   6.781
  511    HG3  ARG  69           HG3      ARG  69 -12.792  13.232   8.053
  512    HD2  ARG  69           HD2      ARG  69  -9.777  13.007   8.327
  513    HD3  ARG  69           HD3      ARG  69 -10.664  14.500   8.015
  514    HE   ARG  69           HE       ARG  69 -11.868  13.637  10.279
  515   HH11  ARG  69          HH21      ARG  69  -8.427  14.102   9.453
  516   HH12  ARG  69          HH22      ARG  69  -7.949  14.460  11.080
  517   HH21  ARG  69          HH11      ARG  69 -11.218  14.079  12.447
  518   HH22  ARG  69          HH12      ARG  69  -9.567  14.437  12.815
  519    H    LYS  70           H        LYS  70  -8.443   9.644   7.422
  520    HA   LYS  70           HA       LYS  70  -7.163  10.926   9.773
  521    HB2  LYS  70           HB2      LYS  70  -5.755   8.866  10.115
  522    HB3  LYS  70           HB3      LYS  70  -7.430   8.755  10.601
  523    HG2  LYS  70           HG2      LYS  70  -6.615   6.700   9.567
  524    HG3  LYS  70           HG3      LYS  70  -8.020   7.363   8.750
  525    HD2  LYS  70           HD2      LYS  70  -6.609   8.211   6.911
  526    HD3  LYS  70           HD3      LYS  70  -5.149   7.657   7.732
  527    HE2  LYS  70           HE2      LYS  70  -7.438   5.814   6.871
  528    HE3  LYS  70           HE3      LYS  70  -6.026   6.151   5.872
  529    HZ1  LYS  70           HZ1      LYS  70  -5.701   4.111   7.069
  530    HZ2  LYS  70           HZ2      LYS  70  -4.621   5.195   7.631
  531    HZ3  LYS  70           HZ3      LYS  70  -5.943   4.804   8.521
  532    H    GLU  71           H        GLU  71  -7.378  11.582   6.928
  533    HA   GLU  71           HA       GLU  71  -6.265  12.026   5.067
  534    HB2  GLU  71           HB2      GLU  71  -4.090  12.767   7.079
  535    HB3  GLU  71           HB3      GLU  71  -4.110  13.246   5.388
  536    HG2  GLU  71           HG2      GLU  71  -4.924  15.098   6.553
  537    HG3  GLU  71           HG3      GLU  71  -6.312  14.384   5.752
  538    H    GLY  72           H        GLY  72  -6.444   9.534   4.905
  539    HA2  GLY  72           HA2      GLY  72  -3.792   8.367   4.183
  540    HA3  GLY  72           HA3      GLY  72  -5.311   7.483   4.369
  541    H    ILE  73           H        ILE  73  -4.254  10.418   2.535
  542    HA   ILE  73           HA       ILE  73  -6.228   9.957   0.479
  543    HB   ILE  73           HB       ILE  73  -3.920  11.923   0.706
  544   HG12  ILE  73          HG12      ILE  73  -5.702  13.630   0.861
  545   HG13  ILE  73          HG13      ILE  73  -6.948  12.388   0.772
  546   HG21  ILE  73          HG21      ILE  73  -4.854  13.097  -1.226
  547   HG22  ILE  73          HG22      ILE  73  -4.334  11.483  -1.709
  548   HG23  ILE  73          HG23      ILE  73  -6.066  11.819  -1.456
  549   HD11  ILE  73          HD11      ILE  73  -6.421  11.592   2.928
  550   HD12  ILE  73          HD12      ILE  73  -4.935  12.600   3.005
  551   HD13  ILE  73          HD13      ILE  73  -6.551  13.349   3.015
  552    H    ILE  74           H        ILE  74  -5.990   8.768  -1.399
  553    HA   ILE  74           HA       ILE  74  -3.443   7.317  -1.854
  554    HB   ILE  74           HB       ILE  74  -6.225   6.996  -3.048
  555   HG12  ILE  74          HG12      ILE  74  -6.182   6.353  -0.702
  556   HG13  ILE  74          HG13      ILE  74  -6.408   4.955  -1.743
  557   HG21  ILE  74          HG21      ILE  74  -3.712   5.321  -3.488
  558   HG22  ILE  74          HG22      ILE  74  -5.355   4.830  -3.958
  559   HG23  ILE  74          HG23      ILE  74  -4.616   6.252  -4.700
  560   HD11  ILE  74          HD11      ILE  74  -4.925   4.421   0.117
  561   HD12  ILE  74          HD12      ILE  74  -4.022   4.316  -1.399
  562   HD13  ILE  74          HD13      ILE  74  -3.822   5.726  -0.325
  563    H    HIS  75           H        HIS  75  -2.068   8.079  -3.487
  564    HA   HIS  75           HA       HIS  75  -3.172  10.175  -5.316
  565    HB2  HIS  75           HB2      HIS  75  -0.334   9.631  -4.382
  566    HB3  HIS  75           HB3      HIS  75  -0.758  10.723  -5.698
  567    HD1  HIS  75           HD1      HIS  75  -1.363  10.455  -1.855
  568    HD2  HIS  75           HD2      HIS  75  -1.616  13.126  -5.100
  569    HE1  HIS  75           HE1      HIS  75  -1.775  12.767  -0.867
  570    H    THR  76           H        THR  76  -3.502   9.585  -7.377
  571    HA   THR  76           HA       THR  76  -1.845   7.431  -8.561
  572    HB   THR  76           HB       THR  76  -4.784   7.763  -9.265
  573    HG1  THR  76           HG1      THR  76  -4.903   7.219  -7.115
  574   HG21  THR  76          HG21      THR  76  -4.497   5.373  -9.885
  575   HG22  THR  76          HG22      THR  76  -3.506   6.491 -10.850
  576   HG23  THR  76          HG23      THR  76  -2.759   5.511  -9.559
  577    H    LEU  77           H        LEU  77  -1.361   7.812 -10.819
  578    HA   LEU  77           HA       LEU  77  -2.124  10.509 -11.819
  579    HB2  LEU  77           HB2      LEU  77   0.256  10.050 -11.873
  580    HB3  LEU  77           HB3      LEU  77  -0.021   8.519 -12.711
  581    HG   LEU  77           HG       LEU  77  -0.959   9.797 -14.657
  582   HD11  LEU  77          HD11      LEU  77  -0.055  12.179 -12.996
  583   HD12  LEU  77          HD12      LEU  77  -0.400  12.267 -14.738
  584   HD13  LEU  77          HD13      LEU  77  -1.695  11.872 -13.612
  585   HD21  LEU  77          HD21      LEU  77   1.216  10.647 -15.450
  586   HD22  LEU  77          HD22      LEU  77   1.855  10.566 -13.791
  587   HD23  LEU  77          HD23      LEU  77   1.373   9.078 -14.645
  588    H    ILE  78           H        ILE  78  -3.719  10.607 -13.322
  589    HA   ILE  78           HA       ILE  78  -4.428   8.180 -14.834
  590    HB   ILE  78           HB       ILE  78  -6.048  10.473 -13.738
  591   HG12  ILE  78          HG12      ILE  78  -7.735   8.708 -13.326
  592   HG13  ILE  78          HG13      ILE  78  -6.668   7.497 -14.044
  593   HG21  ILE  78          HG21      ILE  78  -6.697   9.003 -16.296
  594   HG22  ILE  78          HG22      ILE  78  -7.918   9.806 -15.306
  595   HG23  ILE  78          HG23      ILE  78  -6.604  10.774 -15.983
  596   HD11  ILE  78          HD11      ILE  78  -6.747   7.615 -11.514
  597   HD12  ILE  78          HD12      ILE  78  -5.127   7.699 -12.221
  598   HD13  ILE  78          HD13      ILE  78  -5.925   9.198 -11.645
  599    H    VAL  79           H        VAL  79  -4.339   8.463 -17.109
  600    HA   VAL  79           HA       VAL  79  -3.851  11.136 -18.192
  601    HB   VAL  79           HB       VAL  79  -2.190   8.705 -18.917
  602   HG11  VAL  79          HG11      VAL  79  -0.876  10.280 -20.337
  603   HG12  VAL  79          HG12      VAL  79  -2.548  10.142 -20.891
  604   HG13  VAL  79          HG13      VAL  79  -2.037  11.572 -19.968
  605   HG21  VAL  79          HG21      VAL  79  -1.493  11.240 -17.400
  606   HG22  VAL  79          HG22      VAL  79  -1.450   9.570 -16.804
  607   HG23  VAL  79          HG23      VAL  79  -0.293  10.110 -18.037
  608    H    ASP  80           H        ASP  80  -5.005  11.512 -19.989
  609    HA   ASP  80           HA       ASP  80  -6.852  11.305 -21.257
  610    HB2  ASP  80           HB2      ASP  80  -4.968  10.590 -22.694
  611    HB3  ASP  80           HB3      ASP  80  -5.354   8.903 -22.339
  612    H    ASN  81           H        ASN  81  -7.367  10.403 -18.804
  613    HA   ASN  81           HA       ASN  81  -8.864   9.448 -17.519
  614    HB2  ASN  81           HB2      ASN  81 -10.379  10.234 -19.393
  615    HB3  ASN  81           HB3      ASN  81 -10.427   8.555 -19.937
  616   HD21  ASN  81          HD22      ASN  81 -12.685   8.246 -19.469
  617   HD22  ASN  81          HD21      ASN  81 -13.313   8.279 -17.840
  618    H    ARG  82           H        ARG  82  -6.614   7.585 -18.707
  619    HA   ARG  82           HA       ARG  82  -7.732   5.195 -17.358
  620    HB2  ARG  82           HB2      ARG  82  -5.677   5.370 -19.613
  621    HB3  ARG  82           HB3      ARG  82  -5.837   3.961 -18.565
  622    HG2  ARG  82           HG2      ARG  82  -7.397   3.218 -20.003
  623    HG3  ARG  82           HG3      ARG  82  -8.453   4.365 -19.173
  624    HD2  ARG  82           HD2      ARG  82  -8.791   4.699 -21.494
  625    HD3  ARG  82           HD3      ARG  82  -7.887   6.079 -20.870
  626    HE   ARG  82           HE       ARG  82  -6.319   3.863 -22.050
  627   HH11  ARG  82          HH11      ARG  82  -7.647   7.116 -22.472
  628   HH12  ARG  82          HH12      ARG  82  -6.859   7.431 -23.973
  629   HH21  ARG  82          HH21      ARG  82  -5.174   4.278 -24.032
  630   HH22  ARG  82          HH22      ARG  82  -5.411   5.762 -24.875
  631    H    GLU  83           H        GLU  83  -6.343   4.021 -16.026
  632    HA   GLU  83           HA       GLU  83  -4.965   5.864 -14.261
  633    HB2  GLU  83           HB2      GLU  83  -6.634   4.452 -13.348
  634    HB3  GLU  83           HB3      GLU  83  -5.909   2.985 -14.046
  635    HG2  GLU  83           HG2      GLU  83  -3.954   3.226 -12.564
  636    HG3  GLU  83           HG3      GLU  83  -4.619   4.744 -11.955
  637    H    ILE  84           H        ILE  84  -2.825   5.849 -13.685
  638    HA   ILE  84           HA       ILE  84  -0.969   4.055 -15.148
  639    HB   ILE  84           HB       ILE  84  -0.550   6.944 -14.277
  640   HG12  ILE  84          HG12      ILE  84  -2.153   7.061 -16.033
  641   HG13  ILE  84          HG13      ILE  84  -0.581   7.588 -16.596
  642   HG21  ILE  84          HG21      ILE  84   1.468   6.888 -15.612
  643   HG22  ILE  84          HG22      ILE  84   1.530   5.649 -14.362
  644   HG23  ILE  84          HG23      ILE  84   1.194   5.188 -16.039
  645   HD11  ILE  84          HD11      ILE  84  -1.785   6.272 -18.293
  646   HD12  ILE  84          HD12      ILE  84  -0.262   5.482 -17.833
  647   HD13  ILE  84          HD13      ILE  84  -1.815   4.880 -17.212
  648    HA   PRO  85           HA       PRO  85  -0.253   3.095 -10.761
  649    HB2  PRO  85           HB2      PRO  85   1.457   0.980 -11.005
  650    HB3  PRO  85           HB3      PRO  85  -0.296   0.865 -11.369
  651    HG2  PRO  85           HG2      PRO  85   1.989   1.294 -13.323
  652    HG3  PRO  85           HG3      PRO  85   0.636   0.127 -13.442
  653    HD2  PRO  85           HD2      PRO  85   0.602   2.551 -14.713
  654    HD3  PRO  85           HD3      PRO  85  -0.894   1.827 -14.043
  655    H    GLU  86           H        GLU  86   1.328   3.629  -9.226
  656    HA   GLU  86           HA       GLU  86   3.448   5.394 -10.054
  657    HB2  GLU  86           HB2      GLU  86   3.681   5.938  -7.865
  658    HB3  GLU  86           HB3      GLU  86   1.961   5.620  -8.000
  659    HG2  GLU  86           HG2      GLU  86   4.117   3.822  -6.837
  660    HG3  GLU  86           HG3      GLU  86   2.897   4.697  -5.928
  661    H    ILE  87           H        ILE  87   5.670   5.115  -9.172
  662    HA   ILE  87           HA       ILE  87   6.642   2.386  -8.827
  663    HB   ILE  87           HB       ILE  87   8.608   3.072 -10.123
  664   HG12  ILE  87          HG12      ILE  87   7.057   5.203 -11.572
  665   HG13  ILE  87          HG13      ILE  87   8.039   5.589 -10.160
  666   HG21  ILE  87          HG21      ILE  87   7.678   2.464 -12.314
  667   HG22  ILE  87          HG22      ILE  87   6.846   1.578 -11.028
  668   HG23  ILE  87          HG23      ILE  87   6.068   2.991 -11.797
  669   HD11  ILE  87          HD11      ILE  87   9.285   5.871 -12.320
  670   HD12  ILE  87          HD12      ILE  87  10.052   4.742 -11.189
  671   HD13  ILE  87          HD13      ILE  87   9.158   4.131 -12.589
  672    H    ALA  88           H        ALA  88   8.729   2.382  -7.770
  673    HA   ALA  88           HA       ALA  88   9.508   4.856  -6.359
  674    HB1  ALA  88           HB1      ALA  88   9.148   2.138  -5.044
  675    HB2  ALA  88           HB2      ALA  88   9.719   3.615  -4.242
  676    HB3  ALA  88           HB3      ALA  88   8.049   3.529  -4.837
  677    H    SER  89           H        SER  89  10.521   3.420  -8.648
  678    HA   SER  89           HA       SER  89  13.312   2.848  -7.813
  679    HB2  SER  89           HB2      SER  89  11.747   1.137  -9.787
  680    HB3  SER  89           HB3      SER  89  13.418   0.903  -9.258
  681    HG   SER  89           HG       SER  89  11.934  -0.487  -8.124
  Start of MODEL   17
    1    H1   GLU   1           H1       GLU   1  11.545  23.773   4.859
    2    H2   GLU   1           H2       GLU   1  12.179  24.970   5.799
    3    H3   GLU   1           H3       GLU   1  13.163  23.933   4.988
    4    HA   GLU   1           HA       GLU   1  13.129  23.341   7.291
    5    HB2  GLU   1           HB2      GLU   1  10.865  24.283   7.732
    6    HB3  GLU   1           HB3      GLU   1  10.141  22.933   6.862
    7    HG2  GLU   1           HG2      GLU   1   9.995  22.645   9.286
    8    HG3  GLU   1           HG3      GLU   1  10.933  21.357   8.558
    9    H    ASP   2           H        ASP   2  13.335  21.084   7.928
   10    HA   ASP   2           HA       ASP   2  13.896  19.335   5.679
   11    HB2  ASP   2           HB2      ASP   2  15.274  19.310   7.700
   12    HB3  ASP   2           HB3      ASP   2  13.870  18.865   8.683
   13    H    ARG   3           H        ARG   3  12.834  17.437   5.053
   14    HA   ARG   3           HA       ARG   3  10.389  16.609   6.433
   15    HB2  ARG   3           HB2      ARG   3   9.773  18.304   4.552
   16    HB3  ARG   3           HB3      ARG   3  10.386  17.102   3.420
   17    HG2  ARG   3           HG2      ARG   3   8.057  16.758   3.443
   18    HG3  ARG   3           HG3      ARG   3   8.667  15.467   4.463
   19    HD2  ARG   3           HD2      ARG   3   8.184  16.952   6.477
   20    HD3  ARG   3           HD3      ARG   3   7.409  18.090   5.383
   21    HE   ARG   3           HE       ARG   3   6.478  15.419   6.235
   22   HH11  ARG   3          HH21      ARG   3   5.853  18.121   3.952
   23   HH12  ARG   3          HH22      ARG   3   4.150  17.807   3.896
   24   HH21  ARG   3          HH11      ARG   3   4.254  14.968   6.024
   25   HH22  ARG   3          HH12      ARG   3   3.246  15.934   5.014
   26    H    SER   4           H        SER   4  10.074  14.352   6.199
   27    HA   SER   4           HA       SER   4  12.184  12.688   5.242
   28    HB2  SER   4           HB2      SER   4   9.240  11.989   5.614
   29    HB3  SER   4           HB3      SER   4  10.621  10.876   5.655
   30    HG   SER   4           HG       SER   4   9.907  11.454   7.773
   31    H    LYS   5           H        LYS   5  12.062  11.191   3.351
   32    HA   LYS   5           HA       LYS   5  11.244  12.590   0.983
   33    HB2  LYS   5           HB2      LYS   5  13.196  10.988   1.131
   34    HB3  LYS   5           HB3      LYS   5  12.051   9.655   1.287
   35    HG2  LYS   5           HG2      LYS   5  12.841   9.780  -0.993
   36    HG3  LYS   5           HG3      LYS   5  11.128  10.205  -0.974
   37    HD2  LYS   5           HD2      LYS   5  11.690  12.606  -1.136
   38    HD3  LYS   5           HD3      LYS   5  13.423  12.223  -1.017
   39    HE2  LYS   5           HE2      LYS   5  13.301  10.978  -3.145
   40    HE3  LYS   5           HE3      LYS   5  11.558  11.262  -3.231
   41    HZ1  LYS   5           HZ1      LYS   5  12.027  13.665  -3.341
   42    HZ2  LYS   5           HZ2      LYS   5  13.649  13.373  -3.313
   43    HZ3  LYS   5           HZ3      LYS   5  12.759  12.872  -4.589
   44    H    THR   6           H        THR   6   9.225  12.649   0.097
   45    HA   THR   6           HA       THR   6   7.210  10.566   0.809
   46    HB   THR   6           HB       THR   6   6.745  13.563   1.076
   47    HG1  THR   6           HG1      THR   6   8.206  13.074   2.692
   48   HG21  THR   6          HG21      THR   6   4.766  12.070   0.796
   49   HG22  THR   6          HG22      THR   6   5.277  11.128   2.202
   50   HG23  THR   6          HG23      THR   6   4.797  12.832   2.390
   51    H    THR   7           H        THR   7   7.247   9.764  -1.297
   52    HA   THR   7           HA       THR   7   6.306  11.592  -3.432
   53    HB   THR   7           HB       THR   7   8.106  10.196  -4.848
   54    HG1  THR   7           HG1      THR   7   9.015   8.986  -3.175
   55   HG21  THR   7          HG21      THR   7   8.801  12.610  -3.131
   56   HG22  THR   7          HG22      THR   7   9.804  11.987  -4.460
   57   HG23  THR   7          HG23      THR   7   8.195  12.600  -4.806
   58    H    ASN   8           H        ASN   8   5.230  10.657  -5.122
   59    HA   ASN   8           HA       ASN   8   4.533   7.711  -5.001
   60    HB2  ASN   8           HB2      ASN   8   2.886   9.979  -6.195
   61    HB3  ASN   8           HB3      ASN   8   2.534   8.264  -6.307
   62   HD21  ASN   8          HD22      ASN   8   2.648   7.202  -3.837
   63   HD22  ASN   8          HD21      ASN   8   1.591   8.065  -2.737
   64    H    THR   9           H        THR   9   5.083   6.600  -6.889
   65    HA   THR   9           HA       THR   9   5.966   8.271  -9.170
   66    HB   THR   9           HB       THR   9   7.326   5.702  -8.306
   67    HG1  THR   9           HG1      THR   9   8.036   7.229  -6.941
   68   HG21  THR   9          HG21      THR   9   9.024   6.321 -10.035
   69   HG22  THR   9          HG22      THR   9   7.458   5.831 -10.703
   70   HG23  THR   9          HG23      THR   9   7.904   7.534 -10.660
   71    H    TRP  10           H        TRP  10   5.386   7.615 -11.132
   72    HA   TRP  10           HA       TRP  10   3.773   5.143 -11.508
   73    HB2  TRP  10           HB2      TRP  10   3.097   7.992 -12.397
   74    HB3  TRP  10           HB3      TRP  10   2.261   6.538 -12.939
   75    HD1  TRP  10           HD1      TRP  10   1.001   5.164 -11.035
   76    HE1  TRP  10           HE1      TRP  10  -0.388   5.968  -9.016
   77    HE3  TRP  10           HE3      TRP  10   3.067   9.748 -10.549
   78    HZ2  TRP  10           HZ2      TRP  10  -0.563   8.427  -7.412
   79    HZ3  TRP  10           HZ3      TRP  10   2.201  11.378  -8.907
   80    HH2  TRP  10           HH2      TRP  10   0.389  10.731  -7.316
   81    H    VAL  11           H        VAL  11   3.904   4.420 -13.720
   82    HA   VAL  11           HA       VAL  11   5.847   5.839 -15.388
   83    HB   VAL  11           HB       VAL  11   5.648   2.926 -15.029
   84   HG11  VAL  11          HG11      VAL  11   7.409   4.570 -16.934
   85   HG12  VAL  11          HG12      VAL  11   7.590   2.823 -16.646
   86   HG13  VAL  11          HG13      VAL  11   6.129   3.444 -17.426
   87   HG21  VAL  11          HG21      VAL  11   7.855   4.890 -14.382
   88   HG22  VAL  11          HG22      VAL  11   6.835   4.013 -13.220
   89   HG23  VAL  11          HG23      VAL  11   7.985   3.118 -14.228
   90    H    LEU  12           H        LEU  12   5.191   6.271 -17.407
   91    HA   LEU  12           HA       LEU  12   2.530   5.216 -18.302
   92    HB2  LEU  12           HB2      LEU  12   3.825   7.905 -18.928
   93    HB3  LEU  12           HB3      LEU  12   2.248   7.331 -19.483
   94    HG   LEU  12           HG       LEU  12   2.961   7.936 -16.588
   95   HD11  LEU  12          HD11      LEU  12   1.337   9.491 -18.656
   96   HD12  LEU  12          HD12      LEU  12   1.524   9.930 -16.946
   97   HD13  LEU  12          HD13      LEU  12   2.927   9.945 -18.015
   98   HD21  LEU  12          HD21      LEU  12   1.248   6.157 -16.834
   99   HD22  LEU  12          HD22      LEU  12   0.533   7.661 -16.246
  100   HD23  LEU  12          HD23      LEU  12   0.335   7.173 -17.955
  101    H    HIS  13           H        HIS  13   2.704   4.003 -20.063
  102    HA   HIS  13           HA       HIS  13   5.092   4.306 -21.759
  103    HB2  HIS  13           HB2      HIS  13   4.573   2.014 -21.001
  104    HB3  HIS  13           HB3      HIS  13   2.978   2.117 -21.735
  105    HD1  HIS  13           HD1      HIS  13   6.078   3.351 -23.692
  106    HD2  HIS  13           HD2      HIS  13   3.460   0.057 -23.367
  107    HE1  HIS  13           HE1      HIS  13   6.594   1.816 -25.661
  108    H    MET  14           H        MET  14   4.803   5.737 -23.460
  109    HA   MET  14           HA       MET  14   2.219   5.951 -24.789
  110    HB2  MET  14           HB2      MET  14   3.561   8.373 -23.514
  111    HB3  MET  14           HB3      MET  14   2.141   8.408 -24.564
  112    HG2  MET  14           HG2      MET  14   0.917   7.028 -22.867
  113    HG3  MET  14           HG3      MET  14   2.316   7.181 -21.795
  114    HE1  MET  14           HE1      MET  14   3.045  10.433 -22.498
  115    HE2  MET  14           HE2      MET  14   2.278  11.081 -21.032
  116    HE3  MET  14           HE3      MET  14   3.242   9.588 -20.941
  117    H    ASP  15           H        ASP  15   2.504   6.495 -26.936
  118    HA   ASP  15           HA       ASP  15   3.579   6.612 -28.904
  119    HB2  ASP  15           HB2      ASP  15   3.364   8.964 -28.172
  120    HB3  ASP  15           HB3      ASP  15   5.022   8.916 -27.573
  121    H    GLY  16           H        GLY  16   4.706   4.606 -27.330
  122    HA2  GLY  16           HA2      GLY  16   6.366   3.056 -27.660
  123    HA3  GLY  16           HA3      GLY  16   7.187   4.170 -28.761
  124    H    GLU  17           H        GLU  17   6.769   5.994 -25.994
  125    HA   GLU  17           HA       GLU  17   9.420   5.290 -24.943
  126    HB2  GLU  17           HB2      GLU  17   7.844   7.878 -25.029
  127    HB3  GLU  17           HB3      GLU  17   9.181   7.643 -23.896
  128    HG2  GLU  17           HG2      GLU  17  10.687   7.066 -25.785
  129    HG3  GLU  17           HG3      GLU  17   9.377   7.399 -26.926
  130    H    ASN  18           H        ASN  18   9.649   5.725 -22.549
  131    HA   ASN  18           HA       ASN  18   7.214   5.111 -21.002
  132    HB2  ASN  18           HB2      ASN  18   9.907   3.774 -20.770
  133    HB3  ASN  18           HB3      ASN  18   8.941   4.077 -19.329
  134   HD21  ASN  18          HD22      ASN  18   8.922   2.321 -22.464
  135   HD22  ASN  18          HD21      ASN  18   7.608   1.257 -22.032
  136    H    PHE  19           H        PHE  19   6.773   6.700 -19.682
  137    HA   PHE  19           HA       PHE  19   8.888   8.689 -18.960
  138    HB2  PHE  19           HB2      PHE  19   5.867   9.013 -19.084
  139    HB3  PHE  19           HB3      PHE  19   7.019  10.252 -18.645
  140    HD1  PHE  19           HD1      PHE  19   5.632   8.243 -21.435
  141    HD2  PHE  19           HD2      PHE  19   8.375  11.391 -20.340
  142    HE1  PHE  19           HE1      PHE  19   5.886   8.866 -23.824
  143    HE2  PHE  19           HE2      PHE  19   8.621  12.004 -22.737
  144    HZ   PHE  19           HZ       PHE  19   7.389  10.719 -24.484
  145    H    ARG  20           H        ARG  20   9.496   8.643 -16.804
  146    HA   ARG  20           HA       ARG  20   7.754   7.283 -14.873
  147    HB2  ARG  20           HB2      ARG  20  10.335   7.064 -14.976
  148    HB3  ARG  20           HB3      ARG  20  10.364   8.632 -14.157
  149    HG2  ARG  20           HG2      ARG  20   9.825   7.732 -12.169
  150    HG3  ARG  20           HG3      ARG  20   8.484   6.814 -12.860
  151    HD2  ARG  20           HD2      ARG  20  10.033   5.226 -11.950
  152    HD3  ARG  20           HD3      ARG  20  10.070   5.132 -13.724
  153    HE   ARG  20           HE       ARG  20  12.085   6.948 -12.760
  154   HH11  ARG  20          HH11      ARG  20  11.443   3.445 -12.933
  155   HH12  ARG  20          HH12      ARG  20  13.113   3.005 -12.937
  156   HH21  ARG  20          HH21      ARG  20  14.306   6.348 -12.782
  157   HH22  ARG  20          HH22      ARG  20  14.764   4.684 -12.826
  158    H    ILE  21           H        ILE  21   6.295   8.505 -13.717
  159    HA   ILE  21           HA       ILE  21   6.562  11.437 -13.650
  160    HB   ILE  21           HB       ILE  21   4.217   9.610 -13.106
  161   HG12  ILE  21          HG12      ILE  21   4.691   9.855 -15.457
  162   HG13  ILE  21          HG13      ILE  21   3.156  10.603 -15.033
  163   HG21  ILE  21          HG21      ILE  21   2.821  11.583 -12.731
  164   HG22  ILE  21          HG22      ILE  21   4.091  11.507 -11.509
  165   HG23  ILE  21          HG23      ILE  21   4.252  12.633 -12.877
  166   HD11  ILE  21          HD11      ILE  21   4.442  11.889 -16.680
  167   HD12  ILE  21          HD12      ILE  21   4.186  12.841 -15.205
  168   HD13  ILE  21          HD13      ILE  21   5.770  12.095 -15.546
  169    H    VAL  22           H        VAL  22   7.155  12.259 -11.574
  170    HA   VAL  22           HA       VAL  22   6.637  10.508  -9.278
  171    HB   VAL  22           HB       VAL  22   9.145  12.179  -9.609
  172   HG11  VAL  22          HG11      VAL  22   8.296  10.206  -7.434
  173   HG12  VAL  22          HG12      VAL  22   9.858  11.055  -7.504
  174   HG13  VAL  22          HG13      VAL  22   8.371  11.976  -7.246
  175   HG21  VAL  22          HG21      VAL  22  10.393  10.064  -9.674
  176   HG22  VAL  22          HG22      VAL  22   8.876   9.155  -9.634
  177   HG23  VAL  22          HG23      VAL  22   9.280  10.171 -11.041
  178    H    LEU  23           H        LEU  23   5.247  11.505  -7.982
  179    HA   LEU  23           HA       LEU  23   4.933  14.479  -8.049
  180    HB2  LEU  23           HB2      LEU  23   2.854  13.323  -8.095
  181    HB3  LEU  23           HB3      LEU  23   3.372  12.178  -6.857
  182    HG   LEU  23           HG       LEU  23   3.377  14.046  -5.153
  183   HD11  LEU  23          HD11      LEU  23   1.980  16.048  -5.725
  184   HD12  LEU  23          HD12      LEU  23   3.562  16.033  -6.515
  185   HD13  LEU  23          HD13      LEU  23   2.104  15.608  -7.440
  186   HD21  LEU  23          HD21      LEU  23   0.921  14.096  -4.907
  187   HD22  LEU  23          HD22      LEU  23   0.776  13.395  -6.543
  188   HD23  LEU  23          HD23      LEU  23   1.555  12.486  -5.242
  189    H    GLU  24           H        GLU  24   6.128  15.644  -6.629
  190    HA   GLU  24           HA       GLU  24   7.239  14.392  -4.171
  191    HB2  GLU  24           HB2      GLU  24   7.920  16.692  -5.904
  192    HB3  GLU  24           HB3      GLU  24   7.776  17.179  -4.221
  193    HG2  GLU  24           HG2      GLU  24   9.461  14.860  -5.224
  194    HG3  GLU  24           HG3      GLU  24  10.072  16.482  -4.920
  195    H    LYS  25           H        LYS  25   5.835  14.258  -2.492
  196    HA   LYS  25           HA       LYS  25   3.238  15.499  -2.798
  197    HB2  LYS  25           HB2      LYS  25   4.470  13.830  -0.617
  198    HB3  LYS  25           HB3      LYS  25   2.828  14.483  -0.531
  199    HG2  LYS  25           HG2      LYS  25   2.148  13.343  -2.564
  200    HG3  LYS  25           HG3      LYS  25   3.799  12.808  -2.891
  201    HD2  LYS  25           HD2      LYS  25   2.424  11.012  -2.000
  202    HD3  LYS  25           HD3      LYS  25   3.812  11.370  -0.978
  203    HE2  LYS  25           HE2      LYS  25   2.299  12.655   0.572
  204    HE3  LYS  25           HE3      LYS  25   0.932  12.329  -0.498
  205    HZ1  LYS  25           HZ1      LYS  25   2.463  10.232   0.971
  206    HZ2  LYS  25           HZ2      LYS  25   1.029  10.859   1.438
  207    HZ3  LYS  25           HZ3      LYS  25   1.121   9.982   0.054
  208    H    ASP  26           H        ASP  26   6.130  16.295  -0.885
  209    HA   ASP  26           HA       ASP  26   4.890  17.984   1.023
  210    HB2  ASP  26           HB2      ASP  26   7.197  17.142   1.219
  211    HB3  ASP  26           HB3      ASP  26   7.693  18.157  -0.144
  212    H    ALA  27           H        ALA  27   6.266  18.712  -2.200
  213    HA   ALA  27           HA       ALA  27   5.387  21.491  -2.051
  214    HB1  ALA  27           HB1      ALA  27   6.731  21.751  -4.092
  215    HB2  ALA  27           HB2      ALA  27   7.669  20.942  -2.817
  216    HB3  ALA  27           HB3      ALA  27   6.989  19.996  -4.165
  217    H    MET  28           H        MET  28   4.191  18.502  -3.316
  218    HA   MET  28           HA       MET  28   2.722  17.859  -4.793
  219    HB2  MET  28           HB2      MET  28   1.316  20.510  -4.342
  220    HB3  MET  28           HB3      MET  28   0.679  19.136  -5.252
  221    HG2  MET  28           HG2      MET  28   1.086  17.721  -3.143
  222    HG3  MET  28           HG3      MET  28   1.329  19.249  -2.300
  223    HE1  MET  28           HE1      MET  28  -1.309  17.936  -5.086
  224    HE2  MET  28           HE2      MET  28  -1.093  16.687  -3.841
  225    HE3  MET  28           HE3      MET  28  -2.643  17.545  -3.978
  226    H    ASP  29           H        ASP  29   5.065  18.511  -5.792
  227    HA   ASP  29           HA       ASP  29   4.560  19.985  -8.322
  228    HB2  ASP  29           HB2      ASP  29   6.365  20.941  -6.851
  229    HB3  ASP  29           HB3      ASP  29   7.240  19.405  -7.027
  230    H    VAL  30           H        VAL  30   5.246  18.904 -10.262
  231    HA   VAL  30           HA       VAL  30   5.514  15.974  -9.881
  232    HB   VAL  30           HB       VAL  30   3.239  16.876 -10.557
  233   HG11  VAL  30          HG11      VAL  30   3.985  18.471 -12.309
  234   HG12  VAL  30          HG12      VAL  30   4.469  17.088 -13.317
  235   HG13  VAL  30          HG13      VAL  30   2.767  17.301 -12.869
  236   HG21  VAL  30          HG21      VAL  30   2.865  14.948 -12.070
  237   HG22  VAL  30          HG22      VAL  30   4.624  14.795 -12.297
  238   HG23  VAL  30          HG23      VAL  30   3.893  14.500 -10.699
  239    H    TRP  31           H        TRP  31   7.330  15.171 -10.563
  240    HA   TRP  31           HA       TRP  31   8.934  16.505 -12.629
  241    HB2  TRP  31           HB2      TRP  31   9.623  13.948 -11.181
  242    HB3  TRP  31           HB3      TRP  31  10.696  15.138 -11.884
  243    HD1  TRP  31           HD1      TRP  31   9.130  14.089  -8.668
  244    HE1  TRP  31           HE1      TRP  31   9.830  15.597  -6.762
  245    HE3  TRP  31           HE3      TRP  31  11.058  17.920 -11.372
  246    HZ2  TRP  31           HZ2      TRP  31  11.159  18.141  -6.405
  247    HZ3  TRP  31           HZ3      TRP  31  12.092  19.896 -10.216
  248    HH2  TRP  31           HH2      TRP  31  12.146  20.001  -7.744
  249    H    CYS  32           H        CYS  32   8.862  15.737 -14.746
  250    HA   CYS  32           HA       CYS  32   7.921  12.933 -15.215
  251    HB2  CYS  32           HB2      CYS  32   6.428  14.663 -16.212
  252    HB3  CYS  32           HB3      CYS  32   7.833  15.337 -17.086
  253    HG   CYS  32           HG       CYS  32   6.392  13.981 -18.781
  254    H    ASN  33           H        ASN  33   9.644  11.673 -15.622
  255    HA   ASN  33           HA       ASN  33  11.817  11.054 -15.840
  256    HB2  ASN  33           HB2      ASN  33  11.431  12.699 -18.358
  257    HB3  ASN  33           HB3      ASN  33  12.922  11.818 -18.035
  258   HD21  ASN  33          HD22      ASN  33  11.786  11.025 -20.295
  259   HD22  ASN  33          HD21      ASN  33  11.009   9.474 -20.086
  260    H    GLY  34           H        GLY  34  11.548  12.980 -13.927
  261    HA2  GLY  34           HA2      GLY  34  13.000  14.034 -12.507
  262    HA3  GLY  34           HA3      GLY  34  14.273  13.897 -13.720
  263    H    LYS  35           H        LYS  35  11.980  15.484 -15.498
  264    HA   LYS  35           HA       LYS  35  13.007  18.177 -14.695
  265    HB2  LYS  35           HB2      LYS  35  11.573  17.213 -17.212
  266    HB3  LYS  35           HB3      LYS  35  12.066  18.880 -16.893
  267    HG2  LYS  35           HG2      LYS  35  14.437  18.173 -16.764
  268    HG3  LYS  35           HG3      LYS  35  13.968  16.494 -17.091
  269    HD2  LYS  35           HD2      LYS  35  12.999  17.187 -19.269
  270    HD3  LYS  35           HD3      LYS  35  13.512  18.853 -18.986
  271    HE2  LYS  35           HE2      LYS  35  15.383  16.434 -19.148
  272    HE3  LYS  35           HE3      LYS  35  15.004  17.496 -20.504
  273    HZ1  LYS  35           HZ1      LYS  35  17.071  18.143 -19.486
  274    HZ2  LYS  35           HZ2      LYS  35  15.994  19.345 -19.260
  275    HZ3  LYS  35           HZ3      LYS  35  16.395  18.345 -18.019
  276    H    LYS  36           H        LYS  36  11.527  19.735 -13.834
  277    HA   LYS  36           HA       LYS  36   8.894  18.684 -13.193
  278    HB2  LYS  36           HB2      LYS  36   8.809  20.006 -11.520
  279    HB3  LYS  36           HB3      LYS  36  10.474  20.423 -11.805
  280    HG2  LYS  36           HG2      LYS  36   8.098  22.005 -12.879
  281    HG3  LYS  36           HG3      LYS  36   8.873  22.318 -11.348
  282    HD2  LYS  36           HD2      LYS  36  10.373  22.437 -14.004
  283    HD3  LYS  36           HD3      LYS  36   9.573  23.821 -13.248
  284    HE2  LYS  36           HE2      LYS  36  10.972  23.509 -11.204
  285    HE3  LYS  36           HE3      LYS  36  11.831  22.184 -11.994
  286    HZ1  LYS  36           HZ1      LYS  36  13.042  24.267 -12.196
  287    HZ2  LYS  36           HZ2      LYS  36  12.592  23.777 -13.685
  288    HZ3  LYS  36           HZ3      LYS  36  11.795  25.000 -12.941
  289    H    LEU  37           H        LEU  37   6.887  19.557 -13.930
  290    HA   LEU  37           HA       LEU  37   7.016  21.322 -16.263
  291    HB2  LEU  37           HB2      LEU  37   5.401  20.001 -17.523
  292    HB3  LEU  37           HB3      LEU  37   6.971  19.242 -17.296
  293    HG   LEU  37           HG       LEU  37   5.995  17.886 -15.437
  294   HD11  LEU  37          HD11      LEU  37   3.488  17.502 -15.544
  295   HD12  LEU  37          HD12      LEU  37   3.937  19.062 -14.868
  296   HD13  LEU  37          HD13      LEU  37   3.363  18.975 -16.542
  297   HD21  LEU  37          HD21      LEU  37   4.787  17.554 -18.220
  298   HD22  LEU  37          HD22      LEU  37   6.386  16.989 -17.697
  299   HD23  LEU  37          HD23      LEU  37   4.923  16.271 -16.993
  300    H    GLU  38           H        GLU  38   4.732  22.132 -16.794
  301    HA   GLU  38           HA       GLU  38   3.953  23.460 -14.400
  302    HB2  GLU  38           HB2      GLU  38   2.475  24.772 -15.791
  303    HB3  GLU  38           HB3      GLU  38   4.072  24.623 -16.529
  304    HG2  GLU  38           HG2      GLU  38   3.168  22.834 -18.051
  305    HG3  GLU  38           HG3      GLU  38   1.565  23.088 -17.349
  306    H    THR  39           H        THR  39   2.004  23.477 -13.317
  307    HA   THR  39           HA       THR  39   0.023  21.318 -13.795
  308    HB   THR  39           HB       THR  39   0.062  21.197 -11.182
  309    HG1  THR  39           HG1      THR  39   1.740  22.646 -10.745
  310   HG21  THR  39          HG21      THR  39   2.078  19.790 -12.971
  311   HG22  THR  39          HG22      THR  39   1.617  19.246 -11.342
  312   HG23  THR  39          HG23      THR  39   0.407  19.294 -12.637
  313    H    ALA  40           H        ALA  40  -2.042  21.778 -13.010
  314    HA   ALA  40           HA       ALA  40  -2.533  24.449 -11.784
  315    HB1  ALA  40           HB1      ALA  40  -3.240  24.621 -14.145
  316    HB2  ALA  40           HB2      ALA  40  -4.211  23.139 -13.971
  317    HB3  ALA  40           HB3      ALA  40  -4.644  24.602 -13.053
  318    H    GLY  41           H        GLY  41  -4.064  24.288 -10.065
  319    HA2  GLY  41           HA2      GLY  41  -4.595  21.477  -9.173
  320    HA3  GLY  41           HA3      GLY  41  -4.279  22.860  -8.114
  321    H    GLU  42           H        GLU  42  -6.679  21.152  -9.967
  322    HA   GLU  42           HA       GLU  42  -8.652  23.293  -9.665
  323    HB2  GLU  42           HB2      GLU  42  -8.462  22.070 -11.817
  324    HB3  GLU  42           HB3      GLU  42  -8.780  20.543 -10.971
  325    HG2  GLU  42           HG2      GLU  42 -10.719  21.332 -12.165
  326    HG3  GLU  42           HG3      GLU  42 -11.021  21.239 -10.428
  327    H    PHE  43           H        PHE  43 -10.618  22.825  -8.447
  328    HA   PHE  43           HA       PHE  43 -10.340  20.679  -6.383
  329    HB2  PHE  43           HB2      PHE  43 -11.236  23.553  -5.950
  330    HB3  PHE  43           HB3      PHE  43 -11.387  22.256  -4.780
  331    HD1  PHE  43           HD1      PHE  43  -8.996  24.509  -6.505
  332    HD2  PHE  43           HD2      PHE  43  -9.440  21.406  -3.543
  333    HE1  PHE  43           HE1      PHE  43  -6.730  25.009  -5.636
  334    HE2  PHE  43           HE2      PHE  43  -7.180  21.928  -2.657
  335    HZ   PHE  43           HZ       PHE  43  -5.815  23.728  -3.705
  336    H    VAL  44           H        VAL  44 -12.090  19.344  -6.387
  337    HA   VAL  44           HA       VAL  44 -14.641  20.302  -7.513
  338    HB   VAL  44           HB       VAL  44 -14.836  18.093  -8.485
  339   HG11  VAL  44          HG11      VAL  44 -12.276  19.405  -9.463
  340   HG12  VAL  44          HG12      VAL  44 -13.380  18.374 -10.389
  341   HG13  VAL  44          HG13      VAL  44 -13.927  19.967  -9.835
  342   HG21  VAL  44          HG21      VAL  44 -13.374  16.819  -6.996
  343   HG22  VAL  44          HG22      VAL  44 -13.035  16.511  -8.705
  344   HG23  VAL  44          HG23      VAL  44 -11.944  17.551  -7.772
  345    H    ASP  45           H        ASP  45 -16.337  18.493  -6.910
  346    HA   ASP  45           HA       ASP  45 -16.467  18.653  -4.015
  347    HB2  ASP  45           HB2      ASP  45 -18.325  19.422  -5.403
  348    HB3  ASP  45           HB3      ASP  45 -18.557  17.785  -6.025
  349    H    ASP  46           H        ASP  46 -14.518  16.988  -4.545
  350    HA   ASP  46           HA       ASP  46 -15.268  14.316  -3.649
  351    HB2  ASP  46           HB2      ASP  46 -15.827  14.142  -6.048
  352    HB3  ASP  46           HB3      ASP  46 -14.237  14.764  -6.479
  353    H    GLY  47           H        GLY  47 -12.799  16.630  -4.889
  354    HA2  GLY  47           HA2      GLY  47 -10.874  16.184  -2.948
  355    HA3  GLY  47           HA3      GLY  47 -10.537  15.031  -4.254
  356    H    THR  48           H        THR  48  -8.568  16.179  -4.670
  357    HA   THR  48           HA       THR  48  -8.896  18.761  -6.107
  358    HB   THR  48           HB       THR  48  -6.219  17.729  -5.266
  359    HG1  THR  48           HG1      THR  48  -8.061  18.953  -3.471
  360   HG21  THR  48          HG21      THR  48  -5.721  20.136  -4.958
  361   HG22  THR  48          HG22      THR  48  -6.241  19.732  -6.598
  362   HG23  THR  48          HG23      THR  48  -7.378  20.518  -5.485
  363    H    GLU  49           H        GLU  49  -7.874  18.853  -8.203
  364    HA   GLU  49           HA       GLU  49  -6.858  16.318  -9.278
  365    HB2  GLU  49           HB2      GLU  49  -8.932  18.078 -10.628
  366    HB3  GLU  49           HB3      GLU  49  -8.028  16.761 -11.420
  367    HG2  GLU  49           HG2      GLU  49  -8.890  15.178  -9.694
  368    HG3  GLU  49           HG3      GLU  49  -9.898  16.460  -9.019
  369    H    THR  50           H        THR  50  -4.757  16.821  -9.496
  370    HA   THR  50           HA       THR  50  -3.968  19.571 -10.258
  371    HB   THR  50           HB       THR  50  -2.401  17.148  -9.365
  372    HG1  THR  50           HG1      THR  50  -3.469  18.304  -7.718
  373   HG21  THR  50          HG21      THR  50  -1.417  19.817 -10.419
  374   HG22  THR  50          HG22      THR  50  -0.453  18.827  -9.284
  375   HG23  THR  50          HG23      THR  50  -0.894  18.179 -10.866
  376    H    HIS  51           H        HIS  51  -4.345  19.890 -12.402
  377    HA   HIS  51           HA       HIS  51  -4.210  17.665 -14.321
  378    HB2  HIS  51           HB2      HIS  51  -5.091  20.572 -14.548
  379    HB3  HIS  51           HB3      HIS  51  -5.031  19.460 -15.910
  380    HD1  HIS  51           HD1      HIS  51  -6.897  17.485 -15.965
  381    HD2  HIS  51           HD2      HIS  51  -7.204  20.336 -12.872
  382    HE1  HIS  51           HE1      HIS  51  -9.197  17.177 -14.915
  383    H    PHE  52           H        PHE  52  -2.805  17.555 -16.064
  384    HA   PHE  52           HA       PHE  52  -1.120  19.747 -16.852
  385    HB2  PHE  52           HB2      PHE  52   1.033  18.544 -16.601
  386    HB3  PHE  52           HB3      PHE  52   0.321  19.042 -15.096
  387    HD1  PHE  52           HD1      PHE  52  -0.771  17.365 -13.566
  388    HD2  PHE  52           HD2      PHE  52   1.570  16.209 -17.009
  389    HE1  PHE  52           HE1      PHE  52  -0.394  15.156 -12.556
  390    HE2  PHE  52           HE2      PHE  52   1.964  13.978 -15.951
  391    HZ   PHE  52           HZ       PHE  52   1.017  13.460 -13.732
  392    H    SER  53           H        SER  53   0.540  18.483 -18.638
  393    HA   SER  53           HA       SER  53  -0.898  16.411 -20.075
  394    HB2  SER  53           HB2      SER  53  -0.922  17.888 -22.188
  395    HB3  SER  53           HB3      SER  53  -2.181  18.154 -20.975
  396    HG   SER  53           HG       SER  53  -1.279  20.141 -21.697
  397    H    ILE  54           H        ILE  54   0.364  15.476 -21.748
  398    HA   ILE  54           HA       ILE  54   3.236  16.167 -21.909
  399    HB   ILE  54           HB       ILE  54   2.135  13.471 -20.979
  400   HG12  ILE  54          HG12      ILE  54   4.079  15.282 -19.486
  401   HG13  ILE  54          HG13      ILE  54   2.345  15.282 -19.181
  402   HG21  ILE  54          HG21      ILE  54   4.051  13.187 -22.549
  403   HG22  ILE  54          HG22      ILE  54   5.034  14.273 -21.551
  404   HG23  ILE  54          HG23      ILE  54   4.507  12.697 -20.931
  405   HD11  ILE  54          HD11      ILE  54   2.345  12.981 -18.487
  406   HD12  ILE  54          HD12      ILE  54   4.106  12.863 -18.783
  407   HD13  ILE  54          HD13      ILE  54   3.483  13.962 -17.544
  408    H    GLY  55           H        GLY  55   3.745  15.969 -24.097
  409    HA2  GLY  55           HA2      GLY  55   3.491  15.467 -26.333
  410    HA3  GLY  55           HA3      GLY  55   2.835  13.908 -25.816
  411    H    ASN  56           H        ASN  56   0.889  13.597 -26.778
  412    HA   ASN  56           HA       ASN  56  -1.004  15.857 -27.064
  413    HB2  ASN  56           HB2      ASN  56  -0.264  14.602 -29.135
  414    HB3  ASN  56           HB3      ASN  56  -1.073  13.176 -28.479
  415   HD21  ASN  56          HD22      ASN  56  -2.563  13.148 -30.316
  416   HD22  ASN  56          HD21      ASN  56  -3.834  14.337 -30.460
  417    H    HIS  57           H        HIS  57  -0.481  14.349 -24.516
  418    HA   HIS  57           HA       HIS  57  -3.146  13.079 -24.092
  419    HB2  HIS  57           HB2      HIS  57  -0.602  12.402 -22.590
  420    HB3  HIS  57           HB3      HIS  57  -2.125  11.530 -22.592
  421    HD1  HIS  57           HD1      HIS  57  -2.644  10.161 -25.038
  422    HD2  HIS  57           HD2      HIS  57   1.202  11.753 -24.376
  423    HE1  HIS  57           HE1      HIS  57  -1.106   9.083 -26.758
  424    H    ASP  58           H        ASP  58  -4.194  13.620 -22.133
  425    HA   ASP  58           HA       ASP  58  -2.925  15.757 -20.508
  426    HB2  ASP  58           HB2      ASP  58  -4.848  16.738 -20.005
  427    HB3  ASP  58           HB3      ASP  58  -5.197  16.264 -21.664
  428    H    CYS  59           H        CYS  59  -3.043  15.567 -18.263
  429    HA   CYS  59           HA       CYS  59  -3.516  12.847 -17.178
  430    HB2  CYS  59           HB2      CYS  59  -1.106  14.486 -16.403
  431    HB3  CYS  59           HB3      CYS  59  -1.424  12.771 -16.135
  432    HG   CYS  59           HG       CYS  59  -0.791  14.431 -18.897
  433    H    TYR  60           H        TYR  60  -4.056  12.936 -14.868
  434    HA   TYR  60           HA       TYR  60  -3.609  15.471 -13.600
  435    HB2  TYR  60           HB2      TYR  60  -5.808  15.879 -12.771
  436    HB3  TYR  60           HB3      TYR  60  -5.823  15.824 -14.522
  437    HD1  TYR  60           HD1      TYR  60  -6.510  13.602 -11.551
  438    HD2  TYR  60           HD2      TYR  60  -7.521  14.635 -15.603
  439    HE1  TYR  60           HE1      TYR  60  -8.448  12.073 -11.457
  440    HE2  TYR  60           HE2      TYR  60  -9.582  13.264 -15.448
  441    HH   TYR  60           HH       TYR  60 -10.853  11.788 -14.100
  442    H    ILE  61           H        ILE  61  -3.254  15.292 -11.389
  443    HA   ILE  61           HA       ILE  61  -3.222  12.498 -10.340
  444    HB   ILE  61           HB       ILE  61  -2.024  15.079  -9.342
  445   HG12  ILE  61          HG12      ILE  61  -0.603  12.434  -9.806
  446   HG13  ILE  61          HG13      ILE  61  -0.955  13.481 -11.170
  447   HG21  ILE  61          HG21      ILE  61  -2.934  13.882  -7.365
  448   HG22  ILE  61          HG22      ILE  61  -2.061  12.409  -7.850
  449   HG23  ILE  61          HG23      ILE  61  -1.188  13.888  -7.377
  450   HD11  ILE  61          HD11      ILE  61   0.264  15.355 -10.109
  451   HD12  ILE  61          HD12      ILE  61   0.667  14.296  -8.736
  452   HD13  ILE  61          HD13      ILE  61   1.287  13.916 -10.355
  453    H    LYS  62           H        LYS  62  -5.065  11.856  -9.412
  454    HA   LYS  62           HA       LYS  62  -7.086  13.802  -8.451
  455    HB2  LYS  62           HB2      LYS  62  -7.293  11.289  -9.664
  456    HB3  LYS  62           HB3      LYS  62  -7.394  10.851  -7.971
  457    HG2  LYS  62           HG2      LYS  62  -9.318  12.433  -7.699
  458    HG3  LYS  62           HG3      LYS  62  -9.165  12.891  -9.398
  459    HD2  LYS  62           HD2      LYS  62  -9.579  10.494 -10.078
  460    HD3  LYS  62           HD3      LYS  62  -9.750  10.081  -8.366
  461    HE2  LYS  62           HE2      LYS  62 -11.952  10.277  -9.112
  462    HE3  LYS  62           HE3      LYS  62 -11.653  11.779  -8.242
  463    HZ1  LYS  62           HZ1      LYS  62 -12.803  12.111 -10.371
  464    HZ2  LYS  62           HZ2      LYS  62 -11.385  12.909 -10.396
  465    HZ3  LYS  62           HZ3      LYS  62 -11.545  11.490 -11.216
  466    H    ALA  63           H        ALA  63  -6.902  14.463  -6.381
  467    HA   ALA  63           HA       ALA  63  -5.459  12.739  -4.437
  468    HB1  ALA  63           HB1      ALA  63  -5.704  15.770  -4.518
  469    HB2  ALA  63           HB2      ALA  63  -4.980  14.829  -3.212
  470    HB3  ALA  63           HB3      ALA  63  -4.221  14.817  -4.813
  471    H    VAL  64           H        VAL  64  -7.285  11.610  -3.836
  472    HA   VAL  64           HA       VAL  64  -9.851  12.956  -3.712
  473    HB   VAL  64           HB       VAL  64  -9.500  10.039  -2.999
  474   HG11  VAL  64          HG11      VAL  64 -11.736  11.126  -2.997
  475   HG12  VAL  64          HG12      VAL  64 -11.526  11.539  -4.712
  476   HG13  VAL  64          HG13      VAL  64 -11.636   9.844  -4.208
  477   HG21  VAL  64          HG21      VAL  64  -9.585   9.368  -5.390
  478   HG22  VAL  64          HG22      VAL  64  -9.250  11.047  -5.860
  479   HG23  VAL  64          HG23      VAL  64  -8.050  10.101  -4.932
  480    H    SER  65           H        SER  65 -10.676  13.704  -1.740
  481    HA   SER  65           HA       SER  65  -9.228  13.137   0.709
  482    HB2  SER  65           HB2      SER  65 -11.755  14.777   0.329
  483    HB3  SER  65           HB3      SER  65 -10.588  14.855   1.666
  484    HG   SER  65           HG       SER  65 -10.226  16.537   0.149
  485    H    SER  66           H        SER  66 -10.124  10.719  -0.169
  486    HA   SER  66           HA       SER  66 -12.767  10.014   0.460
  487    HB2  SER  66           HB2      SER  66 -10.250   8.301   0.239
  488    HB3  SER  66           HB3      SER  66 -11.929   7.701   0.157
  489    HG   SER  66           HG       SER  66 -11.239   8.028  -1.928
  490    H    GLY  67           H        GLY  67  -9.838   9.907   2.560
  491    HA2  GLY  67           HA2      GLY  67  -9.743   9.804   4.855
  492    HA3  GLY  67           HA3      GLY  67 -11.501   9.852   4.917
  493    H    LYS  68           H        LYS  68 -10.176   7.263   2.968
  494    HA   LYS  68           HA       LYS  68 -11.058   5.314   5.040
  495    HB2  LYS  68           HB2      LYS  68 -10.786   5.000   2.024
  496    HB3  LYS  68           HB3      LYS  68 -11.318   3.744   3.150
  497    HG2  LYS  68           HG2      LYS  68 -13.240   5.186   3.851
  498    HG3  LYS  68           HG3      LYS  68 -12.737   6.396   2.673
  499    HD2  LYS  68           HD2      LYS  68 -14.529   5.162   1.685
  500    HD3  LYS  68           HD3      LYS  68 -13.043   4.771   0.835
  501    HE2  LYS  68           HE2      LYS  68 -14.290   2.748   1.077
  502    HE3  LYS  68           HE3      LYS  68 -12.873   2.623   2.112
  503    HZ1  LYS  68           HZ1      LYS  68 -14.317   3.139   4.021
  504    HZ2  LYS  68           HZ2      LYS  68 -15.623   3.288   3.033
  505    HZ3  LYS  68           HZ3      LYS  68 -14.891   1.847   3.211
  506    H    ARG  69           H        ARG  69  -8.212   6.654   4.617
  507    HA   ARG  69           HA       ARG  69  -6.762   4.261   5.347
  508    HB2  ARG  69           HB2      ARG  69  -6.813   4.623   2.656
  509    HB3  ARG  69           HB3      ARG  69  -5.606   5.842   3.005
  510    HG2  ARG  69           HG2      ARG  69  -4.647   3.685   2.311
  511    HG3  ARG  69           HG3      ARG  69  -4.104   4.131   3.924
  512    HD2  ARG  69           HD2      ARG  69  -4.681   1.690   3.652
  513    HD3  ARG  69           HD3      ARG  69  -5.530   2.484   4.958
  514    HE   ARG  69           HE       ARG  69  -7.562   2.422   3.796
  515   HH11  ARG  69          HH11      ARG  69  -5.001   0.919   1.821
  516   HH12  ARG  69          HH12      ARG  69  -6.104   0.125   0.756
  517   HH21  ARG  69          HH21      ARG  69  -9.004   1.381   2.401
  518   HH22  ARG  69          HH22      ARG  69  -8.441   0.406   1.089
  519    H    LYS  70           H        LYS  70  -4.450   4.910   5.973
  520    HA   LYS  70           HA       LYS  70  -4.401   7.160   7.666
  521    HB2  LYS  70           HB2      LYS  70  -2.868   5.196   7.813
  522    HB3  LYS  70           HB3      LYS  70  -2.084   5.695   6.318
  523    HG2  LYS  70           HG2      LYS  70  -0.692   6.277   8.170
  524    HG3  LYS  70           HG3      LYS  70  -1.270   7.772   7.438
  525    HD2  LYS  70           HD2      LYS  70  -2.908   8.072   9.259
  526    HD3  LYS  70           HD3      LYS  70  -2.480   6.484   9.934
  527    HE2  LYS  70           HE2      LYS  70  -0.144   7.282  10.291
  528    HE3  LYS  70           HE3      LYS  70  -0.584   8.866   9.648
  529    HZ1  LYS  70           HZ1      LYS  70  -0.627   8.833  12.067
  530    HZ2  LYS  70           HZ2      LYS  70  -2.130   9.125  11.509
  531    HZ3  LYS  70           HZ3      LYS  70  -1.744   7.646  12.098
  532    H    GLU  71           H        GLU  71  -3.452   9.201   7.459
  533    HA   GLU  71           HA       GLU  71  -2.977  11.135   6.629
  534    HB2  GLU  71           HB2      GLU  71  -1.143   9.771   5.484
  535    HB3  GLU  71           HB3      GLU  71  -2.070   9.969   3.993
  536    HG2  GLU  71           HG2      GLU  71  -1.856  12.419   4.175
  537    HG3  GLU  71           HG3      GLU  71  -1.099  12.247   5.767
  538    H    GLY  72           H        GLY  72  -5.463   9.291   5.399
  539    HA2  GLY  72           HA2      GLY  72  -7.557   9.933   4.928
  540    HA3  GLY  72           HA3      GLY  72  -7.054  11.625   4.982
  541    H    ILE  73           H        ILE  73  -5.279  11.871   2.901
  542    HA   ILE  73           HA       ILE  73  -7.141  11.827   0.679
  543    HB   ILE  73           HB       ILE  73  -4.361  12.996   1.009
  544   HG12  ILE  73          HG12      ILE  73  -5.546  15.153   0.578
  545   HG13  ILE  73          HG13      ILE  73  -7.091  14.308   0.532
  546   HG21  ILE  73          HG21      ILE  73  -4.634  14.044  -1.192
  547   HG22  ILE  73          HG22      ILE  73  -4.575  12.294  -1.358
  548   HG23  ILE  73          HG23      ILE  73  -6.139  13.139  -1.465
  549   HD11  ILE  73          HD11      ILE  73  -6.946  13.815   2.885
  550   HD12  ILE  73          HD12      ILE  73  -5.239  14.362   2.939
  551   HD13  ILE  73          HD13      ILE  73  -6.559  15.525   2.663
  552    H    ILE  74           H        ILE  74  -7.005  10.497  -1.152
  553    HA   ILE  74           HA       ILE  74  -4.878   8.412  -1.248
  554    HB   ILE  74           HB       ILE  74  -7.551   8.568  -2.679
  555   HG12  ILE  74          HG12      ILE  74  -7.908   8.239  -0.296
  556   HG13  ILE  74          HG13      ILE  74  -8.322   6.794  -1.210
  557   HG21  ILE  74          HG21      ILE  74  -5.953   7.306  -3.997
  558   HG22  ILE  74          HG22      ILE  74  -5.457   6.352  -2.583
  559   HG23  ILE  74          HG23      ILE  74  -7.095   6.187  -3.248
  560   HD11  ILE  74          HD11      ILE  74  -6.209   5.715  -0.457
  561   HD12  ILE  74          HD12      ILE  74  -5.800   7.186   0.461
  562   HD13  ILE  74          HD13      ILE  74  -7.228   6.231   0.894
  563    H    HIS  75           H        HIS  75  -3.233   8.938  -2.756
  564    HA   HIS  75           HA       HIS  75  -3.865  10.997  -4.827
  565    HB2  HIS  75           HB2      HIS  75  -1.207   9.993  -3.763
  566    HB3  HIS  75           HB3      HIS  75  -1.389  10.990  -5.207
  567    HD1  HIS  75           HD1      HIS  75  -1.887  11.303  -1.378
  568    HD2  HIS  75           HD2      HIS  75  -1.801  13.576  -4.924
  569    HE1  HIS  75           HE1      HIS  75  -1.903  13.763  -0.677
  570    H    THR  76           H        THR  76  -4.189  10.298  -6.868
  571    HA   THR  76           HA       THR  76  -2.906   7.786  -7.779
  572    HB   THR  76           HB       THR  76  -5.731   8.531  -8.610
  573    HG1  THR  76           HG1      THR  76  -6.527   7.130  -7.027
  574   HG21  THR  76          HG21      THR  76  -4.049   5.985  -8.701
  575   HG22  THR  76          HG22      THR  76  -5.788   6.041  -9.034
  576   HG23  THR  76          HG23      THR  76  -4.659   6.958 -10.060
  577    H    LEU  77           H        LEU  77  -2.248   7.881  -9.997
  578    HA   LEU  77           HA       LEU  77  -2.536  10.541 -11.288
  579    HB2  LEU  77           HB2      LEU  77  -0.275   9.679 -11.218
  580    HB3  LEU  77           HB3      LEU  77  -0.800   8.128 -11.887
  581    HG   LEU  77           HG       LEU  77  -1.466   9.304 -14.000
  582   HD11  LEU  77          HD11      LEU  77  -0.522  11.589 -14.397
  583   HD12  LEU  77          HD12      LEU  77  -1.820  11.607 -13.208
  584   HD13  LEU  77          HD13      LEU  77  -0.129  11.698 -12.659
  585   HD21  LEU  77          HD21      LEU  77   0.681   8.187 -13.820
  586   HD22  LEU  77          HD22      LEU  77   0.850   9.666 -14.783
  587   HD23  LEU  77          HD23      LEU  77   1.416   9.645 -13.099
  588    H    ILE  78           H        ILE  78  -4.019  10.799 -12.863
  589    HA   ILE  78           HA       ILE  78  -5.141   8.420 -14.176
  590    HB   ILE  78           HB       ILE  78  -6.337  11.030 -13.290
  591   HG12  ILE  78          HG12      ILE  78  -8.323   9.649 -12.799
  592   HG13  ILE  78          HG13      ILE  78  -7.521   8.220 -13.454
  593   HG21  ILE  78          HG21      ILE  78  -6.807  11.293 -15.560
  594   HG22  ILE  78          HG22      ILE  78  -7.201   9.550 -15.784
  595   HG23  ILE  78          HG23      ILE  78  -8.281  10.613 -14.866
  596   HD11  ILE  78          HD11      ILE  78  -7.580   8.476 -10.930
  597   HD12  ILE  78          HD12      ILE  78  -5.986   8.173 -11.631
  598   HD13  ILE  78          HD13      ILE  78  -6.431   9.830 -11.123
  599    H    VAL  79           H        VAL  79  -5.024   8.510 -16.507
  600    HA   VAL  79           HA       VAL  79  -4.008  10.932 -17.791
  601    HB   VAL  79           HB       VAL  79  -2.809   8.182 -18.231
  602   HG11  VAL  79          HG11      VAL  79  -1.169   9.361 -19.678
  603   HG12  VAL  79          HG12      VAL  79  -2.812   9.517 -20.304
  604   HG13  VAL  79          HG13      VAL  79  -2.060  10.879 -19.450
  605   HG21  VAL  79          HG21      VAL  79  -1.662  10.631 -16.843
  606   HG22  VAL  79          HG22      VAL  79  -1.993   9.033 -16.134
  607   HG23  VAL  79          HG23      VAL  79  -0.712   9.228 -17.337
  608    H    ASP  80           H        ASP  80  -5.100  11.295 -19.699
  609    HA   ASP  80           HA       ASP  80  -6.895  11.166 -21.062
  610    HB2  ASP  80           HB2      ASP  80  -5.206   9.856 -22.282
  611    HB3  ASP  80           HB3      ASP  80  -5.835   8.372 -21.565
  612    H    ASN  81           H        ASN  81  -7.571  10.750 -18.426
  613    HA   ASN  81           HA       ASN  81  -9.160  10.165 -17.016
  614    HB2  ASN  81           HB2      ASN  81 -10.610  10.975 -18.916
  615    HB3  ASN  81           HB3      ASN  81 -10.902   9.278 -19.307
  616   HD21  ASN  81          HD21      ASN  81 -13.132   9.185 -18.734
  617   HD22  ASN  81          HD22      ASN  81 -13.709   9.485 -17.111
  618    H    ARG  82           H        ARG  82  -7.298   7.832 -18.255
  619    HA   ARG  82           HA       ARG  82  -8.701   5.591 -16.952
  620    HB2  ARG  82           HB2      ARG  82  -6.226   5.802 -18.746
  621    HB3  ARG  82           HB3      ARG  82  -6.566   4.382 -17.763
  622    HG2  ARG  82           HG2      ARG  82  -7.464   3.891 -19.843
  623    HG3  ARG  82           HG3      ARG  82  -8.832   4.271 -18.760
  624    HD2  ARG  82           HD2      ARG  82  -9.138   6.415 -19.814
  625    HD3  ARG  82           HD3      ARG  82  -7.663   6.208 -20.795
  626    HE   ARG  82           HE       ARG  82  -9.319   4.041 -21.392
  627   HH11  ARG  82          HH21      ARG  82  -9.463   7.579 -21.683
  628   HH12  ARG  82          HH22      ARG  82 -10.587   7.571 -23.005
  629   HH21  ARG  82          HH11      ARG  82 -10.797   4.018 -23.174
  630   HH22  ARG  82          HH12      ARG  82 -11.348   5.492 -23.880
  631    H    GLU  83           H        GLU  83  -7.667   4.469 -15.263
  632    HA   GLU  83           HA       GLU  83  -6.200   6.277 -13.497
  633    HB2  GLU  83           HB2      GLU  83  -8.202   5.295 -12.648
  634    HB3  GLU  83           HB3      GLU  83  -7.641   3.649 -13.027
  635    HG2  GLU  83           HG2      GLU  83  -5.810   3.908 -11.376
  636    HG3  GLU  83           HG3      GLU  83  -6.332   5.573 -11.091
  637    H    ILE  84           H        ILE  84  -4.105   5.959 -12.807
  638    HA   ILE  84           HA       ILE  84  -2.575   3.713 -13.987
  639    HB   ILE  84           HB       ILE  84  -1.639   6.534 -13.352
  640   HG12  ILE  84          HG12      ILE  84  -3.147   6.731 -15.202
  641   HG13  ILE  84          HG13      ILE  84  -1.494   6.947 -15.713
  642   HG21  ILE  84          HG21      ILE  84   0.177   4.952 -13.158
  643   HG22  ILE  84          HG22      ILE  84  -0.203   4.255 -14.748
  644   HG23  ILE  84          HG23      ILE  84   0.376   5.928 -14.619
  645   HD11  ILE  84          HD11      ILE  84  -2.781   5.659 -17.354
  646   HD12  ILE  84          HD12      ILE  84  -1.466   4.669 -16.696
  647   HD13  ILE  84          HD13      ILE  84  -3.138   4.422 -16.139
  648    HA   PRO  85           HA       PRO  85  -2.157   3.057  -9.497
  649    HB2  PRO  85           HB2      PRO  85  -1.153   0.524  -9.506
  650    HB3  PRO  85           HB3      PRO  85  -2.866   0.878  -9.882
  651    HG2  PRO  85           HG2      PRO  85  -0.583   0.426 -11.826
  652    HG3  PRO  85           HG3      PRO  85  -2.219  -0.304 -11.850
  653    HD2  PRO  85           HD2      PRO  85  -1.557   1.889 -13.355
  654    HD3  PRO  85           HD3      PRO  85  -3.200   1.678 -12.664
  655    H    GLU  86           H        GLU  86  -0.395   3.103  -8.018
  656    HA   GLU  86           HA       GLU  86   2.071   4.279  -8.802
  657    HB2  GLU  86           HB2      GLU  86   0.859   3.140  -6.320
  658    HB3  GLU  86           HB3      GLU  86   2.621   3.078  -6.391
  659    HG2  GLU  86           HG2      GLU  86   2.705   5.466  -6.997
  660    HG3  GLU  86           HG3      GLU  86   0.950   5.581  -6.751
  661    H    ILE  87           H        ILE  87   4.192   3.409  -8.689
  662    HA   ILE  87           HA       ILE  87   4.505   0.800  -9.881
  663    HB   ILE  87           HB       ILE  87   6.915   1.213  -9.579
  664   HG12  ILE  87          HG12      ILE  87   6.275   3.879  -8.369
  665   HG13  ILE  87          HG13      ILE  87   6.835   2.482  -7.451
  666   HG21  ILE  87          HG21      ILE  87   5.582   1.971 -11.531
  667   HG22  ILE  87          HG22      ILE  87   5.524   3.598 -10.799
  668   HG23  ILE  87          HG23      ILE  87   7.079   2.856 -11.266
  669   HD11  ILE  87          HD11      ILE  87   8.391   3.789  -9.722
  670   HD12  ILE  87          HD12      ILE  87   8.754   3.890  -7.986
  671   HD13  ILE  87          HD13      ILE  87   8.887   2.337  -8.830
  672    H    ALA  88           H        ALA  88   5.762  -0.937  -9.044
  673    HA   ALA  88           HA       ALA  88   6.125  -1.134  -6.135
  674    HB1  ALA  88           HB1      ALA  88   3.971  -2.257  -6.466
  675    HB2  ALA  88           HB2      ALA  88   4.654  -3.234  -7.792
  676    HB3  ALA  88           HB3      ALA  88   5.248  -3.449  -6.134
  677    H    SER  89           H        SER  89   8.314  -1.061  -6.324
  678    HA   SER  89           HA       SER  89   9.827  -2.331  -8.378
  679    HB2  SER  89           HB2      SER  89  10.758  -1.579  -5.575
  680    HB3  SER  89           HB3      SER  89  11.761  -1.775  -7.018
  681    HG   SER  89           HG       SER  89  11.301   0.459  -6.589
  Start of MODEL   18
    1    H1   GLU   1           H1       GLU   1   9.018  13.290  17.592
    2    H2   GLU   1           H2       GLU   1   7.624  12.409  17.611
    3    H3   GLU   1           H3       GLU   1   9.010  11.768  17.011
    4    HA   GLU   1           HA       GLU   1   7.555  12.371  15.206
    5    HB2  GLU   1           HB2      GLU   1   7.840  15.180  16.374
    6    HB3  GLU   1           HB3      GLU   1   7.218  14.821  14.760
    7    HG2  GLU   1           HG2      GLU   1   5.394  13.459  15.757
    8    HG3  GLU   1           HG3      GLU   1   5.961  13.891  17.372
    9    H    ASP   2           H        ASP   2   8.467  13.187  13.144
   10    HA   ASP   2           HA       ASP   2  11.195  14.230  13.145
   11    HB2  ASP   2           HB2      ASP   2  11.377  11.667  13.287
   12    HB3  ASP   2           HB3      ASP   2  10.547  11.630  11.723
   13    H    ARG   3           H        ARG   3  11.806  14.685  10.809
   14    HA   ARG   3           HA       ARG   3   9.437  15.603   9.304
   15    HB2  ARG   3           HB2      ARG   3  11.492  17.077   9.658
   16    HB3  ARG   3           HB3      ARG   3  12.391  15.954   8.644
   17    HG2  ARG   3           HG2      ARG   3  11.773  17.717   7.223
   18    HG3  ARG   3           HG3      ARG   3  10.661  16.408   6.803
   19    HD2  ARG   3           HD2      ARG   3   8.846  17.487   8.040
   20    HD3  ARG   3           HD3      ARG   3   9.967  18.651   8.742
   21    HE   ARG   3           HE       ARG   3  10.098  19.852   6.794
   22   HH11  ARG   3          HH11      ARG   3   7.995  17.011   6.192
   23   HH12  ARG   3          HH12      ARG   3   7.305  17.715   4.755
   24   HH21  ARG   3          HH22      ARG   3   9.218  20.654   4.809
   25   HH22  ARG   3          HH21      ARG   3   8.081  19.696   3.912
   26    H    SER   4           H        SER   4   8.565  14.354   7.735
   27    HA   SER   4           HA       SER   4  10.246  12.423   6.240
   28    HB2  SER   4           HB2      SER   4   7.524  11.770   7.449
   29    HB3  SER   4           HB3      SER   4   8.542  10.699   6.474
   30    HG   SER   4           HG       SER   4   8.732  10.302   8.747
   31    H    LYS   5           H        LYS   5   9.395  11.923   4.156
   32    HA   LYS   5           HA       LYS   5   6.865  12.955   3.268
   33    HB2  LYS   5           HB2      LYS   5   7.770  14.191   1.308
   34    HB3  LYS   5           HB3      LYS   5   8.041  15.006   2.855
   35    HG2  LYS   5           HG2      LYS   5  10.423  14.216   2.833
   36    HG3  LYS   5           HG3      LYS   5  10.120  13.428   1.267
   37    HD2  LYS   5           HD2      LYS   5   9.441  15.655   0.344
   38    HD3  LYS   5           HD3      LYS   5   9.895  16.407   1.888
   39    HE2  LYS   5           HE2      LYS   5  12.231  15.670   1.591
   40    HE3  LYS   5           HE3      LYS   5  11.790  14.775   0.130
   41    HZ1  LYS   5           HZ1      LYS   5  11.144  16.878  -0.901
   42    HZ2  LYS   5           HZ2      LYS   5  11.656  17.720   0.420
   43    HZ3  LYS   5           HZ3      LYS   5  12.735  16.882  -0.479
   44    H    THR   6           H        THR   6   6.424  12.191   1.030
   45    HA   THR   6           HA       THR   6   8.107   9.970   0.099
   46    HB   THR   6           HB       THR   6   5.192   9.650   0.807
   47    HG1  THR   6           HG1      THR   6   5.939   8.284   2.376
   48   HG21  THR   6          HG21      THR   6   7.158   7.668  -0.428
   49   HG22  THR   6          HG22      THR   6   5.578   7.232   0.253
   50   HG23  THR   6          HG23      THR   6   5.657   8.277  -1.167
   51    H    THR   7           H        THR   7   7.723   9.418  -2.127
   52    HA   THR   7           HA       THR   7   6.317  11.484  -3.724
   53    HB   THR   7           HB       THR   7   8.316  10.939  -5.377
   54    HG1  THR   7           HG1      THR   7  10.209  10.356  -4.367
   55   HG21  THR   7          HG21      THR   7   8.316  12.842  -3.023
   56   HG22  THR   7          HG22      THR   7   9.762  12.721  -4.061
   57   HG23  THR   7          HG23      THR   7   8.212  13.165  -4.766
   58    H    ASN   8           H        ASN   8   5.704  10.711  -5.888
   59    HA   ASN   8           HA       ASN   8   5.382   7.739  -6.213
   60    HB2  ASN   8           HB2      ASN   8   3.252   9.836  -6.758
   61    HB3  ASN   8           HB3      ASN   8   3.134   8.109  -7.073
   62   HD21  ASN   8          HD22      ASN   8   2.851   6.618  -5.181
   63   HD22  ASN   8          HD21      ASN   8   2.365   7.288  -3.642
   64    H    THR   9           H        THR   9   6.059   7.138  -8.237
   65    HA   THR   9           HA       THR   9   6.605   9.351 -10.143
   66    HB   THR   9           HB       THR   9   8.402   6.981  -9.577
   67    HG1  THR   9           HG1      THR   9   8.797   8.367  -7.989
   68   HG21  THR   9          HG21      THR   9   8.675   9.203 -11.628
   69   HG22  THR   9          HG22      THR   9  10.010   8.163 -11.085
   70   HG23  THR   9          HG23      THR   9   8.605   7.467 -11.911
   71    H    TRP  10           H        TRP  10   6.150   8.998 -12.242
   72    HA   TRP  10           HA       TRP  10   5.145   6.339 -13.125
   73    HB2  TRP  10           HB2      TRP  10   3.833   9.053 -13.625
   74    HB3  TRP  10           HB3      TRP  10   3.331   7.527 -14.335
   75    HD1  TRP  10           HD1      TRP  10   1.988   5.867 -12.826
   76    HE1  TRP  10           HE1      TRP  10   0.680   6.092 -10.643
   77    HE3  TRP  10           HE3      TRP  10   3.801  10.362 -11.372
   78    HZ2  TRP  10           HZ2      TRP  10   0.295   8.170  -8.606
   79    HZ3  TRP  10           HZ3      TRP  10   2.850  11.544  -9.418
   80    HH2  TRP  10           HH2      TRP  10   1.082  10.465  -8.027
   81    H    VAL  11           H        VAL  11   5.517   6.035 -15.388
   82    HA   VAL  11           HA       VAL  11   6.994   8.190 -16.712
   83    HB   VAL  11           HB       VAL  11   8.493   6.350 -16.214
   84   HG11  VAL  11          HG11      VAL  11   6.784   4.638 -18.054
   85   HG12  VAL  11          HG12      VAL  11   8.332   4.182 -17.316
   86   HG13  VAL  11          HG13      VAL  11   6.909   4.453 -16.295
   87   HG21  VAL  11          HG21      VAL  11   7.947   6.652 -19.216
   88   HG22  VAL  11          HG22      VAL  11   8.861   7.797 -18.215
   89   HG23  VAL  11          HG23      VAL  11   9.471   6.152 -18.463
   90    H    LEU  12           H        LEU  12   6.303   8.791 -18.708
   91    HA   LEU  12           HA       LEU  12   3.993   7.325 -19.912
   92    HB2  LEU  12           HB2      LEU  12   4.582  10.309 -20.076
   93    HB3  LEU  12           HB3      LEU  12   3.212   9.458 -20.789
   94    HG   LEU  12           HG       LEU  12   3.674   9.792 -17.805
   95   HD11  LEU  12          HD11      LEU  12   3.184  11.921 -19.006
   96   HD12  LEU  12          HD12      LEU  12   1.725  11.185 -19.689
   97   HD13  LEU  12          HD13      LEU  12   1.861  11.438 -17.939
   98   HD21  LEU  12          HD21      LEU  12   1.394   8.917 -17.630
   99   HD22  LEU  12          HD22      LEU  12   1.309   8.697 -19.404
  100   HD23  LEU  12          HD23      LEU  12   2.418   7.725 -18.433
  101    H    HIS  13           H        HIS  13   4.396   6.705 -21.967
  102    HA   HIS  13           HA       HIS  13   6.765   7.839 -23.316
  103    HB2  HIS  13           HB2      HIS  13   6.967   5.425 -22.973
  104    HB3  HIS  13           HB3      HIS  13   5.401   5.156 -23.736
  105    HD1  HIS  13           HD1      HIS  13   8.030   7.506 -25.353
  106    HD2  HIS  13           HD2      HIS  13   6.380   3.638 -25.687
  107    HE1  HIS  13           HE1      HIS  13   8.919   6.525 -27.536
  108    H    MET  14           H        MET  14   6.097   9.437 -24.736
  109    HA   MET  14           HA       MET  14   3.627   9.130 -26.251
  110    HB2  MET  14           HB2      MET  14   4.055  11.528 -24.420
  111    HB3  MET  14           HB3      MET  14   2.738  11.318 -25.570
  112    HG2  MET  14           HG2      MET  14   2.008   9.287 -24.280
  113    HG3  MET  14           HG3      MET  14   3.247   9.658 -23.082
  114    HE1  MET  14           HE1      MET  14   1.839  13.121 -21.656
  115    HE2  MET  14           HE2      MET  14   3.272  12.074 -21.751
  116    HE3  MET  14           HE3      MET  14   2.799  13.070 -23.149
  117    H    ASP  15           H        ASP  15   3.723  10.273 -28.188
  118    HA   ASP  15           HA       ASP  15   4.742  11.115 -29.995
  119    HB2  ASP  15           HB2      ASP  15   3.969  13.123 -28.791
  120    HB3  ASP  15           HB3      ASP  15   5.576  13.313 -28.088
  121    H    GLY  16           H        GLY  16   6.281   9.111 -28.801
  122    HA2  GLY  16           HA2      GLY  16   8.283   8.079 -29.246
  123    HA3  GLY  16           HA3      GLY  16   8.852   9.542 -30.053
  124    H    GLU  17           H        GLU  17   7.962  10.837 -27.192
  125    HA   GLU  17           HA       GLU  17  10.636  10.643 -26.061
  126    HB2  GLU  17           HB2      GLU  17   8.551  12.676 -26.235
  127    HB3  GLU  17           HB3      GLU  17   8.989  12.429 -24.548
  128    HG2  GLU  17           HG2      GLU  17  11.069  12.852 -26.720
  129    HG3  GLU  17           HG3      GLU  17  10.293  14.182 -25.860
  130    H    ASN  18           H        ASN  18  10.735  10.665 -23.627
  131    HA   ASN  18           HA       ASN  18   8.656   9.011 -22.339
  132    HB2  ASN  18           HB2      ASN  18  11.615   8.495 -22.306
  133    HB3  ASN  18           HB3      ASN  18  10.692   8.267 -20.822
  134   HD21  ASN  18          HD22      ASN  18  10.854   7.182 -24.256
  135   HD22  ASN  18          HD21      ASN  18   9.935   5.718 -23.987
  136    H    PHE  19           H        PHE  19   7.837   9.975 -20.655
  137    HA   PHE  19           HA       PHE  19   9.226  12.344 -19.465
  138    HB2  PHE  19           HB2      PHE  19   6.250  11.823 -19.729
  139    HB3  PHE  19           HB3      PHE  19   7.001  13.228 -19.010
  140    HD1  PHE  19           HD2      PHE  19   8.156  14.930 -20.417
  141    HD2  PHE  19           HD1      PHE  19   6.086  11.566 -22.165
  142    HE1  PHE  19           HE2      PHE  19   8.158  16.068 -22.626
  143    HE2  PHE  19           HE1      PHE  19   6.089  12.720 -24.367
  144    HZ   PHE  19           HZ       PHE  19   7.128  14.961 -24.599
  145    H    ARG  20           H        ARG  20   9.956  11.830 -17.426
  146    HA   ARG  20           HA       ARG  20   8.431   9.900 -15.789
  147    HB2  ARG  20           HB2      ARG  20  11.214  11.028 -15.538
  148    HB3  ARG  20           HB3      ARG  20  10.332  10.383 -14.144
  149    HG2  ARG  20           HG2      ARG  20   9.792   8.409 -15.968
  150    HG3  ARG  20           HG3      ARG  20  11.401   8.927 -16.537
  151    HD2  ARG  20           HD2      ARG  20  12.201   8.641 -14.160
  152    HD3  ARG  20           HD3      ARG  20  10.548   8.085 -13.751
  153    HE   ARG  20           HE       ARG  20  11.477   6.495 -15.888
  154   HH11  ARG  20          HH11      ARG  20  12.458   7.041 -12.509
  155   HH12  ARG  20          HH12      ARG  20  13.093   5.450 -12.294
  156   HH21  ARG  20          HH21      ARG  20  12.329   4.380 -15.599
  157   HH22  ARG  20          HH22      ARG  20  13.020   3.911 -14.090
  158    H    ILE  21           H        ILE  21   6.904  10.604 -14.622
  159    HA   ILE  21           HA       ILE  21   6.727  13.430 -13.837
  160    HB   ILE  21           HB       ILE  21   4.733  11.135 -13.928
  161   HG12  ILE  21          HG12      ILE  21   3.455  12.384 -15.457
  162   HG13  ILE  21          HG13      ILE  21   4.376  13.873 -15.175
  163   HG21  ILE  21          HG21      ILE  21   2.994  12.573 -13.004
  164   HG22  ILE  21          HG22      ILE  21   4.289  12.479 -11.816
  165   HG23  ILE  21          HG23      ILE  21   4.149  13.916 -12.838
  166   HD11  ILE  21          HD11      ILE  21   6.226  13.071 -16.437
  167   HD12  ILE  21          HD12      ILE  21   5.496  11.430 -16.570
  168   HD13  ILE  21          HD13      ILE  21   4.767  12.809 -17.393
  169    H    VAL  22           H        VAL  22   7.089  13.871 -11.641
  170    HA   VAL  22           HA       VAL  22   6.896  11.631  -9.762
  171    HB   VAL  22           HB       VAL  22   9.044  13.760  -9.617
  172   HG11  VAL  22          HG11      VAL  22   8.310  12.943  -7.394
  173   HG12  VAL  22          HG12      VAL  22   8.554  11.261  -7.927
  174   HG13  VAL  22          HG13      VAL  22   9.939  12.361  -7.764
  175   HG21  VAL  22          HG21      VAL  22  10.679  11.966 -10.054
  176   HG22  VAL  22          HG22      VAL  22   9.352  10.823 -10.316
  177   HG23  VAL  22          HG23      VAL  22   9.594  12.190 -11.430
  178    H    LEU  23           H        LEU  23   5.381  12.081  -8.314
  179    HA   LEU  23           HA       LEU  23   4.469  14.884  -7.857
  180    HB2  LEU  23           HB2      LEU  23   2.675  13.356  -8.110
  181    HB3  LEU  23           HB3      LEU  23   3.469  12.125  -7.125
  182    HG   LEU  23           HG       LEU  23   3.175  13.553  -5.070
  183   HD11  LEU  23          HD11      LEU  23   1.503  15.295  -6.932
  184   HD12  LEU  23          HD12      LEU  23   1.473  15.351  -5.153
  185   HD13  LEU  23          HD13      LEU  23   2.951  15.787  -6.021
  186   HD21  LEU  23          HD21      LEU  23   0.645  12.813  -6.557
  187   HD22  LEU  23          HD22      LEU  23   1.648  11.738  -5.558
  188   HD23  LEU  23          HD23      LEU  23   0.806  13.089  -4.801
  189    H    GLU  24           H        GLU  24   5.511  16.011  -6.287
  190    HA   GLU  24           HA       GLU  24   6.891  14.654  -4.079
  191    HB2  GLU  24           HB2      GLU  24   7.218  17.074  -5.598
  192    HB3  GLU  24           HB3      GLU  24   6.753  17.585  -3.976
  193    HG2  GLU  24           HG2      GLU  24   8.923  15.577  -4.612
  194    HG3  GLU  24           HG3      GLU  24   9.202  17.312  -4.470
  195    H    LYS  25           H        LYS  25   5.551  13.957  -2.422
  196    HA   LYS  25           HA       LYS  25   2.805  14.805  -2.362
  197    HB2  LYS  25           HB2      LYS  25   4.403  13.314  -0.293
  198    HB3  LYS  25           HB3      LYS  25   2.670  13.632  -0.209
  199    HG2  LYS  25           HG2      LYS  25   2.214  12.384  -2.242
  200    HG3  LYS  25           HG3      LYS  25   3.944  12.165  -2.554
  201    HD2  LYS  25           HD2      LYS  25   3.113  10.136  -1.597
  202    HD3  LYS  25           HD3      LYS  25   4.175  10.936  -0.429
  203    HE2  LYS  25           HE2      LYS  25   2.171  11.819   0.791
  204    HE3  LYS  25           HE3      LYS  25   1.103  11.119  -0.426
  205    HZ1  LYS  25           HZ1      LYS  25   2.784   9.572   1.486
  206    HZ2  LYS  25           HZ2      LYS  25   1.173   9.770   1.558
  207    HZ3  LYS  25           HZ3      LYS  25   1.824   8.901   0.328
  208    H    ASP  26           H        ASP  26   5.727  16.014  -0.765
  209    HA   ASP  26           HA       ASP  26   4.538  17.027   1.577
  210    HB2  ASP  26           HB2      ASP  26   6.983  16.625   1.148
  211    HB3  ASP  26           HB3      ASP  26   7.012  18.115   0.191
  212    H    ALA  27           H        ALA  27   4.840  18.478  -1.628
  213    HA   ALA  27           HA       ALA  27   3.313  20.825  -0.724
  214    HB1  ALA  27           HB1      ALA  27   4.468  22.123  -2.463
  215    HB2  ALA  27           HB2      ALA  27   5.638  21.402  -1.342
  216    HB3  ALA  27           HB3      ALA  27   5.386  20.680  -2.947
  217    H    MET  28           H        MET  28   3.055  17.980  -2.498
  218    HA   MET  28           HA       MET  28   1.917  17.200  -4.173
  219    HB2  MET  28           HB2      MET  28  -0.155  19.339  -3.586
  220    HB3  MET  28           HB3      MET  28  -0.371  17.917  -4.619
  221    HG2  MET  28           HG2      MET  28   0.287  16.488  -2.602
  222    HG3  MET  28           HG3      MET  28   0.165  17.955  -1.636
  223    HE1  MET  28           HE1      MET  28  -2.049  16.258  -4.556
  224    HE2  MET  28           HE2      MET  28  -1.615  15.018  -3.356
  225    HE3  MET  28           HE3      MET  28  -3.304  15.538  -3.521
  226    H    ASP  29           H        ASP  29   4.055  18.694  -4.838
  227    HA   ASP  29           HA       ASP  29   3.315  20.364  -7.164
  228    HB2  ASP  29           HB2      ASP  29   5.027  21.173  -5.449
  229    HB3  ASP  29           HB3      ASP  29   6.094  19.892  -6.047
  230    H    VAL  30           H        VAL  30   4.132  19.743  -9.277
  231    HA   VAL  30           HA       VAL  30   4.809  16.859  -9.412
  232    HB   VAL  30           HB       VAL  30   2.406  17.558  -9.940
  233   HG11  VAL  30          HG11      VAL  30   1.837  18.210 -12.150
  234   HG12  VAL  30          HG12      VAL  30   2.948  19.445 -11.504
  235   HG13  VAL  30          HG13      VAL  30   3.532  18.230 -12.666
  236   HG21  VAL  30          HG21      VAL  30   3.365  15.336 -10.362
  237   HG22  VAL  30          HG22      VAL  30   2.342  15.803 -11.733
  238   HG23  VAL  30          HG23      VAL  30   4.117  15.919 -11.861
  239    H    TRP  31           H        TRP  31   6.761  16.554 -10.042
  240    HA   TRP  31           HA       TRP  31   8.196  18.372 -11.829
  241    HB2  TRP  31           HB2      TRP  31   9.013  15.615 -10.861
  242    HB3  TRP  31           HB3      TRP  31  10.049  16.917 -11.384
  243    HD1  TRP  31           HD1      TRP  31   8.542  15.397  -8.292
  244    HE1  TRP  31           HE1      TRP  31   9.349  16.611  -6.227
  245    HE3  TRP  31           HE3      TRP  31  10.419  19.524 -10.521
  246    HZ2  TRP  31           HZ2      TRP  31  10.807  19.044  -5.587
  247    HZ3  TRP  31           HZ3      TRP  31  11.611  21.282  -9.171
  248    HH2  TRP  31           HH2      TRP  31  11.799  21.042  -6.714
  249    H    CYS  32           H        CYS  32   8.328  17.933 -14.067
  250    HA   CYS  32           HA       CYS  32   7.766  15.149 -15.011
  251    HB2  CYS  32           HB2      CYS  32   5.758  16.410 -15.476
  252    HB3  CYS  32           HB3      CYS  32   6.707  17.739 -16.203
  253    HG   CYS  32           HG       CYS  32   7.539  16.539 -18.258
  254    H    ASN  33           H        ASN  33   9.709  14.502 -15.717
  255    HA   ASN  33           HA       ASN  33  11.932  14.563 -16.189
  256    HB2  ASN  33           HB2      ASN  33  10.835  16.224 -18.479
  257    HB3  ASN  33           HB3      ASN  33  12.540  15.793 -18.361
  258   HD21  ASN  33          HD22      ASN  33  11.472  14.841 -20.618
  259   HD22  ASN  33          HD21      ASN  33  11.147  13.125 -20.481
  260    H    GLY  34           H        GLY  34  11.395  16.084 -14.048
  261    HA2  GLY  34           HA2      GLY  34  12.617  17.392 -12.626
  262    HA3  GLY  34           HA3      GLY  34  13.711  17.792 -13.948
  263    H    LYS  35           H        LYS  35  10.928  18.773 -15.368
  264    HA   LYS  35           HA       LYS  35  11.209  21.556 -14.385
  265    HB2  LYS  35           HB2      LYS  35   9.436  20.402 -16.588
  266    HB3  LYS  35           HB3      LYS  35   9.706  22.107 -16.253
  267    HG2  LYS  35           HG2      LYS  35  11.777  20.113 -17.283
  268    HG3  LYS  35           HG3      LYS  35  10.966  21.372 -18.204
  269    HD2  LYS  35           HD2      LYS  35  12.044  23.110 -16.752
  270    HD3  LYS  35           HD3      LYS  35  12.932  21.813 -15.911
  271    HE2  LYS  35           HE2      LYS  35  13.942  21.103 -18.057
  272    HE3  LYS  35           HE3      LYS  35  13.061  22.377 -18.908
  273    HZ1  LYS  35           HZ1      LYS  35  15.333  23.040 -18.427
  274    HZ2  LYS  35           HZ2      LYS  35  14.310  24.017 -17.619
  275    HZ3  LYS  35           HZ3      LYS  35  15.126  22.835 -16.820
  276    H    LYS  36           H        LYS  36   9.641  22.541 -12.996
  277    HA   LYS  36           HA       LYS  36   7.567  20.806 -11.934
  278    HB2  LYS  36           HB2      LYS  36   8.017  23.797 -11.579
  279    HB3  LYS  36           HB3      LYS  36   6.924  22.802 -10.616
  280    HG2  LYS  36           HG2      LYS  36   8.610  21.883  -9.350
  281    HG3  LYS  36           HG3      LYS  36   9.775  21.896 -10.667
  282    HD2  LYS  36           HD2      LYS  36  10.497  23.451  -8.985
  283    HD3  LYS  36           HD3      LYS  36  10.076  24.294 -10.495
  284    HE2  LYS  36           HE2      LYS  36   7.864  24.918  -9.482
  285    HE3  LYS  36           HE3      LYS  36   8.305  24.058  -8.004
  286    HZ1  LYS  36           HZ1      LYS  36  10.118  25.649  -7.693
  287    HZ2  LYS  36           HZ2      LYS  36   9.721  26.445  -9.069
  288    HZ3  LYS  36           HZ3      LYS  36   8.691  26.433  -7.802
  289    H    LEU  37           H        LEU  37   5.624  20.497 -13.027
  290    HA   LEU  37           HA       LEU  37   4.874  22.306 -15.194
  291    HB2  LEU  37           HB2      LEU  37   3.213  20.100 -13.924
  292    HB3  LEU  37           HB3      LEU  37   2.868  20.925 -15.424
  293    HG   LEU  37           HG       LEU  37   5.157  19.035 -14.894
  294   HD11  LEU  37          HD11      LEU  37   2.766  18.947 -16.784
  295   HD12  LEU  37          HD12      LEU  37   4.032  17.700 -16.657
  296   HD13  LEU  37          HD13      LEU  37   2.956  18.008 -15.279
  297   HD21  LEU  37          HD21      LEU  37   4.618  20.847 -17.277
  298   HD22  LEU  37          HD22      LEU  37   6.097  20.705 -16.281
  299   HD23  LEU  37          HD23      LEU  37   5.650  19.395 -17.386
  300    H    GLU  38           H        GLU  38   2.683  23.042 -15.313
  301    HA   GLU  38           HA       GLU  38   1.853  24.658 -13.039
  302    HB2  GLU  38           HB2      GLU  38   0.090  25.428 -14.623
  303    HB3  GLU  38           HB3      GLU  38   1.733  25.716 -15.200
  304    HG2  GLU  38           HG2      GLU  38   1.551  23.652 -16.661
  305    HG3  GLU  38           HG3      GLU  38  -0.117  23.469 -16.127
  306    H    THR  39           H        THR  39  -0.212  24.270 -11.976
  307    HA   THR  39           HA       THR  39  -1.601  21.711 -12.509
  308    HB   THR  39           HB       THR  39  -1.485  21.376  -9.931
  309    HG1  THR  39           HG1      THR  39   0.366  22.104  -8.952
  310   HG21  THR  39          HG21      THR  39   0.439  19.848 -10.182
  311   HG22  THR  39          HG22      THR  39  -0.625  19.781 -11.600
  312   HG23  THR  39          HG23      THR  39   0.906  20.679 -11.683
  313    H    ALA  40           H        ALA  40  -3.677  21.634 -11.685
  314    HA   ALA  40           HA       ALA  40  -4.742  23.923 -10.143
  315    HB1  ALA  40           HB1      ALA  40  -5.450  24.334 -12.488
  316    HB2  ALA  40           HB2      ALA  40  -6.094  22.674 -12.595
  317    HB3  ALA  40           HB3      ALA  40  -6.830  23.846 -11.478
  318    H    GLY  41           H        GLY  41  -6.297  23.104  -8.572
  319    HA2  GLY  41           HA2      GLY  41  -6.261  20.120  -8.296
  320    HA3  GLY  41           HA3      GLY  41  -6.019  21.246  -6.954
  321    H    GLU  42           H        GLU  42  -8.319  19.582  -8.861
  322    HA   GLU  42           HA       GLU  42 -10.548  21.212  -7.808
  323    HB2  GLU  42           HB2      GLU  42 -10.296  19.294 -10.127
  324    HB3  GLU  42           HB3      GLU  42 -11.855  19.448  -9.296
  325    HG2  GLU  42           HG2      GLU  42 -11.802  21.886  -9.567
  326    HG3  GLU  42           HG3      GLU  42 -10.267  21.773 -10.449
  327    H    PHE  43           H        PHE  43 -12.240  20.097  -6.673
  328    HA   PHE  43           HA       PHE  43 -11.323  17.594  -5.307
  329    HB2  PHE  43           HB2      PHE  43 -11.105  19.601  -3.855
  330    HB3  PHE  43           HB3      PHE  43 -12.836  19.900  -4.057
  331    HD1  PHE  43           HD2      PHE  43 -10.355  17.359  -2.829
  332    HD2  PHE  43           HD1      PHE  43 -14.420  18.796  -2.635
  333    HE1  PHE  43           HE2      PHE  43 -10.812  15.808  -0.956
  334    HE2  PHE  43           HE1      PHE  43 -14.873  17.238  -0.758
  335    HZ   PHE  43           HZ       PHE  43 -13.075  15.741   0.089
  336    H    VAL  44           H        VAL  44 -12.817  15.992  -5.147
  337    HA   VAL  44           HA       VAL  44 -15.617  16.533  -5.869
  338    HB   VAL  44           HB       VAL  44 -15.372  14.100  -6.872
  339   HG11  VAL  44          HG11      VAL  44 -14.484  16.578  -8.378
  340   HG12  VAL  44          HG12      VAL  44 -15.098  15.080  -9.105
  341   HG13  VAL  44          HG13      VAL  44 -16.159  16.046  -8.069
  342   HG21  VAL  44          HG21      VAL  44 -12.544  15.065  -7.423
  343   HG22  VAL  44          HG22      VAL  44 -13.010  13.712  -6.359
  344   HG23  VAL  44          HG23      VAL  44 -13.344  13.634  -8.095
  345    H    ASP  45           H        ASP  45 -17.000  14.658  -5.226
  346    HA   ASP  45           HA       ASP  45 -16.610  14.059  -2.448
  347    HB2  ASP  45           HB2      ASP  45 -18.805  13.295  -2.413
  348    HB3  ASP  45           HB3      ASP  45 -18.824  14.633  -3.554
  349    H    ASP  46           H        ASP  46 -14.662  12.964  -4.159
  350    HA   ASP  46           HA       ASP  46 -14.713  10.057  -3.643
  351    HB2  ASP  46           HB2      ASP  46 -15.558  10.377  -5.919
  352    HB3  ASP  46           HB3      ASP  46 -14.210  11.444  -6.302
  353    H    GLY  47           H        GLY  47 -12.922  13.132  -3.986
  354    HA2  GLY  47           HA2      GLY  47 -10.698  12.670  -2.585
  355    HA3  GLY  47           HA3      GLY  47 -10.324  11.842  -4.103
  356    H    THR  48           H        THR  48  -8.669  13.382  -4.533
  357    HA   THR  48           HA       THR  48  -9.647  16.042  -5.430
  358    HB   THR  48           HB       THR  48  -6.795  15.553  -4.678
  359    HG1  THR  48           HG1      THR  48  -7.211  16.108  -2.536
  360   HG21  THR  48          HG21      THR  48  -8.547  18.042  -4.539
  361   HG22  THR  48          HG22      THR  48  -6.817  17.966  -4.128
  362   HG23  THR  48          HG23      THR  48  -7.336  17.681  -5.791
  363    H    GLU  49           H        GLU  49  -8.773  16.765  -7.414
  364    HA   GLU  49           HA       GLU  49  -7.308  14.779  -9.019
  365    HB2  GLU  49           HB2      GLU  49  -9.757  16.335  -9.893
  366    HB3  GLU  49           HB3      GLU  49  -8.685  15.415 -10.974
  367    HG2  GLU  49           HG2      GLU  49  -9.114  13.370  -9.632
  368    HG3  GLU  49           HG3      GLU  49 -10.272  14.255  -8.637
  369    H    THR  50           H        THR  50  -5.356  15.700  -9.229
  370    HA   THR  50           HA       THR  50  -5.117  18.636  -9.515
  371    HB   THR  50           HB       THR  50  -3.148  16.426  -8.915
  372    HG1  THR  50           HG1      THR  50  -3.049  17.526  -6.947
  373   HG21  THR  50          HG21      THR  50  -2.574  19.325  -9.627
  374   HG22  THR  50          HG22      THR  50  -1.492  18.364  -8.580
  375   HG23  THR  50          HG23      THR  50  -1.798  17.839 -10.238
  376    H    HIS  51           H        HIS  51  -5.409  19.295 -11.589
  377    HA   HIS  51           HA       HIS  51  -4.948  17.428 -13.832
  378    HB2  HIS  51           HB2      HIS  51  -6.307  20.150 -13.676
  379    HB3  HIS  51           HB3      HIS  51  -6.141  19.197 -15.142
  380    HD1  HIS  51           HD1      HIS  51  -7.833  17.146 -15.452
  381    HD2  HIS  51           HD2      HIS  51  -8.104  19.256 -11.815
  382    HE1  HIS  51           HE1      HIS  51  -9.954  16.328 -14.299
  383    H    PHE  52           H        PHE  52  -3.588  17.861 -15.569
  384    HA   PHE  52           HA       PHE  52  -2.319  20.408 -15.978
  385    HB2  PHE  52           HB2      PHE  52   0.033  19.518 -15.874
  386    HB3  PHE  52           HB3      PHE  52  -0.760  19.722 -14.341
  387    HD1  PHE  52           HD1      PHE  52  -1.437  17.863 -12.935
  388    HD2  PHE  52           HD2      PHE  52   0.729  17.227 -16.619
  389    HE1  PHE  52           HE1      PHE  52  -0.776  15.631 -12.148
  390    HE2  PHE  52           HE2      PHE  52   1.393  14.967 -15.803
  391    HZ   PHE  52           HZ       PHE  52   0.699  14.191 -13.561
  392    H    SER  53           H        SER  53  -0.457  19.688 -17.877
  393    HA   SER  53           HA       SER  53  -1.561  17.638 -19.627
  394    HB2  SER  53           HB2      SER  53  -1.279  20.507 -20.611
  395    HB3  SER  53           HB3      SER  53  -1.735  19.097 -21.582
  396    HG   SER  53           HG       SER  53  -3.548  20.415 -20.888
  397    H    ILE  54           H        ILE  54  -0.036  16.980 -21.199
  398    HA   ILE  54           HA       ILE  54   2.713  18.094 -21.066
  399    HB   ILE  54           HB       ILE  54   1.893  15.185 -20.659
  400   HG12  ILE  54          HG12      ILE  54   3.632  16.976 -18.905
  401   HG13  ILE  54          HG13      ILE  54   1.907  16.764 -18.638
  402   HG21  ILE  54          HG21      ILE  54   4.716  16.322 -21.035
  403   HG22  ILE  54          HG22      ILE  54   4.312  14.633 -20.669
  404   HG23  ILE  54          HG23      ILE  54   3.839  15.321 -22.216
  405   HD11  ILE  54          HD11      ILE  54   2.163  14.381 -18.251
  406   HD12  ILE  54          HD12      ILE  54   3.922  14.534 -18.479
  407   HD13  ILE  54          HD13      ILE  54   3.122  15.376 -17.136
  408    H    GLY  55           H        GLY  55   3.003  18.733 -23.139
  409    HA2  GLY  55           HA2      GLY  55   2.767  18.866 -25.438
  410    HA3  GLY  55           HA3      GLY  55   2.474  17.114 -25.448
  411    H    ASN  56           H        ASN  56   0.609  16.934 -26.652
  412    HA   ASN  56           HA       ASN  56  -1.659  18.740 -26.335
  413    HB2  ASN  56           HB2      ASN  56  -1.008  17.717 -28.508
  414    HB3  ASN  56           HB3      ASN  56  -1.344  16.114 -27.851
  415   HD21  ASN  56          HD22      ASN  56  -2.960  19.323 -28.439
  416   HD22  ASN  56          HD21      ASN  56  -4.522  18.629 -28.786
  417    H    HIS  57           H        HIS  57  -0.579  16.069 -24.471
  418    HA   HIS  57           HA       HIS  57  -3.231  14.833 -24.160
  419    HB2  HIS  57           HB2      HIS  57  -0.597  14.063 -22.855
  420    HB3  HIS  57           HB3      HIS  57  -2.062  13.093 -22.967
  421    HD1  HIS  57           HD1      HIS  57  -2.629  12.144 -25.560
  422    HD2  HIS  57           HD2      HIS  57   1.084  14.017 -24.886
  423    HE1  HIS  57           HE1      HIS  57  -1.166  11.578 -27.559
  424    H    ASP  58           H        ASP  58  -4.573  15.295 -22.443
  425    HA   ASP  58           HA       ASP  58  -3.530  16.968 -20.249
  426    HB2  ASP  58           HB2      ASP  58  -5.584  17.477 -19.591
  427    HB3  ASP  58           HB3      ASP  58  -5.854  17.335 -21.322
  428    H    CYS  59           H        CYS  59  -3.642  16.300 -18.085
  429    HA   CYS  59           HA       CYS  59  -3.677  13.394 -17.544
  430    HB2  CYS  59           HB2      CYS  59  -1.501  15.200 -16.495
  431    HB3  CYS  59           HB3      CYS  59  -1.540  13.437 -16.531
  432    HG   CYS  59           HG       CYS  59  -1.349  15.589 -19.005
  433    H    TYR  60           H        TYR  60  -4.095  12.977 -15.228
  434    HA   TYR  60           HA       TYR  60  -4.007  15.298 -13.531
  435    HB2  TYR  60           HB2      TYR  60  -6.214  15.187 -12.626
  436    HB3  TYR  60           HB3      TYR  60  -6.290  15.449 -14.355
  437    HD1  TYR  60           HD2      TYR  60  -6.522  12.657 -11.822
  438    HD2  TYR  60           HD1      TYR  60  -7.791  14.193 -15.644
  439    HE1  TYR  60           HE2      TYR  60  -8.171  10.832 -12.010
  440    HE2  TYR  60           HE1      TYR  60  -9.578  12.479 -15.740
  441    HH   TYR  60           HH       TYR  60 -10.562  10.613 -14.672
  442    H    ILE  61           H        ILE  61  -3.623  14.797 -11.377
  443    HA   ILE  61           HA       ILE  61  -3.052  11.926 -10.842
  444    HB   ILE  61           HB       ILE  61  -2.338  14.469  -9.383
  445   HG12  ILE  61          HG12      ILE  61  -0.514  12.219 -10.324
  446   HG13  ILE  61          HG13      ILE  61  -1.018  13.494 -11.426
  447   HG21  ILE  61          HG21      ILE  61  -1.257  13.099  -7.642
  448   HG22  ILE  61          HG22      ILE  61  -2.979  12.807  -7.650
  449   HG23  ILE  61          HG23      ILE  61  -1.888  11.610  -8.390
  450   HD11  ILE  61          HD11      ILE  61   1.130  14.053 -10.492
  451   HD12  ILE  61          HD12      ILE  61  -0.084  15.221  -9.899
  452   HD13  ILE  61          HD13      ILE  61   0.505  13.919  -8.834
  453    H    LYS  62           H        LYS  62  -4.669  10.775 -10.006
  454    HA   LYS  62           HA       LYS  62  -6.997  12.095  -8.707
  455    HB2  LYS  62           HB2      LYS  62  -6.830   9.916 -10.430
  456    HB3  LYS  62           HB3      LYS  62  -6.800   9.103  -8.878
  457    HG2  LYS  62           HG2      LYS  62  -8.935  10.264  -8.261
  458    HG3  LYS  62           HG3      LYS  62  -8.929  11.068  -9.838
  459    HD2  LYS  62           HD2      LYS  62  -8.984   8.820 -10.975
  460    HD3  LYS  62           HD3      LYS  62  -8.987   8.049  -9.385
  461    HE2  LYS  62           HE2      LYS  62 -11.233   8.005 -10.010
  462    HE3  LYS  62           HE3      LYS  62 -11.134   9.345  -8.873
  463    HZ1  LYS  62           HZ1      LYS  62 -11.154   9.640 -11.846
  464    HZ2  LYS  62           HZ2      LYS  62 -12.439   9.870 -10.867
  465    HZ3  LYS  62           HZ3      LYS  62 -11.175  10.892 -10.778
  466    H    ALA  63           H        ALA  63  -6.733  12.445  -6.576
  467    HA   ALA  63           HA       ALA  63  -4.971  10.656  -4.991
  468    HB1  ALA  63           HB1      ALA  63  -5.795  13.558  -4.573
  469    HB2  ALA  63           HB2      ALA  63  -4.913  12.578  -3.395
  470    HB3  ALA  63           HB3      ALA  63  -4.164  12.944  -4.964
  471    H    VAL  64           H        VAL  64  -6.524   9.100  -4.681
  472    HA   VAL  64           HA       VAL  64  -9.290   9.854  -4.196
  473    HB   VAL  64           HB       VAL  64  -8.331   6.990  -4.214
  474   HG11  VAL  64          HG11      VAL  64 -10.442   6.632  -5.429
  475   HG12  VAL  64          HG12      VAL  64 -10.742   7.566  -3.961
  476   HG13  VAL  64          HG13      VAL  64 -10.704   8.386  -5.536
  477   HG21  VAL  64          HG21      VAL  64  -7.024   7.768  -6.070
  478   HG22  VAL  64          HG22      VAL  64  -8.407   6.886  -6.699
  479   HG23  VAL  64          HG23      VAL  64  -8.420   8.662  -6.742
  480    H    SER  65           H        SER  65 -10.204   9.840  -2.058
  481    HA   SER  65           HA       SER  65  -8.536   8.816   0.122
  482    HB2  SER  65           HB2      SER  65 -10.590   9.798   1.436
  483    HB3  SER  65           HB3      SER  65  -9.327  10.820   0.755
  484    HG   SER  65           HG       SER  65 -11.501  11.550   0.293
  485    H    SER  66           H        SER  66  -8.883   6.706  -1.295
  486    HA   SER  66           HA       SER  66 -11.326   5.259  -0.876
  487    HB2  SER  66           HB2      SER  66  -8.539   4.301  -1.665
  488    HB3  SER  66           HB3      SER  66 -10.054   3.389  -1.847
  489    HG   SER  66           HG       SER  66  -9.615   4.378  -3.795
  490    H    GLY  67           H        GLY  67  -8.203   5.424   0.913
  491    HA2  GLY  67           HA2      GLY  67  -8.813   3.139   2.598
  492    HA3  GLY  67           HA3      GLY  67  -7.474   4.276   2.774
  493    H    LYS  68           H        LYS  68  -9.731   3.160   4.624
  494    HA   LYS  68           HA       LYS  68 -11.066   5.585   5.564
  495    HB2  LYS  68           HB2      LYS  68 -12.031   3.272   5.628
  496    HB3  LYS  68           HB3      LYS  68 -10.834   2.839   6.863
  497    HG2  LYS  68           HG2      LYS  68 -11.770   4.549   8.384
  498    HG3  LYS  68           HG3      LYS  68 -12.916   5.059   7.144
  499    HD2  LYS  68           HD2      LYS  68 -12.812   2.280   8.400
  500    HD3  LYS  68           HD3      LYS  68 -13.876   3.592   8.922
  501    HE2  LYS  68           HE2      LYS  68 -14.913   3.655   6.649
  502    HE3  LYS  68           HE3      LYS  68 -13.893   2.301   6.153
  503    HZ1  LYS  68           HZ1      LYS  68 -15.918   2.198   8.321
  504    HZ2  LYS  68           HZ2      LYS  68 -16.082   1.550   6.832
  505    HZ3  LYS  68           HZ3      LYS  68 -14.973   0.938   7.859
  506    H    ARG  69           H        ARG  69  -8.068   3.883   6.265
  507    HA   ARG  69           HA       ARG  69  -7.540   4.980   8.844
  508    HB2  ARG  69           HB2      ARG  69  -6.427   2.977   7.714
  509    HB3  ARG  69           HB3      ARG  69  -5.567   4.100   6.674
  510    HG2  ARG  69           HG2      ARG  69  -4.088   3.353   8.389
  511    HG3  ARG  69           HG3      ARG  69  -4.418   5.052   8.701
  512    HD2  ARG  69           HD2      ARG  69  -6.081   4.378  10.458
  513    HD3  ARG  69           HD3      ARG  69  -5.734   2.674  10.089
  514    HE   ARG  69           HE       ARG  69  -3.292   3.996  10.675
  515   HH11  ARG  69          HH22      ARG  69  -6.237   2.944  12.378
  516   HH12  ARG  69          HH21      ARG  69  -5.452   2.770  13.909
  517   HH21  ARG  69          HH11      ARG  69  -2.257   3.776  12.712
  518   HH22  ARG  69          HH12      ARG  69  -3.144   3.252  14.098
  519    H    LYS  70           H        LYS  70  -6.014   6.722   9.394
  520    HA   LYS  70           HA       LYS  70  -6.302   9.131   7.941
  521    HB2  LYS  70           HB2      LYS  70  -5.719   9.006  10.342
  522    HB3  LYS  70           HB3      LYS  70  -4.176   8.252   9.953
  523    HG2  LYS  70           HG2      LYS  70  -3.863  10.560  10.553
  524    HG3  LYS  70           HG3      LYS  70  -3.403  10.328   8.873
  525    HD2  LYS  70           HD2      LYS  70  -5.529  11.338   8.117
  526    HD3  LYS  70           HD3      LYS  70  -6.085  11.486   9.786
  527    HE2  LYS  70           HE2      LYS  70  -3.591  12.850   8.644
  528    HE3  LYS  70           HE3      LYS  70  -5.186  13.601   8.715
  529    HZ1  LYS  70           HZ1      LYS  70  -5.118  13.399  11.140
  530    HZ2  LYS  70           HZ2      LYS  70  -3.614  12.744  11.086
  531    HZ3  LYS  70           HZ3      LYS  70  -3.857  14.272  10.590
  532    H    GLU  71           H        GLU  71  -5.001  10.163   6.433
  533    HA   GLU  71           HA       GLU  71  -3.787  10.344   4.610
  534    HB2  GLU  71           HB2      GLU  71  -2.003  10.024   6.617
  535    HB3  GLU  71           HB3      GLU  71  -1.472   8.706   5.588
  536    HG2  GLU  71           HG2      GLU  71  -1.750  11.662   4.862
  537    HG3  GLU  71           HG3      GLU  71  -0.248  10.805   5.164
  538    H    GLY  72           H        GLY  72  -5.723   8.329   4.596
  539    HA2  GLY  72           HA2      GLY  72  -4.679   5.933   3.316
  540    HA3  GLY  72           HA3      GLY  72  -6.375   6.319   3.676
  541    H    ILE  73           H        ILE  73  -4.406   8.613   1.939
  542    HA   ILE  73           HA       ILE  73  -6.126   8.566  -0.344
  543    HB   ILE  73           HB       ILE  73  -3.514   9.990   0.216
  544   HG12  ILE  73          HG12      ILE  73  -5.586  10.641   1.600
  545   HG13  ILE  73          HG13      ILE  73  -4.764  11.934   0.726
  546   HG21  ILE  73          HG21      ILE  73  -5.375  10.266  -2.173
  547   HG22  ILE  73          HG22      ILE  73  -4.110  11.452  -1.713
  548   HG23  ILE  73          HG23      ILE  73  -3.662   9.815  -2.179
  549   HD11  ILE  73          HD11      ILE  73  -6.517  12.000  -0.945
  550   HD12  ILE  73          HD12      ILE  73  -7.237  10.515  -0.284
  551   HD13  ILE  73          HD13      ILE  73  -7.261  12.014   0.663
  552    H    ILE  74           H        ILE  74  -5.845   7.584  -2.300
  553    HA   ILE  74           HA       ILE  74  -3.384   5.986  -2.795
  554    HB   ILE  74           HB       ILE  74  -6.150   5.850  -4.050
  555   HG12  ILE  74          HG12      ILE  74  -6.221   5.019  -1.776
  556   HG13  ILE  74          HG13      ILE  74  -6.412   3.705  -2.928
  557   HG21  ILE  74          HG21      ILE  74  -3.670   4.136  -4.537
  558   HG22  ILE  74          HG22      ILE  74  -5.306   3.756  -5.125
  559   HG23  ILE  74          HG23      ILE  74  -4.482   5.208  -5.695
  560   HD11  ILE  74          HD11      ILE  74  -3.888   4.346  -1.334
  561   HD12  ILE  74          HD12      ILE  74  -5.024   3.027  -1.036
  562   HD13  ILE  74          HD13      ILE  74  -4.047   3.017  -2.513
  563    H    HIS  75           H        HIS  75  -1.969   7.151  -4.115
  564    HA   HIS  75           HA       HIS  75  -3.070   9.371  -5.770
  565    HB2  HIS  75           HB2      HIS  75  -0.222   8.648  -4.997
  566    HB3  HIS  75           HB3      HIS  75  -0.651   9.877  -6.188
  567    HD1  HIS  75           HD1      HIS  75  -0.564   9.378  -2.404
  568    HD2  HIS  75           HD2      HIS  75  -1.898  12.125  -5.300
  569    HE1  HIS  75           HE1      HIS  75  -1.120  11.540  -1.164
  570    H    THR  76           H        THR  76  -3.446   8.981  -7.881
  571    HA   THR  76           HA       THR  76  -1.870   6.893  -9.290
  572    HB   THR  76           HB       THR  76  -4.792   7.420  -9.941
  573    HG1  THR  76           HG1      THR  76  -4.905   6.685  -7.836
  574   HG21  THR  76          HG21      THR  76  -2.912   5.078 -10.434
  575   HG22  THR  76          HG22      THR  76  -4.648   5.115 -10.815
  576   HG23  THR  76          HG23      THR  76  -3.539   6.230 -11.640
  577    H    LEU  77           H        LEU  77  -1.345   7.498 -11.481
  578    HA   LEU  77           HA       LEU  77  -2.040  10.299 -12.198
  579    HB2  LEU  77           HB2      LEU  77   0.333   9.823 -12.281
  580    HB3  LEU  77           HB3      LEU  77   0.054   8.372 -13.251
  581    HG   LEU  77           HG       LEU  77  -0.843   9.806 -15.093
  582   HD11  LEU  77          HD11      LEU  77  -0.294  12.273 -14.985
  583   HD12  LEU  77          HD12      LEU  77  -1.607  11.792 -13.912
  584   HD13  LEU  77          HD13      LEU  77   0.020  12.066 -13.241
  585   HD21  LEU  77          HD21      LEU  77   1.951  10.510 -14.117
  586   HD22  LEU  77          HD22      LEU  77   1.490   9.090 -15.090
  587   HD23  LEU  77          HD23      LEU  77   1.343  10.714 -15.776
  588    H    ILE  78           H        ILE  78  -3.633  10.577 -13.689
  589    HA   ILE  78           HA       ILE  78  -4.387   8.319 -15.436
  590    HB   ILE  78           HB       ILE  78  -5.959  10.516 -14.100
  591   HG12  ILE  78          HG12      ILE  78  -7.672   8.752 -13.858
  592   HG13  ILE  78          HG13      ILE  78  -6.657   7.615 -14.745
  593   HG21  ILE  78          HG21      ILE  78  -7.846  10.069 -15.715
  594   HG22  ILE  78          HG22      ILE  78  -6.509  11.066 -16.301
  595   HG23  ILE  78          HG23      ILE  78  -6.648   9.341 -16.800
  596   HD11  ILE  78          HD11      ILE  78  -6.684   7.424 -12.204
  597   HD12  ILE  78          HD12      ILE  78  -5.087   7.511 -12.956
  598   HD13  ILE  78          HD13      ILE  78  -5.775   8.962 -12.172
  599    H    VAL  79           H        VAL  79  -4.284   8.809 -17.680
  600    HA   VAL  79           HA       VAL  79  -3.731  11.553 -18.513
  601    HB   VAL  79           HB       VAL  79  -2.119   9.155 -19.446
  602   HG11  VAL  79          HG11      VAL  79  -0.746  10.826 -20.674
  603   HG12  VAL  79          HG12      VAL  79  -2.409  10.789 -21.264
  604   HG13  VAL  79          HG13      VAL  79  -1.880  12.104 -20.194
  605   HG21  VAL  79          HG21      VAL  79  -1.318  11.513 -17.699
  606   HG22  VAL  79          HG22      VAL  79  -1.403   9.803 -17.226
  607   HG23  VAL  79          HG23      VAL  79  -0.197  10.340 -18.400
  608    H    ASP  80           H        ASP  80  -4.892  12.109 -20.258
  609    HA   ASP  80           HA       ASP  80  -6.728  12.031 -21.548
  610    HB2  ASP  80           HB2      ASP  80  -4.834  11.464 -23.032
  611    HB3  ASP  80           HB3      ASP  80  -5.224   9.753 -22.853
  612    H    ASN  81           H        ASN  81  -7.265  10.889 -19.207
  613    HA   ASN  81           HA       ASN  81  -8.760   9.811 -18.028
  614    HB2  ASN  81           HB2      ASN  81 -10.281  10.777 -19.810
  615    HB3  ASN  81           HB3      ASN  81 -10.319   9.169 -20.536
  616   HD21  ASN  81          HD22      ASN  81 -12.575   8.786 -20.117
  617   HD22  ASN  81          HD21      ASN  81 -13.215   8.649 -18.500
  618    H    ARG  82           H        ARG  82  -6.516   8.077 -19.395
  619    HA   ARG  82           HA       ARG  82  -7.629   5.551 -18.309
  620    HB2  ARG  82           HB2      ARG  82  -5.534   5.999 -20.488
  621    HB3  ARG  82           HB3      ARG  82  -5.682   4.484 -19.591
  622    HG2  ARG  82           HG2      ARG  82  -7.195   3.866 -21.136
  623    HG3  ARG  82           HG3      ARG  82  -8.295   4.891 -20.210
  624    HD2  ARG  82           HD2      ARG  82  -8.603   5.478 -22.478
  625    HD3  ARG  82           HD3      ARG  82  -7.728   6.795 -21.693
  626    HE   ARG  82           HE       ARG  82  -6.116   4.732 -23.082
  627   HH11  ARG  82          HH11      ARG  82  -7.504   7.982 -23.195
  628   HH12  ARG  82          HH12      ARG  82  -6.701   8.464 -24.643
  629   HH21  ARG  82          HH21      ARG  82  -4.953   5.373 -25.001
  630   HH22  ARG  82          HH22      ARG  82  -5.212   6.933 -25.689
  631    H    GLU  83           H        GLU  83  -6.260   4.261 -17.067
  632    HA   GLU  83           HA       GLU  83  -4.925   5.922 -15.097
  633    HB2  GLU  83           HB2      GLU  83  -6.614   4.436 -14.357
  634    HB3  GLU  83           HB3      GLU  83  -5.891   3.047 -15.192
  635    HG2  GLU  83           HG2      GLU  83  -3.962   3.099 -13.670
  636    HG3  GLU  83           HG3      GLU  83  -4.607   4.549 -12.910
  637    H    ILE  84           H        ILE  84  -2.783   5.844 -14.506
  638    HA   ILE  84           HA       ILE  84  -0.924   4.177 -16.112
  639    HB   ILE  84           HB       ILE  84  -0.491   6.956 -14.950
  640   HG12  ILE  84          HG12      ILE  84  -2.055   7.242 -16.730
  641   HG13  ILE  84          HG13      ILE  84  -0.476   7.818 -17.200
  642   HG21  ILE  84          HG21      ILE  84   1.572   6.995 -16.270
  643   HG22  ILE  84          HG22      ILE  84   1.594   5.699 -15.076
  644   HG23  ILE  84          HG23      ILE  84   1.293   5.321 -16.785
  645   HD11  ILE  84          HD11      ILE  84  -1.601   6.666 -19.051
  646   HD12  ILE  84          HD12      ILE  84  -0.122   5.805 -18.600
  647   HD13  ILE  84          HD13      ILE  84  -1.712   5.190 -18.086
  648    HA   PRO  85           HA       PRO  85  -0.204   2.812 -11.826
  649    HB2  PRO  85           HB2      PRO  85   1.401   0.660 -12.280
  650    HB3  PRO  85           HB3      PRO  85  -0.349   0.637 -12.651
  651    HG2  PRO  85           HG2      PRO  85   1.952   1.167 -14.562
  652    HG3  PRO  85           HG3      PRO  85   0.555   0.063 -14.785
  653    HD2  PRO  85           HD2      PRO  85   0.620   2.603 -15.818
  654    HD3  PRO  85           HD3      PRO  85  -0.902   1.849 -15.252
  655    H    GLU  86           H        GLU  86   1.534   3.004 -10.313
  656    HA   GLU  86           HA       GLU  86   3.666   4.819 -10.841
  657    HB2  GLU  86           HB2      GLU  86   2.808   3.061  -8.592
  658    HB3  GLU  86           HB3      GLU  86   4.537   3.403  -8.677
  659    HG2  GLU  86           HG2      GLU  86   3.981   5.847  -8.955
  660    HG3  GLU  86           HG3      GLU  86   2.300   5.451  -8.571
  661    H    ILE  87           H        ILE  87   5.941   4.354 -10.765
  662    HA   ILE  87           HA       ILE  87   6.814   2.350 -12.588
  663    HB   ILE  87           HB       ILE  87   9.101   2.972 -11.792
  664   HG12  ILE  87          HG12      ILE  87   7.793   5.024 -10.018
  665   HG13  ILE  87          HG13      ILE  87   8.433   3.503  -9.413
  666   HG21  ILE  87          HG21      ILE  87   9.068   5.159 -12.826
  667   HG22  ILE  87          HG22      ILE  87   7.944   4.073 -13.646
  668   HG23  ILE  87          HG23      ILE  87   7.318   5.308 -12.532
  669   HD11  ILE  87          HD11      ILE  87  10.101   5.612 -10.835
  670   HD12  ILE  87          HD12      ILE  87  10.095   5.244  -9.102
  671   HD13  ILE  87          HD13      ILE  87  10.682   4.037 -10.254
  672    H    ALA  88           H        ALA  88   8.220   0.575 -12.269
  673    HA   ALA  88           HA       ALA  88   7.808  -0.896  -9.737
  674    HB1  ALA  88           HB1      ALA  88   7.393  -2.184 -11.761
  675    HB2  ALA  88           HB2      ALA  88   9.013  -1.772 -12.383
  676    HB3  ALA  88           HB3      ALA  88   8.851  -2.771 -10.922
  677    H    SER  89           H        SER  89   9.098   0.281  -8.370
  678    HA   SER  89           HA       SER  89  11.778   1.086  -8.920
  679    HB2  SER  89           HB2      SER  89  10.537   0.468  -6.209
  680    HB3  SER  89           HB3      SER  89  11.943   1.491  -6.528
  681    HG   SER  89           HG       SER  89   9.978   2.726  -6.230
  Start of MODEL   19
    1    H1   GLU   1           H1       GLU   1  14.973  16.970  14.554
    2    H2   GLU   1           H2       GLU   1  14.503  17.448  13.061
    3    H3   GLU   1           H3       GLU   1  14.213  15.911  13.547
    4    HA   GLU   1           HA       GLU   1  16.876  17.107  13.156
    5    HB2  GLU   1           HB2      GLU   1  16.147  14.194  13.688
    6    HB3  GLU   1           HB3      GLU   1  17.751  14.787  13.249
    7    HG2  GLU   1           HG2      GLU   1  16.221  15.454  15.801
    8    HG3  GLU   1           HG3      GLU   1  17.589  14.369  15.643
    9    H    ASP   2           H        ASP   2  15.180  14.224  11.742
   10    HA   ASP   2           HA       ASP   2  15.214  15.464   9.062
   11    HB2  ASP   2           HB2      ASP   2  17.437  14.430   9.236
   12    HB3  ASP   2           HB3      ASP   2  16.718  12.917   9.798
   13    H    ARG   3           H        ARG   3  13.706  14.411   7.659
   14    HA   ARG   3           HA       ARG   3  12.205  12.098   8.700
   15    HB2  ARG   3           HB2      ARG   3  10.942  14.715   7.800
   16    HB3  ARG   3           HB3      ARG   3  10.067  13.189   7.820
   17    HG2  ARG   3           HG2      ARG   3  11.394  14.411  10.267
   18    HG3  ARG   3           HG3      ARG   3   9.706  14.669   9.838
   19    HD2  ARG   3           HD2      ARG   3  10.978  11.976  10.476
   20    HD3  ARG   3           HD3      ARG   3  10.016  12.949  11.593
   21    HE   ARG   3           HE       ARG   3   8.393  12.626   9.363
   22   HH11  ARG   3          HH11      ARG   3   9.913  10.458  11.741
   23   HH12  ARG   3          HH12      ARG   3   8.716   9.222  11.595
   24   HH21  ARG   3          HH21      ARG   3   6.784  10.979   9.180
   25   HH22  ARG   3          HH22      ARG   3   6.896   9.534  10.117
   26    H    SER   4           H        SER   4  11.400  10.764   7.018
   27    HA   SER   4           HA       SER   4  12.846  10.793   4.585
   28    HB2  SER   4           HB2      SER   4  10.226   9.351   5.162
   29    HB3  SER   4           HB3      SER   4  11.476   8.891   3.994
   30    HG   SER   4           HG       SER   4  11.634   7.672   5.952
   31    H    LYS   5           H        LYS   5  12.198  11.259   2.451
   32    HA   LYS   5           HA       LYS   5   9.977  13.167   2.125
   33    HB2  LYS   5           HB2      LYS   5  12.474  12.859   0.821
   34    HB3  LYS   5           HB3      LYS   5  11.319  12.207  -0.331
   35    HG2  LYS   5           HG2      LYS   5  11.553  14.510  -0.838
   36    HG3  LYS   5           HG3      LYS   5   9.972  14.353  -0.062
   37    HD2  LYS   5           HD2      LYS   5  11.063  15.081   2.122
   38    HD3  LYS   5           HD3      LYS   5  12.560  15.354   1.240
   39    HE2  LYS   5           HE2      LYS   5   9.894  16.729   0.674
   40    HE3  LYS   5           HE3      LYS   5  11.202  17.414   1.660
   41    HZ1  LYS   5           HZ1      LYS   5  12.608  17.249  -0.400
   42    HZ2  LYS   5           HZ2      LYS   5  11.233  16.864  -1.249
   43    HZ3  LYS   5           HZ3      LYS   5  11.371  18.310  -0.506
   44    H    THR   6           H        THR   6   8.306  12.728   0.422
   45    HA   THR   6           HA       THR   6   7.715   9.837   0.105
   46    HB   THR   6           HB       THR   6   5.499  11.658   0.957
   47    HG1  THR   6           HG1      THR   6   6.849  11.958   2.675
   48   HG21  THR   6          HG21      THR   6   5.194   9.248   0.102
   49   HG22  THR   6          HG22      THR   6   6.088   8.709   1.529
   50   HG23  THR   6          HG23      THR   6   4.542   9.560   1.732
   51    H    THR   7           H        THR   7   7.245   9.366  -1.920
   52    HA   THR   7           HA       THR   7   6.218  11.418  -3.778
   53    HB   THR   7           HB       THR   7   8.153  10.468  -5.318
   54    HG1  THR   7           HG1      THR   7   9.970   9.797  -4.215
   55   HG21  THR   7          HG21      THR   7   9.807  12.200  -4.426
   56   HG22  THR   7          HG22      THR   7   8.218  12.795  -4.864
   57   HG23  THR   7          HG23      THR   7   8.633  12.567  -3.150
   58    H    ASN   8           H        ASN   8   5.494  10.458  -5.800
   59    HA   ASN   8           HA       ASN   8   5.120   7.465  -5.921
   60    HB2  ASN   8           HB2      ASN   8   3.101   9.580  -6.777
   61    HB3  ASN   8           HB3      ASN   8   2.988   7.851  -7.081
   62   HD21  ASN   8          HD22      ASN   8   3.076   6.440  -4.907
   63   HD22  ASN   8          HD21      ASN   8   2.042   7.066  -3.648
   64    H    THR   9           H        THR   9   5.901   6.713  -7.833
   65    HA   THR   9           HA       THR   9   6.530   8.746  -9.908
   66    HB   THR   9           HB       THR   9   8.040   6.196  -9.295
   67    HG1  THR   9           HG1      THR   9   8.675   7.639  -7.824
   68   HG21  THR   9          HG21      THR   9   8.045   6.642 -11.716
   69   HG22  THR   9          HG22      THR   9   8.576   8.288 -11.442
   70   HG23  THR   9          HG23      THR   9   9.645   6.938 -11.004
   71    H    TRP  10           H        TRP  10   5.926   8.284 -11.970
   72    HA   TRP  10           HA       TRP  10   4.646   5.688 -12.614
   73    HB2  TRP  10           HB2      TRP  10   3.489   8.449 -13.280
   74    HB3  TRP  10           HB3      TRP  10   2.896   6.918 -13.889
   75    HD1  TRP  10           HD1      TRP  10   1.574   5.392 -12.244
   76    HE1  TRP  10           HE1      TRP  10   0.184   5.860 -10.147
   77    HE3  TRP  10           HE3      TRP  10   3.467   9.961 -11.140
   78    HZ2  TRP  10           HZ2      TRP  10  -0.128   8.077  -8.255
   79    HZ3  TRP  10           HZ3      TRP  10   2.490  11.329  -9.336
   80    HH2  TRP  10           HH2      TRP  10   0.696  10.405  -7.869
   81    H    VAL  11           H        VAL  11   4.631   5.369 -14.930
   82    HA   VAL  11           HA       VAL  11   6.497   7.051 -16.422
   83    HB   VAL  11           HB       VAL  11   6.398   4.115 -16.608
   84   HG11  VAL  11          HG11      VAL  11   7.139   5.256 -18.702
   85   HG12  VAL  11          HG12      VAL  11   8.335   6.183 -17.780
   86   HG13  VAL  11          HG13      VAL  11   8.506   4.418 -17.955
   87   HG21  VAL  11          HG21      VAL  11   8.383   5.826 -15.088
   88   HG22  VAL  11          HG22      VAL  11   7.353   4.521 -14.463
   89   HG23  VAL  11          HG23      VAL  11   8.695   4.129 -15.543
   90    H    LEU  12           H        LEU  12   5.701   7.624 -18.422
   91    HA   LEU  12           HA       LEU  12   3.136   6.361 -19.314
   92    HB2  LEU  12           HB2      LEU  12   4.101   9.225 -19.692
   93    HB3  LEU  12           HB3      LEU  12   2.594   8.535 -20.305
   94    HG   LEU  12           HG       LEU  12   3.273   8.887 -17.362
   95   HD11  LEU  12          HD11      LEU  12   2.975  11.023 -18.590
   96   HD12  LEU  12          HD12      LEU  12   1.415  10.458 -19.205
   97   HD13  LEU  12          HD13      LEU  12   1.650  10.736 -17.462
   98   HD21  LEU  12          HD21      LEU  12   0.718   7.997 -18.789
   99   HD22  LEU  12          HD22      LEU  12   1.761   6.967 -17.802
  100   HD23  LEU  12          HD23      LEU  12   0.901   8.299 -17.036
  101    H    HIS  13           H        HIS  13   3.465   5.190 -21.071
  102    HA   HIS  13           HA       HIS  13   5.661   5.902 -22.883
  103    HB2  HIS  13           HB2      HIS  13   5.352   3.515 -22.287
  104    HB3  HIS  13           HB3      HIS  13   3.728   3.555 -22.965
  105    HD1  HIS  13           HD1      HIS  13   6.634   5.205 -24.911
  106    HD2  HIS  13           HD2      HIS  13   4.352   1.658 -24.766
  107    HE1  HIS  13           HE1      HIS  13   7.213   3.880 -27.010
  108    H    MET  14           H        MET  14   5.171   7.421 -24.465
  109    HA   MET  14           HA       MET  14   2.515   7.507 -25.657
  110    HB2  MET  14           HB2      MET  14   3.734   9.941 -24.281
  111    HB3  MET  14           HB3      MET  14   2.258   9.930 -25.250
  112    HG2  MET  14           HG2      MET  14   1.246   8.344 -23.594
  113    HG3  MET  14           HG3      MET  14   2.690   8.527 -22.595
  114    HE1  MET  14           HE1      MET  14   2.425  12.306 -21.474
  115    HE2  MET  14           HE2      MET  14   3.471  10.873 -21.556
  116    HE3  MET  14           HE3      MET  14   3.172  11.842 -23.017
  117    H    ASP  15           H        ASP  15   2.662   8.171 -27.784
  118    HA   ASP  15           HA       ASP  15   3.632   8.501 -29.781
  119    HB2  ASP  15           HB2      ASP  15   3.180  10.766 -28.906
  120    HB3  ASP  15           HB3      ASP  15   4.854  10.876 -28.363
  121    H    GLY  16           H        GLY  16   5.048   6.541 -28.404
  122    HA2  GLY  16           HA2      GLY  16   6.862   5.219 -28.909
  123    HA3  GLY  16           HA3      GLY  16   7.483   6.483 -29.964
  124    H    GLU  17           H        GLU  17   6.980   8.006 -27.015
  125    HA   GLU  17           HA       GLU  17   9.735   7.542 -26.107
  126    HB2  GLU  17           HB2      GLU  17   7.932   9.983 -26.015
  127    HB3  GLU  17           HB3      GLU  17   9.311   9.810 -24.926
  128    HG2  GLU  17           HG2      GLU  17  10.818   9.471 -26.865
  129    HG3  GLU  17           HG3      GLU  17   9.458   9.726 -27.969
  130    H    ASN  18           H        ASN  18   9.974   7.904 -23.679
  131    HA   ASN  18           HA       ASN  18   7.667   6.903 -22.138
  132    HB2  ASN  18           HB2      ASN  18  10.492   5.844 -22.089
  133    HB3  ASN  18           HB3      ASN  18   9.545   5.897 -20.610
  134   HD21  ASN  18          HD22      ASN  18   9.685   4.411 -23.861
  135   HD22  ASN  18          HD21      ASN  18   8.491   3.185 -23.520
  136    H    PHE  19           H        PHE  19   7.089   8.397 -20.763
  137    HA   PHE  19           HA       PHE  19   9.034  10.523 -19.925
  138    HB2  PHE  19           HB2      PHE  19   5.982  10.508 -19.971
  139    HB3  PHE  19           HB3      PHE  19   6.991  11.843 -19.455
  140    HD1  PHE  19           HD1      PHE  19   5.842   9.839 -22.369
  141    HD2  PHE  19           HD2      PHE  19   8.094  13.287 -21.073
  142    HE1  PHE  19           HE1      PHE  19   5.981  10.643 -24.712
  143    HE2  PHE  19           HE2      PHE  19   8.232  14.076 -23.431
  144    HZ   PHE  19           HZ       PHE  19   7.202  12.724 -25.253
  145    H    ARG  20           H        ARG  20   9.776  10.255 -17.807
  146    HA   ARG  20           HA       ARG  20   8.205   8.710 -15.885
  147    HB2  ARG  20           HB2      ARG  20  10.849  10.192 -15.667
  148    HB3  ARG  20           HB3      ARG  20   9.972   9.563 -14.265
  149    HG2  ARG  20           HG2      ARG  20   9.843   7.409 -15.994
  150    HG3  ARG  20           HG3      ARG  20  11.440   8.067 -16.374
  151    HD2  ARG  20           HD2      ARG  20  10.341   7.336 -13.635
  152    HD3  ARG  20           HD3      ARG  20  11.429   6.310 -14.561
  153    HE   ARG  20           HE       ARG  20  12.098   8.665 -12.972
  154   HH11  ARG  20          HH11      ARG  20  13.300   6.530 -15.558
  155   HH12  ARG  20          HH12      ARG  20  14.954   6.966 -15.332
  156   HH21  ARG  20          HH21      ARG  20  14.299   9.253 -12.695
  157   HH22  ARG  20          HH22      ARG  20  15.530   8.538 -13.668
  158    H    ILE  21           H        ILE  21   7.160   9.498 -14.171
  159    HA   ILE  21           HA       ILE  21   6.628  12.396 -14.008
  160    HB   ILE  21           HB       ILE  21   4.660  10.174 -13.514
  161   HG12  ILE  21          HG12      ILE  21   5.069  10.447 -15.872
  162   HG13  ILE  21          HG13      ILE  21   3.421  10.858 -15.427
  163   HG21  ILE  21          HG21      ILE  21   4.177  13.157 -13.314
  164   HG22  ILE  21          HG22      ILE  21   2.956  11.869 -13.136
  165   HG23  ILE  21          HG23      ILE  21   4.238  12.033 -11.936
  166   HD11  ILE  21          HD11      ILE  21   4.426  12.330 -17.166
  167   HD12  ILE  21          HD12      ILE  21   3.885  13.222 -15.724
  168   HD13  ILE  21          HD13      ILE  21   5.616  12.896 -15.998
  169    H    VAL  22           H        VAL  22   7.128  13.051 -11.800
  170    HA   VAL  22           HA       VAL  22   6.811  10.988  -9.747
  171    HB   VAL  22           HB       VAL  22   9.117  12.952  -9.772
  172   HG11  VAL  22          HG11      VAL  22   8.470  10.583  -7.950
  173   HG12  VAL  22          HG12      VAL  22   9.918  11.607  -7.835
  174   HG13  VAL  22          HG13      VAL  22   8.322  12.295  -7.496
  175   HG21  VAL  22          HG21      VAL  22   9.537  11.226 -11.482
  176   HG22  VAL  22          HG22      VAL  22  10.615  11.023 -10.090
  177   HG23  VAL  22          HG23      VAL  22   9.212   9.962 -10.266
  178    H    LEU  23           H        LEU  23   5.296  11.671  -8.414
  179    HA   LEU  23           HA       LEU  23   4.650  14.567  -8.160
  180    HB2  LEU  23           HB2      LEU  23   2.719  13.233  -8.263
  181    HB3  LEU  23           HB3      LEU  23   3.417  11.968  -7.246
  182    HG   LEU  23           HG       LEU  23   3.325  13.511  -5.253
  183   HD11  LEU  23          HD11      LEU  23   1.684  15.292  -7.098
  184   HD12  LEU  23          HD12      LEU  23   1.795  15.432  -5.327
  185   HD13  LEU  23          HD13      LEU  23   3.229  15.709  -6.314
  186   HD21  LEU  23          HD21      LEU  23   1.649  11.795  -5.593
  187   HD22  LEU  23          HD22      LEU  23   0.929  13.237  -4.878
  188   HD23  LEU  23          HD23      LEU  23   0.698  12.892  -6.616
  189    H    GLU  24           H        GLU  24   5.799  15.721  -6.702
  190    HA   GLU  24           HA       GLU  24   7.082  14.455  -4.387
  191    HB2  GLU  24           HB2      GLU  24   7.642  16.651  -6.140
  192    HB3  GLU  24           HB3      GLU  24   7.209  17.391  -4.598
  193    HG2  GLU  24           HG2      GLU  24   9.179  15.128  -4.981
  194    HG3  GLU  24           HG3      GLU  24   9.622  16.835  -4.976
  195    H    LYS  25           H        LYS  25   5.813  14.107  -2.625
  196    HA   LYS  25           HA       LYS  25   3.151  15.273  -2.559
  197    HB2  LYS  25           HB2      LYS  25   4.657  13.589  -0.528
  198    HB3  LYS  25           HB3      LYS  25   2.984  14.115  -0.360
  199    HG2  LYS  25           HG2      LYS  25   2.302  12.927  -2.358
  200    HG3  LYS  25           HG3      LYS  25   3.970  12.399  -2.687
  201    HD2  LYS  25           HD2      LYS  25   4.060  11.056  -0.731
  202    HD3  LYS  25           HD3      LYS  25   2.586  11.797  -0.053
  203    HE2  LYS  25           HE2      LYS  25   1.294  10.833  -2.025
  204    HE3  LYS  25           HE3      LYS  25   2.749   9.942  -2.471
  205    HZ1  LYS  25           HZ1      LYS  25   1.207   8.604  -1.115
  206    HZ2  LYS  25           HZ2      LYS  25   2.627   8.770  -0.330
  207    HZ3  LYS  25           HZ3      LYS  25   1.316   9.649   0.133
  208    H    ASP  26           H        ASP  26   6.280  16.279  -1.281
  209    HA   ASP  26           HA       ASP  26   5.413  17.589   1.067
  210    HB2  ASP  26           HB2      ASP  26   7.761  17.120   0.563
  211    HB3  ASP  26           HB3      ASP  26   7.712  18.259  -0.794
  212    H    ALA  27           H        ALA  27   5.514  18.712  -2.310
  213    HA   ALA  27           HA       ALA  27   4.079  21.162  -1.530
  214    HB1  ALA  27           HB1      ALA  27   6.040  20.765  -3.821
  215    HB2  ALA  27           HB2      ALA  27   5.179  22.273  -3.427
  216    HB3  ALA  27           HB3      ALA  27   6.375  21.618  -2.297
  217    H    MET  28           H        MET  28   3.575  18.205  -2.999
  218    HA   MET  28           HA       MET  28   2.304  17.341  -4.544
  219    HB2  MET  28           HB2      MET  28   0.417  19.675  -4.087
  220    HB3  MET  28           HB3      MET  28   0.059  18.205  -5.000
  221    HG2  MET  28           HG2      MET  28   0.673  16.873  -2.909
  222    HG3  MET  28           HG3      MET  28   0.721  18.406  -2.049
  223    HE1  MET  28           HE1      MET  28  -3.042  16.249  -3.664
  224    HE2  MET  28           HE2      MET  28  -1.840  16.883  -4.805
  225    HE3  MET  28           HE3      MET  28  -1.385  15.607  -3.647
  226    H    ASP  29           H        ASP  29   4.498  18.497  -5.453
  227    HA   ASP  29           HA       ASP  29   3.810  20.078  -7.863
  228    HB2  ASP  29           HB2      ASP  29   5.570  20.968  -6.266
  229    HB3  ASP  29           HB3      ASP  29   6.569  19.565  -6.705
  230    H    VAL  30           H        VAL  30   4.493  19.251  -9.927
  231    HA   VAL  30           HA       VAL  30   5.061  16.337  -9.844
  232    HB   VAL  30           HB       VAL  30   2.735  17.051 -10.472
  233   HG11  VAL  30          HG11      VAL  30   2.205  17.710 -12.706
  234   HG12  VAL  30          HG12      VAL  30   3.295  18.930 -12.009
  235   HG13  VAL  30          HG13      VAL  30   3.911  17.748 -13.177
  236   HG21  VAL  30          HG21      VAL  30   3.630  14.809 -10.854
  237   HG22  VAL  30          HG22      VAL  30   2.627  15.287 -12.238
  238   HG23  VAL  30          HG23      VAL  30   4.401  15.340 -12.363
  239    H    TRP  31           H        TRP  31   7.006  15.843 -10.438
  240    HA   TRP  31           HA       TRP  31   8.559  17.445 -12.336
  241    HB2  TRP  31           HB2      TRP  31   9.159  14.711 -11.126
  242    HB3  TRP  31           HB3      TRP  31  10.295  15.841 -11.830
  243    HD1  TRP  31           HD1      TRP  31   8.838  14.801  -8.553
  244    HE1  TRP  31           HE1      TRP  31   9.776  16.231  -6.668
  245    HE3  TRP  31           HE3      TRP  31  10.792  18.523 -11.325
  246    HZ2  TRP  31           HZ2      TRP  31  11.383  18.649  -6.392
  247    HZ3  TRP  31           HZ3      TRP  31  12.149  20.354 -10.275
  248    HH2  TRP  31           HH2      TRP  31  12.426  20.422  -7.798
  249    H    CYS  32           H        CYS  32   8.000  17.113 -14.533
  250    HA   CYS  32           HA       CYS  32   7.303  14.321 -15.359
  251    HB2  CYS  32           HB2      CYS  32   6.439  16.972 -16.559
  252    HB3  CYS  32           HB3      CYS  32   6.016  15.359 -17.191
  253    HG   CYS  32           HG       CYS  32   5.339  16.697 -14.245
  254    H    ASN  33           H        ASN  33   8.818  13.447 -16.713
  255    HA   ASN  33           HA       ASN  33  10.860  13.215 -17.669
  256    HB2  ASN  33           HB2      ASN  33   9.596  14.335 -19.527
  257    HB3  ASN  33           HB3      ASN  33  10.288  15.875 -19.030
  258   HD21  ASN  33          HD22      ASN  33  11.244  12.529 -20.103
  259   HD22  ASN  33          HD21      ASN  33  12.702  13.063 -20.902
  260    H    GLY  34           H        GLY  34  10.868  14.237 -15.046
  261    HA2  GLY  34           HA2      GLY  34  12.401  14.904 -13.505
  262    HA3  GLY  34           HA3      GLY  34  13.583  15.079 -14.807
  263    H    LYS  35           H        LYS  35  10.784  17.058 -15.353
  264    HA   LYS  35           HA       LYS  35  12.150  19.487 -14.237
  265    HB2  LYS  35           HB2      LYS  35  10.650  19.112 -16.869
  266    HB3  LYS  35           HB3      LYS  35  11.317  20.642 -16.292
  267    HG2  LYS  35           HG2      LYS  35  13.584  19.871 -16.562
  268    HG3  LYS  35           HG3      LYS  35  13.075  18.199 -16.777
  269    HD2  LYS  35           HD2      LYS  35  11.868  18.879 -18.900
  270    HD3  LYS  35           HD3      LYS  35  12.570  20.488 -18.701
  271    HE2  LYS  35           HE2      LYS  35  13.950  19.304 -20.258
  272    HE3  LYS  35           HE3      LYS  35  14.865  19.453 -18.757
  273    HZ1  LYS  35           HZ1      LYS  35  14.247  17.125 -18.258
  274    HZ2  LYS  35           HZ2      LYS  35  13.438  16.994 -19.676
  275    HZ3  LYS  35           HZ3      LYS  35  15.052  17.237 -19.678
  276    H    LYS  36           H        LYS  36  10.612  20.949 -13.136
  277    HA   LYS  36           HA       LYS  36   8.014  19.692 -12.774
  278    HB2  LYS  36           HB2      LYS  36   7.446  20.962 -11.092
  279    HB3  LYS  36           HB3      LYS  36   9.149  20.748 -10.819
  280    HG2  LYS  36           HG2      LYS  36   8.127  23.272 -12.194
  281    HG3  LYS  36           HG3      LYS  36   7.842  23.061 -10.491
  282    HD2  LYS  36           HD2      LYS  36  10.596  23.031 -11.791
  283    HD3  LYS  36           HD3      LYS  36   9.852  24.422 -11.009
  284    HE2  LYS  36           HE2      LYS  36  10.670  21.819  -9.655
  285    HE3  LYS  36           HE3      LYS  36  11.464  23.387  -9.509
  286    HZ1  LYS  36           HZ1      LYS  36   8.782  22.630  -8.472
  287    HZ2  LYS  36           HZ2      LYS  36  10.105  23.039  -7.607
  288    HZ3  LYS  36           HZ3      LYS  36   9.345  24.191  -8.474
  289    H    LEU  37           H        LEU  37   5.992  20.541 -13.373
  290    HA   LEU  37           HA       LEU  37   5.987  22.800 -15.223
  291    HB2  LEU  37           HB2      LEU  37   4.553  21.658 -16.830
  292    HB3  LEU  37           HB3      LEU  37   6.195  21.036 -16.700
  293    HG   LEU  37           HG       LEU  37   5.355  19.169 -15.312
  294   HD11  LEU  37          HD11      LEU  37   2.939  18.519 -15.544
  295   HD12  LEU  37          HD12      LEU  37   3.181  19.921 -14.517
  296   HD13  LEU  37          HD13      LEU  37   2.603  20.146 -16.181
  297   HD21  LEU  37          HD21      LEU  37   4.427  17.931 -17.297
  298   HD22  LEU  37          HD22      LEU  37   4.248  19.481 -18.142
  299   HD23  LEU  37          HD23      LEU  37   5.865  18.893 -17.671
  300    H    GLU  38           H        GLU  38   3.622  23.447 -15.687
  301    HA   GLU  38           HA       GLU  38   2.666  24.167 -13.122
  302    HB2  GLU  38           HB2      GLU  38   1.038  25.525 -14.276
  303    HB3  GLU  38           HB3      GLU  38   2.632  25.695 -15.011
  304    HG2  GLU  38           HG2      GLU  38   1.918  24.110 -16.835
  305    HG3  GLU  38           HG3      GLU  38   0.310  24.050 -16.111
  306    H    THR  39           H        THR  39   0.694  23.827 -12.130
  307    HA   THR  39           HA       THR  39  -0.981  21.515 -12.945
  308    HB   THR  39           HB       THR  39  -0.955  21.042 -10.385
  309    HG1  THR  39           HG1      THR  39   0.460  22.641  -9.669
  310   HG21  THR  39          HG21      THR  39  -0.269  19.427 -12.057
  311   HG22  THR  39          HG22      THR  39   1.305  20.223 -12.250
  312   HG23  THR  39          HG23      THR  39   0.906  19.394 -10.732
  313    H    ALA  40           H        ALA  40  -3.097  21.613 -12.166
  314    HA   ALA  40           HA       ALA  40  -3.952  24.017 -10.634
  315    HB1  ALA  40           HB1      ALA  40  -4.624  24.417 -12.990
  316    HB2  ALA  40           HB2      ALA  40  -5.402  22.819 -13.041
  317    HB3  ALA  40           HB3      ALA  40  -6.038  24.079 -11.967
  318    H    GLY  41           H        GLY  41  -5.560  23.411  -9.034
  319    HA2  GLY  41           HA2      GLY  41  -5.835  20.450  -8.657
  320    HA3  GLY  41           HA3      GLY  41  -5.516  21.600  -7.351
  321    H    GLU  42           H        GLU  42  -7.926  20.068  -9.222
  322    HA   GLU  42           HA       GLU  42  -9.993  21.970  -8.298
  323    HB2  GLU  42           HB2      GLU  42  -9.916  19.941 -10.534
  324    HB3  GLU  42           HB3      GLU  42 -11.461  20.281  -9.741
  325    HG2  GLU  42           HG2      GLU  42 -11.149  22.695 -10.092
  326    HG3  GLU  42           HG3      GLU  42  -9.628  22.387 -10.950
  327    H    PHE  43           H        PHE  43 -11.805  21.102  -7.126
  328    HA   PHE  43           HA       PHE  43 -11.130  18.618  -5.600
  329    HB2  PHE  43           HB2      PHE  43 -10.828  20.721  -4.287
  330    HB3  PHE  43           HB3      PHE  43 -12.539  21.084  -4.550
  331    HD1  PHE  43           HD1      PHE  43 -10.188  18.561  -3.067
  332    HD2  PHE  43           HD2      PHE  43 -14.220  20.105  -3.134
  333    HE1  PHE  43           HE1      PHE  43 -10.755  17.166  -1.101
  334    HE2  PHE  43           HE2      PHE  43 -14.785  18.700  -1.169
  335    HZ   PHE  43           HZ       PHE  43 -13.058  17.230  -0.147
  336    H    VAL  44           H        VAL  44 -12.726  17.130  -5.372
  337    HA   VAL  44           HA       VAL  44 -15.463  17.774  -6.254
  338    HB   VAL  44           HB       VAL  44 -15.321  15.287  -7.108
  339   HG11  VAL  44          HG11      VAL  44 -15.899  17.180  -8.468
  340   HG12  VAL  44          HG12      VAL  44 -14.182  17.598  -8.709
  341   HG13  VAL  44          HG13      VAL  44 -14.840  16.083  -9.371
  342   HG21  VAL  44          HG21      VAL  44 -12.407  16.008  -7.546
  343   HG22  VAL  44          HG22      VAL  44 -13.027  14.824  -6.364
  344   HG23  VAL  44          HG23      VAL  44 -13.272  14.565  -8.098
  345    H    ASP  45           H        ASP  45 -16.972  16.011  -5.569
  346    HA   ASP  45           HA       ASP  45 -16.628  15.411  -2.754
  347    HB2  ASP  45           HB2      ASP  45 -18.766  16.219  -3.602
  348    HB3  ASP  45           HB3      ASP  45 -18.915  14.796  -4.641
  349    H    ASP  46           H        ASP  46 -14.645  14.260  -3.846
  350    HA   ASP  46           HA       ASP  46 -14.892  11.342  -3.755
  351    HB2  ASP  46           HB2      ASP  46 -15.497  11.600  -6.043
  352    HB3  ASP  46           HB3      ASP  46 -14.384  12.939  -6.283
  353    H    GLY  47           H        GLY  47 -12.925  14.340  -4.274
  354    HA2  GLY  47           HA2      GLY  47 -10.897  13.952  -2.515
  355    HA3  GLY  47           HA3      GLY  47 -10.423  12.972  -3.916
  356    H    THR  48           H        THR  48  -8.709  14.345  -4.501
  357    HA   THR  48           HA       THR  48  -9.501  16.984  -5.610
  358    HB   THR  48           HB       THR  48  -6.691  16.418  -4.757
  359    HG1  THR  48           HG1      THR  48  -7.880  16.086  -2.844
  360   HG21  THR  48          HG21      THR  48  -7.090  18.443  -6.080
  361   HG22  THR  48          HG22      THR  48  -8.295  18.999  -4.899
  362   HG23  THR  48          HG23      THR  48  -6.588  18.856  -4.433
  363    H    GLU  49           H        GLU  49  -8.617  17.425  -7.639
  364    HA   GLU  49           HA       GLU  49  -7.206  15.222  -9.000
  365    HB2  GLU  49           HB2      GLU  49  -9.558  16.796 -10.084
  366    HB3  GLU  49           HB3      GLU  49  -8.483  15.769 -11.067
  367    HG2  GLU  49           HG2      GLU  49  -8.995  13.840  -9.601
  368    HG3  GLU  49           HG3      GLU  49 -10.152  14.816  -8.693
  369    H    THR  50           H        THR  50  -5.205  15.969  -9.262
  370    HA   THR  50           HA       THR  50  -4.739  18.866  -9.736
  371    HB   THR  50           HB       THR  50  -2.907  16.568  -9.014
  372    HG1  THR  50           HG1      THR  50  -4.091  17.482  -7.303
  373   HG21  THR  50          HG21      THR  50  -2.211  19.376  -9.908
  374   HG22  THR  50          HG22      THR  50  -1.157  18.452  -8.796
  375   HG23  THR  50          HG23      THR  50  -1.494  17.835 -10.413
  376    H    HIS  51           H        HIS  51  -5.052  19.372 -11.843
  377    HA   HIS  51           HA       HIS  51  -4.650  17.364 -13.958
  378    HB2  HIS  51           HB2      HIS  51  -5.788  20.189 -14.000
  379    HB3  HIS  51           HB3      HIS  51  -5.699  19.119 -15.392
  380    HD1  HIS  51           HD1      HIS  51  -7.562  17.209 -15.572
  381    HD2  HIS  51           HD2      HIS  51  -7.680  19.604 -12.108
  382    HE1  HIS  51           HE1      HIS  51  -9.760  16.676 -14.405
  383    H    PHE  52           H        PHE  52  -3.242  17.611 -15.688
  384    HA   PHE  52           HA       PHE  52  -1.794  20.035 -16.213
  385    HB2  PHE  52           HB2      PHE  52   0.465  19.033 -16.093
  386    HB3  PHE  52           HB3      PHE  52  -0.267  19.267 -14.534
  387    HD1  PHE  52           HD2      PHE  52  -1.175  17.323 -13.228
  388    HD2  PHE  52           HD1      PHE  52   1.216  16.814 -16.794
  389    HE1  PHE  52           HE2      PHE  52  -0.598  15.041 -12.507
  390    HE2  PHE  52           HE1      PHE  52   1.819  14.508 -16.014
  391    HZ   PHE  52           HZ       PHE  52   0.941  13.645 -13.887
  392    H    SER  53           H        SER  53  -0.073  19.199 -18.133
  393    HA   SER  53           HA       SER  53  -1.263  17.094 -19.743
  394    HB2  SER  53           HB2      SER  53  -1.070  19.913 -20.886
  395    HB3  SER  53           HB3      SER  53  -1.569  18.445 -21.748
  396    HG   SER  53           HG       SER  53  -3.345  19.796 -21.030
  397    H    ILE  54           H        ILE  54   0.149  16.404 -21.396
  398    HA   ILE  54           HA       ILE  54   2.912  17.519 -21.448
  399    HB   ILE  54           HB       ILE  54   2.044  14.629 -21.002
  400   HG12  ILE  54          HG12      ILE  54   4.046  16.235 -19.355
  401   HG13  ILE  54          HG13      ILE  54   2.331  16.317 -19.003
  402   HG21  ILE  54          HG21      ILE  54   4.467  14.033 -21.130
  403   HG22  ILE  54          HG22      ILE  54   3.871  14.649 -22.670
  404   HG23  ILE  54          HG23      ILE  54   4.844  15.701 -21.614
  405   HD11  ILE  54          HD11      ILE  54   3.345  14.745 -17.565
  406   HD12  ILE  54          HD12      ILE  54   2.185  13.929 -18.619
  407   HD13  ILE  54          HD13      ILE  54   3.940  13.767 -18.929
  408    H    GLY  55           H        GLY  55   2.902  18.293 -23.509
  409    HA2  GLY  55           HA2      GLY  55   2.465  18.478 -25.768
  410    HA3  GLY  55           HA3      GLY  55   2.358  16.709 -25.833
  411    H    ASN  56           H        ASN  56   0.439  16.280 -26.836
  412    HA   ASN  56           HA       ASN  56  -1.961  17.880 -26.445
  413    HB2  ASN  56           HB2      ASN  56  -1.363  16.801 -28.605
  414    HB3  ASN  56           HB3      ASN  56  -1.502  15.210 -27.848
  415   HD21  ASN  56          HD22      ASN  56  -3.445  18.223 -28.481
  416   HD22  ASN  56          HD21      ASN  56  -4.960  17.378 -28.666
  417    H    HIS  57           H        HIS  57  -0.539  15.351 -24.565
  418    HA   HIS  57           HA       HIS  57  -3.063  13.941 -24.021
  419    HB2  HIS  57           HB2      HIS  57  -0.309  13.475 -22.821
  420    HB3  HIS  57           HB3      HIS  57  -1.690  12.385 -22.790
  421    HD1  HIS  57           HD1      HIS  57  -2.357  11.349 -25.370
  422    HD2  HIS  57           HD2      HIS  57   1.349  13.277 -24.829
  423    HE1  HIS  57           HE1      HIS  57  -0.914  10.706 -27.364
  424    H    ASP  58           H        ASP  58  -4.400  14.620 -22.366
  425    HA   ASP  58           HA       ASP  58  -3.279  16.375 -20.272
  426    HB2  ASP  58           HB2      ASP  58  -5.294  17.089 -19.702
  427    HB3  ASP  58           HB3      ASP  58  -5.556  16.836 -21.420
  428    H    CYS  59           H        CYS  59  -3.375  15.882 -18.118
  429    HA   CYS  59           HA       CYS  59  -3.594  13.028 -17.346
  430    HB2  CYS  59           HB2      CYS  59  -1.364  14.851 -16.434
  431    HB3  CYS  59           HB3      CYS  59  -1.481  13.096 -16.292
  432    HG   CYS  59           HG       CYS  59  -1.140  14.992 -18.960
  433    H    TYR  60           H        TYR  60  -4.104  12.808 -15.029
  434    HA   TYR  60           HA       TYR  60  -3.867  15.203 -13.483
  435    HB2  TYR  60           HB2      TYR  60  -6.102  15.297 -12.577
  436    HB3  TYR  60           HB3      TYR  60  -6.097  15.555 -14.307
  437    HD1  TYR  60           HD1      TYR  60  -6.713  12.865 -11.746
  438    HD2  TYR  60           HD2      TYR  60  -7.605  14.382 -15.679
  439    HE1  TYR  60           HE1      TYR  60  -8.522  11.205 -11.977
  440    HE2  TYR  60           HE2      TYR  60  -9.536  12.833 -15.842
  441    HH   TYR  60           HH       TYR  60 -10.774  11.130 -14.778
  442    H    ILE  61           H        ILE  61  -3.535  14.805 -11.302
  443    HA   ILE  61           HA       ILE  61  -3.221  11.939 -10.580
  444    HB   ILE  61           HB       ILE  61  -2.294  14.507  -9.295
  445   HG12  ILE  61          HG12      ILE  61  -0.603  12.089 -10.036
  446   HG13  ILE  61          HG13      ILE  61  -1.085  13.225 -11.283
  447   HG21  ILE  61          HG21      ILE  61  -1.300  13.184  -7.483
  448   HG22  ILE  61          HG22      ILE  61  -3.042  13.007  -7.460
  449   HG23  ILE  61          HG23      ILE  61  -2.038  11.693  -8.124
  450   HD11  ILE  61          HD11      ILE  61   0.479  13.958  -8.788
  451   HD12  ILE  61          HD12      ILE  61   1.109  13.821 -10.440
  452   HD13  ILE  61          HD13      ILE  61  -0.062  15.105 -10.039
  453    H    LYS  62           H        LYS  62  -4.910  10.985  -9.630
  454    HA   LYS  62           HA       LYS  62  -7.145  12.592  -8.515
  455    HB2  LYS  62           HB2      LYS  62  -7.336  10.622 -10.237
  456    HB3  LYS  62           HB3      LYS  62  -7.058   9.558  -8.871
  457    HG2  LYS  62           HG2      LYS  62  -9.112  10.455  -7.772
  458    HG3  LYS  62           HG3      LYS  62  -9.304  11.621  -9.080
  459    HD2  LYS  62           HD2      LYS  62  -9.606   9.802 -10.732
  460    HD3  LYS  62           HD3      LYS  62  -9.271   8.592  -9.502
  461    HE2  LYS  62           HE2      LYS  62 -11.674   8.819 -10.094
  462    HE3  LYS  62           HE3      LYS  62 -11.343   9.007  -8.366
  463    HZ1  LYS  62           HZ1      LYS  62 -12.907  10.652  -9.559
  464    HZ2  LYS  62           HZ2      LYS  62 -11.890  11.201  -8.414
  465    HZ3  LYS  62           HZ3      LYS  62 -11.546  11.453 -10.018
  466    H    ALA  63           H        ALA  63  -6.534  13.218  -6.519
  467    HA   ALA  63           HA       ALA  63  -5.170  11.337  -4.689
  468    HB1  ALA  63           HB1      ALA  63  -4.929  13.274  -3.246
  469    HB2  ALA  63           HB2      ALA  63  -4.218  13.584  -4.833
  470    HB3  ALA  63           HB3      ALA  63  -5.804  14.295  -4.413
  471    H    VAL  64           H        VAL  64  -6.880   9.918  -4.340
  472    HA   VAL  64           HA       VAL  64  -9.600  10.879  -4.161
  473    HB   VAL  64           HB       VAL  64  -9.030   8.003  -3.775
  474   HG11  VAL  64          HG11      VAL  64 -11.265   8.967  -4.335
  475   HG12  VAL  64          HG12      VAL  64 -10.630   9.500  -5.903
  476   HG13  VAL  64          HG13      VAL  64 -10.756   7.766  -5.530
  477   HG21  VAL  64          HG21      VAL  64  -8.446   7.439  -6.098
  478   HG22  VAL  64          HG22      VAL  64  -8.054   9.141  -6.398
  479   HG23  VAL  64          HG23      VAL  64  -7.141   8.202  -5.201
  480    H    SER  65           H        SER  65 -10.819  10.900  -2.232
  481    HA   SER  65           HA       SER  65  -9.394  10.263   0.240
  482    HB2  SER  65           HB2      SER  65 -12.118  11.539  -0.106
  483    HB3  SER  65           HB3      SER  65 -11.078  11.544   1.338
  484    HG   SER  65           HG       SER  65 -10.902  13.502   0.123
  485    H    SER  66           H        SER  66 -10.199   8.007  -1.453
  486    HA   SER  66           HA       SER  66 -12.561   6.766  -0.529
  487    HB2  SER  66           HB2      SER  66 -10.058   5.423  -1.629
  488    HB3  SER  66           HB3      SER  66 -11.725   4.832  -1.740
  489    HG   SER  66           HG       SER  66 -12.194   6.422  -3.209
  490    H    GLY  67           H        GLY  67  -9.190   6.603   0.655
  491    HA2  GLY  67           HA2      GLY  67  -9.846   4.612   2.729
  492    HA3  GLY  67           HA3      GLY  67  -8.260   5.301   2.353
  493    H    LYS  68           H        LYS  68 -11.206   7.218   2.827
  494    HA   LYS  68           HA       LYS  68 -11.821   8.840   4.222
  495    HB2  LYS  68           HB2      LYS  68  -9.823   7.920   6.317
  496    HB3  LYS  68           HB3      LYS  68 -11.181   9.011   6.532
  497    HG2  LYS  68           HG2      LYS  68 -12.770   7.192   5.966
  498    HG3  LYS  68           HG3      LYS  68 -11.412   6.059   5.805
  499    HD2  LYS  68           HD2      LYS  68 -10.751   6.565   8.168
  500    HD3  LYS  68           HD3      LYS  68 -12.205   7.548   8.353
  501    HE2  LYS  68           HE2      LYS  68 -12.142   4.570   7.638
  502    HE3  LYS  68           HE3      LYS  68 -12.380   5.215   9.260
  503    HZ1  LYS  68           HZ1      LYS  68 -14.479   4.664   8.264
  504    HZ2  LYS  68           HZ2      LYS  68 -14.427   6.274   8.493
  505    HZ3  LYS  68           HZ3      LYS  68 -14.235   5.645   6.988
  506    H    ARG  69           H        ARG  69 -10.748  10.825   5.500
  507    HA   ARG  69           HA       ARG  69  -9.442  12.175   3.272
  508    HB2  ARG  69           HB2      ARG  69 -10.652  13.055   5.932
  509    HB3  ARG  69           HB3      ARG  69  -9.784  14.178   4.922
  510    HG2  ARG  69           HG2      ARG  69 -12.082  14.474   4.461
  511    HG3  ARG  69           HG3      ARG  69 -11.298  13.811   3.042
  512    HD2  ARG  69           HD2      ARG  69 -13.510  12.856   3.359
  513    HD3  ARG  69           HD3      ARG  69 -12.280  11.593   3.498
  514    HE   ARG  69           HE       ARG  69 -12.925  12.715   6.079
  515   HH11  ARG  69          HH21      ARG  69 -14.410  10.618   3.610
  516   HH12  ARG  69          HH22      ARG  69 -15.401   9.771   4.736
  517   HH21  ARG  69          HH11      ARG  69 -14.236  11.564   7.573
  518   HH22  ARG  69          HH12      ARG  69 -15.309  10.327   7.030
  519    H    LYS  70           H        LYS  70  -7.852  13.990   4.008
  520    HA   LYS  70           HA       LYS  70  -5.691  14.450   4.294
  521    HB2  LYS  70           HB2      LYS  70  -6.698  14.780   6.590
  522    HB3  LYS  70           HB3      LYS  70  -5.971  13.254   7.067
  523    HG2  LYS  70           HG2      LYS  70  -3.858  14.697   5.805
  524    HG3  LYS  70           HG3      LYS  70  -4.779  15.929   6.659
  525    HD2  LYS  70           HD2      LYS  70  -4.555  14.509   8.770
  526    HD3  LYS  70           HD3      LYS  70  -3.560  13.390   7.823
  527    HE2  LYS  70           HE2      LYS  70  -2.051  14.752   9.044
  528    HE3  LYS  70           HE3      LYS  70  -1.939  15.245   7.353
  529    HZ1  LYS  70           HZ1      LYS  70  -3.461  16.691   9.465
  530    HZ2  LYS  70           HZ2      LYS  70  -2.011  17.140   8.870
  531    HZ3  LYS  70           HZ3      LYS  70  -3.319  17.186   7.904
  532    H    GLU  71           H        GLU  71  -4.502  12.037   6.420
  533    HA   GLU  71           HA       GLU  71  -2.634  11.348   4.416
  534    HB2  GLU  71           HB2      GLU  71  -2.227  11.559   6.794
  535    HB3  GLU  71           HB3      GLU  71  -3.200  10.108   7.111
  536    HG2  GLU  71           HG2      GLU  71  -1.553   8.737   5.878
  537    HG3  GLU  71           HG3      GLU  71  -0.640  10.190   5.446
  538    H    GLY  72           H        GLY  72  -5.703   9.927   5.305
  539    HA2  GLY  72           HA2      GLY  72  -5.338   7.242   4.386
  540    HA3  GLY  72           HA3      GLY  72  -6.849   8.152   4.620
  541    H    ILE  73           H        ILE  73  -5.377  10.105   2.643
  542    HA   ILE  73           HA       ILE  73  -6.965   9.495   0.380
  543    HB   ILE  73           HB       ILE  73  -4.833  11.500   1.035
  544   HG12  ILE  73          HG12      ILE  73  -7.789  11.568   0.195
  545   HG13  ILE  73          HG13      ILE  73  -7.247  11.570   1.874
  546   HG21  ILE  73          HG21      ILE  73  -6.223  11.277  -1.681
  547   HG22  ILE  73          HG22      ILE  73  -5.174  12.607  -1.127
  548   HG23  ILE  73          HG23      ILE  73  -4.492  11.012  -1.404
  549   HD11  ILE  73          HD11      ILE  73  -7.927  13.738   1.247
  550   HD12  ILE  73          HD12      ILE  73  -6.151  13.764   1.428
  551   HD13  ILE  73          HD13      ILE  73  -6.905  13.734  -0.196
  552    H    ILE  74           H        ILE  74  -6.550   8.441  -1.461
  553    HA   ILE  74           HA       ILE  74  -4.034   6.916  -1.740
  554    HB   ILE  74           HB       ILE  74  -6.712   6.734  -3.191
  555   HG12  ILE  74          HG12      ILE  74  -6.917   5.973  -0.902
  556   HG13  ILE  74          HG13      ILE  74  -7.069   4.639  -2.023
  557   HG21  ILE  74          HG21      ILE  74  -5.850   4.588  -4.136
  558   HG22  ILE  74          HG22      ILE  74  -5.012   6.010  -4.745
  559   HG23  ILE  74          HG23      ILE  74  -4.236   4.989  -3.513
  560   HD11  ILE  74          HD11      ILE  74  -5.796   3.973  -0.050
  561   HD12  ILE  74          HD12      ILE  74  -4.734   3.922  -1.466
  562   HD13  ILE  74          HD13      ILE  74  -4.622   5.268  -0.308
  563    H    HIS  75           H        HIS  75  -2.640   7.457  -3.554
  564    HA   HIS  75           HA       HIS  75  -3.554   9.768  -5.247
  565    HB2  HIS  75           HB2      HIS  75  -0.767   8.994  -4.328
  566    HB3  HIS  75           HB3      HIS  75  -1.094  10.101  -5.661
  567    HD1  HIS  75           HD1      HIS  75  -1.790   9.931  -1.827
  568    HD2  HIS  75           HD2      HIS  75  -1.625  12.584  -5.092
  569    HE1  HIS  75           HE1      HIS  75  -1.974  12.288  -0.864
  570    H    THR  76           H        THR  76  -3.883   9.257  -7.347
  571    HA   THR  76           HA       THR  76  -2.407   6.986  -8.547
  572    HB   THR  76           HB       THR  76  -5.291   7.605  -9.291
  573    HG1  THR  76           HG1      THR  76  -5.502   7.014  -7.170
  574   HG21  THR  76          HG21      THR  76  -4.116   6.262 -10.897
  575   HG22  THR  76          HG22      THR  76  -3.489   5.178  -9.626
  576   HG23  THR  76          HG23      THR  76  -5.228   5.222  -9.986
  577    H    LEU  77           H        LEU  77  -1.903   7.372 -10.819
  578    HA   LEU  77           HA       LEU  77  -2.395  10.171 -11.719
  579    HB2  LEU  77           HB2      LEU  77  -0.058   9.585 -11.757
  580    HB3  LEU  77           HB3      LEU  77  -0.406   8.070 -12.603
  581    HG   LEU  77           HG       LEU  77  -1.243   9.399 -14.559
  582   HD11  LEU  77          HD11      LEU  77  -1.817  11.539 -13.489
  583   HD12  LEU  77          HD12      LEU  77  -0.128  11.747 -12.961
  584   HD13  LEU  77          HD13      LEU  77  -0.552  11.802 -14.689
  585   HD21  LEU  77          HD21      LEU  77   1.604   9.931 -13.652
  586   HD22  LEU  77          HD22      LEU  77   1.012   8.502 -14.535
  587   HD23  LEU  77          HD23      LEU  77   1.000  10.092 -15.319
  588    H    ILE  78           H        ILE  78  -3.933  10.453 -13.252
  589    HA   ILE  78           HA       ILE  78  -4.788   8.138 -14.842
  590    HB   ILE  78           HB       ILE  78  -6.277  10.478 -13.683
  591   HG12  ILE  78          HG12      ILE  78  -8.093   8.799 -13.382
  592   HG13  ILE  78          HG13      ILE  78  -7.072   7.557 -14.110
  593   HG21  ILE  78          HG21      ILE  78  -6.783  10.895 -15.925
  594   HG22  ILE  78          HG22      ILE  78  -6.981   9.146 -16.307
  595   HG23  ILE  78          HG23      ILE  78  -8.162   9.992 -15.296
  596   HD11  ILE  78          HD11      ILE  78  -7.180   7.539 -11.609
  597   HD12  ILE  78          HD12      ILE  78  -5.544   7.665 -12.252
  598   HD13  ILE  78          HD13      ILE  78  -6.353   9.130 -11.613
  599    H    VAL  79           H        VAL  79  -4.705   8.499 -17.129
  600    HA   VAL  79           HA       VAL  79  -3.989  11.148 -18.135
  601    HB   VAL  79           HB       VAL  79  -2.476   8.628 -18.857
  602   HG11  VAL  79          HG11      VAL  79  -2.083  11.503 -19.803
  603   HG12  VAL  79          HG12      VAL  79  -1.002  10.139 -20.175
  604   HG13  VAL  79          HG13      VAL  79  -2.656  10.143 -20.791
  605   HG21  VAL  79          HG21      VAL  79  -0.514   9.849 -17.855
  606   HG22  VAL  79          HG22      VAL  79  -1.644  11.044 -17.215
  607   HG23  VAL  79          HG23      VAL  79  -1.746   9.351 -16.688
  608    H    ASP  80           H        ASP  80  -5.119  11.591 -20.006
  609    HA   ASP  80           HA       ASP  80  -6.918  11.390 -21.366
  610    HB2  ASP  80           HB2      ASP  80  -5.088  10.474 -22.728
  611    HB3  ASP  80           HB3      ASP  80  -5.509   8.840 -22.204
  612    H    ASN  81           H        ASN  81  -7.508  10.584 -18.810
  613    HA   ASN  81           HA       ASN  81  -9.030   9.660 -17.502
  614    HB2  ASN  81           HB2      ASN  81 -10.556  10.443 -19.357
  615    HB3  ASN  81           HB3      ASN  81 -10.599   8.770 -19.917
  616   HD21  ASN  81          HD22      ASN  81 -12.798   8.290 -19.416
  617   HD22  ASN  81          HD21      ASN  81 -13.433   8.356 -17.791
  618    H    ARG  82           H        ARG  82  -6.870   7.728 -18.961
  619    HA   ARG  82           HA       ARG  82  -7.961   5.194 -17.919
  620    HB2  ARG  82           HB2      ARG  82  -5.545   5.926 -19.656
  621    HB3  ARG  82           HB3      ARG  82  -5.688   4.370 -18.846
  622    HG2  ARG  82           HG2      ARG  82  -6.527   4.001 -20.973
  623    HG3  ARG  82           HG3      ARG  82  -7.923   4.076 -19.869
  624    HD2  ARG  82           HD2      ARG  82  -8.516   6.267 -20.679
  625    HD3  ARG  82           HD3      ARG  82  -7.029   6.369 -21.657
  626    HE   ARG  82           HE       ARG  82  -8.386   4.077 -22.509
  627   HH11  ARG  82          HH11      ARG  82  -8.980   7.575 -22.429
  628   HH12  ARG  82          HH12      ARG  82 -10.082   7.571 -23.770
  629   HH21  ARG  82          HH21      ARG  82  -9.826   4.060 -24.323
  630   HH22  ARG  82          HH22      ARG  82 -10.562   5.523 -24.874
  631    H    GLU  83           H        GLU  83  -6.802   4.036 -16.351
  632    HA   GLU  83           HA       GLU  83  -5.529   5.787 -14.389
  633    HB2  GLU  83           HB2      GLU  83  -7.357   4.545 -13.585
  634    HB3  GLU  83           HB3      GLU  83  -6.751   3.018 -14.267
  635    HG2  GLU  83           HG2      GLU  83  -4.870   3.038 -12.673
  636    HG3  GLU  83           HG3      GLU  83  -5.405   4.610 -12.078
  637    H    ILE  84           H        ILE  84  -3.415   5.622 -13.709
  638    HA   ILE  84           HA       ILE  84  -1.637   3.735 -15.163
  639    HB   ILE  84           HB       ILE  84  -1.054   6.581 -14.252
  640   HG12  ILE  84          HG12      ILE  84  -2.663   6.810 -16.007
  641   HG13  ILE  84          HG13      ILE  84  -1.067   7.270 -16.560
  642   HG21  ILE  84          HG21      ILE  84   0.955   6.405 -15.620
  643   HG22  ILE  84          HG22      ILE  84   0.939   5.161 -14.374
  644   HG23  ILE  84          HG23      ILE  84   0.560   4.727 -16.048
  645   HD11  ILE  84          HD11      ILE  84  -2.412   4.621 -17.218
  646   HD12  ILE  84          HD12      ILE  84  -2.318   6.034 -18.279
  647   HD13  ILE  84          HD13      ILE  84  -0.841   5.176 -17.825
  648    HA   PRO  85           HA       PRO  85  -0.970   2.739 -10.769
  649    HB2  PRO  85           HB2      PRO  85   0.399   0.396 -11.021
  650    HB3  PRO  85           HB3      PRO  85  -1.352   0.536 -11.366
  651    HG2  PRO  85           HG2      PRO  85   0.950   0.613 -13.347
  652    HG3  PRO  85           HG3      PRO  85  -0.558  -0.344 -13.446
  653    HD2  PRO  85           HD2      PRO  85  -0.245   2.068 -14.727
  654    HD3  PRO  85           HD3      PRO  85  -1.825   1.539 -14.071
  655    H    GLU  86           H        GLU  86   0.767   3.059  -9.281
  656    HA   GLU  86           HA       GLU  86   3.025   4.539 -10.281
  657    HB2  GLU  86           HB2      GLU  86   3.481   5.131  -8.176
  658    HB3  GLU  86           HB3      GLU  86   1.747   4.863  -8.069
  659    HG2  GLU  86           HG2      GLU  86   2.198   2.611  -7.070
  660    HG3  GLU  86           HG3      GLU  86   3.940   2.928  -7.187
  661    H    ILE  87           H        ILE  87   5.278   4.002  -9.683
  662    HA   ILE  87           HA       ILE  87   5.904   1.130  -9.621
  663    HB   ILE  87           HB       ILE  87   8.046   1.788 -10.613
  664   HG12  ILE  87          HG12      ILE  87   6.847   4.344 -11.660
  665   HG13  ILE  87          HG13      ILE  87   7.823   4.285 -10.189
  666   HG21  ILE  87          HG21      ILE  87   5.621   2.277 -12.403
  667   HG22  ILE  87          HG22      ILE  87   7.210   1.679 -12.937
  668   HG23  ILE  87          HG23      ILE  87   6.215   0.683 -11.870
  669   HD11  ILE  87          HD11      ILE  87   9.717   3.298 -11.413
  670   HD12  ILE  87          HD12      ILE  87   8.773   3.280 -12.914
  671   HD13  ILE  87          HD13      ILE  87   9.234   4.814 -12.179
  672    H    ALA  88           H        ALA  88   7.712   0.564  -8.366
  673    HA   ALA  88           HA       ALA  88   8.576   2.512  -6.314
  674    HB1  ALA  88           HB1      ALA  88   7.690  -0.346  -5.803
  675    HB2  ALA  88           HB2      ALA  88   8.278   0.797  -4.580
  676    HB3  ALA  88           HB3      ALA  88   6.733   1.104  -5.402
  677    H    SER  89           H        SER  89   9.773   1.531  -8.741
  678    HA   SER  89           HA       SER  89  11.824  -0.389  -8.317
  679    HB2  SER  89           HB2      SER  89  11.913   1.951 -10.254
  680    HB3  SER  89           HB3      SER  89  12.737   0.395 -10.391
  681    HG   SER  89           HG       SER  89  10.868   0.364 -11.692
  Start of MODEL   20
    1    H1   GLU   1           H1       GLU   1  18.787  21.041   4.321
    2    H2   GLU   1           H2       GLU   1  17.273  21.601   4.527
    3    H3   GLU   1           H3       GLU   1  18.532  22.297   5.344
    4    HA   GLU   1           HA       GLU   1  18.903  20.288   6.595
    5    HB2  GLU   1           HB2      GLU   1  15.965  21.114   6.700
    6    HB3  GLU   1           HB3      GLU   1  16.827  20.200   7.935
    7    HG2  GLU   1           HG2      GLU   1  17.359  23.088   7.136
    8    HG3  GLU   1           HG3      GLU   1  16.567  22.524   8.594
    9    H    ASP   2           H        ASP   2  18.137  18.090   7.169
   10    HA   ASP   2           HA       ASP   2  17.510  16.495   4.826
   11    HB2  ASP   2           HB2      ASP   2  18.995  15.635   6.561
   12    HB3  ASP   2           HB3      ASP   2  17.723  15.804   7.778
   13    H    ARG   3           H        ARG   3  15.574  15.373   4.382
   14    HA   ARG   3           HA       ARG   3  13.282  15.630   6.171
   15    HB2  ARG   3           HB2      ARG   3  13.271  17.695   4.623
   16    HB3  ARG   3           HB3      ARG   3  13.118  16.574   3.271
   17    HG2  ARG   3           HG2      ARG   3  10.935  17.275   3.664
   18    HG3  ARG   3           HG3      ARG   3  10.982  15.699   4.439
   19    HD2  ARG   3           HD2      ARG   3  11.474  16.927   6.642
   20    HD3  ARG   3           HD3      ARG   3  11.128  18.433   5.798
   21    HE   ARG   3           HE       ARG   3   9.276  16.464   6.810
   22   HH11  ARG   3          HH21      ARG   3   9.537  18.977   4.289
   23   HH12  ARG   3          HH22      ARG   3   7.836  18.965   3.927
   24   HH21  ARG   3          HH11      ARG   3   7.021  16.585   6.428
   25   HH22  ARG   3          HH12      ARG   3   6.394  17.630   5.184
   26    H    SER   4           H        SER   4  11.913  13.810   5.907
   27    HA   SER   4           HA       SER   4  12.912  11.553   4.506
   28    HB2  SER   4           HB2      SER   4  10.077  12.040   5.517
   29    HB3  SER   4           HB3      SER   4  10.866  10.473   5.239
   30    HG   SER   4           HG       SER   4  10.904  11.094   7.470
   31    H    LYS   5           H        LYS   5  12.385  10.687   2.494
   32    HA   LYS   5           HA       LYS   5  11.102  12.430   0.535
   33    HB2  LYS   5           HB2      LYS   5  13.077  11.031   0.003
   34    HB3  LYS   5           HB3      LYS   5  12.135   9.567   0.318
   35    HG2  LYS   5           HG2      LYS   5  10.609  10.140  -1.545
   36    HG3  LYS   5           HG3      LYS   5  11.512  11.638  -1.839
   37    HD2  LYS   5           HD2      LYS   5  13.560  10.313  -2.312
   38    HD3  LYS   5           HD3      LYS   5  12.650   8.814  -2.032
   39    HE2  LYS   5           HE2      LYS   5  11.113   9.401  -3.902
   40    HE3  LYS   5           HE3      LYS   5  12.024  10.893  -4.182
   41    HZ1  LYS   5           HZ1      LYS   5  13.967   9.532  -4.739
   42    HZ2  LYS   5           HZ2      LYS   5  13.131   8.147  -4.460
   43    HZ3  LYS   5           HZ3      LYS   5  12.712   9.125  -5.700
   44    H    THR   6           H        THR   6   8.981  12.317  -0.112
   45    HA   THR   6           HA       THR   6   7.268  10.033   0.753
   46    HB   THR   6           HB       THR   6   6.466  12.941   1.167
   47    HG1  THR   6           HG1      THR   6   8.148  12.727   2.588
   48   HG21  THR   6          HG21      THR   6   4.736  11.113   1.072
   49   HG22  THR   6          HG22      THR   6   5.512  10.343   2.464
   50   HG23  THR   6          HG23      THR   6   4.784  11.963   2.627
   51    H    THR   7           H        THR   7   7.207   9.324  -1.417
   52    HA   THR   7           HA       THR   7   5.947  11.213  -3.334
   53    HB   THR   7           HB       THR   7   7.659  10.143  -4.979
   54    HG1  THR   7           HG1      THR   7   8.556   8.587  -3.582
   55   HG21  THR   7          HG21      THR   7   9.407  11.803  -4.422
   56   HG22  THR   7          HG22      THR   7   7.788  12.509  -4.363
   57   HG23  THR   7          HG23      THR   7   8.638  12.102  -2.858
   58    H    ASN   8           H        ASN   8   4.806  10.434  -4.997
   59    HA   ASN   8           HA       ASN   8   4.228   7.469  -5.214
   60    HB2  ASN   8           HB2      ASN   8   2.514   9.836  -6.090
   61    HB3  ASN   8           HB3      ASN   8   2.212   8.139  -6.460
   62   HD21  ASN   8          HD22      ASN   8   2.286   6.692  -4.252
   63   HD22  ASN   8          HD21      ASN   8   1.192   7.333  -3.041
   64    H    THR   9           H        THR   9   4.996   6.599  -7.114
   65    HA   THR   9           HA       THR   9   5.868   8.535  -9.183
   66    HB   THR   9           HB       THR   9   7.345   6.044  -8.330
   67    HG1  THR   9           HG1      THR   9   8.787   7.405  -7.446
   68   HG21  THR   9          HG21      THR   9   7.654   6.272 -10.717
   69   HG22  THR   9          HG22      THR   9   7.946   7.999 -10.583
   70   HG23  THR   9          HG23      THR   9   9.123   6.852  -9.910
   71    H    TRP  10           H        TRP  10   5.515   8.040 -11.248
   72    HA   TRP  10           HA       TRP  10   4.205   5.496 -12.024
   73    HB2  TRP  10           HB2      TRP  10   3.276   8.328 -12.717
   74    HB3  TRP  10           HB3      TRP  10   2.620   6.846 -13.410
   75    HD1  TRP  10           HD1      TRP  10   1.152   5.327 -11.769
   76    HE1  TRP  10           HE1      TRP  10  -0.250   5.838  -9.700
   77    HE3  TRP  10           HE3      TRP  10   3.134   9.864 -10.657
   78    HZ2  TRP  10           HZ2      TRP  10  -0.604   8.109  -7.886
   79    HZ3  TRP  10           HZ3      TRP  10   2.152  11.270  -8.884
   80    HH2  TRP  10           HH2      TRP  10   0.268  10.411  -7.487
   81    H    VAL  11           H        VAL  11   4.571   5.121 -14.348
   82    HA   VAL  11           HA       VAL  11   6.409   7.012 -15.619
   83    HB   VAL  11           HB       VAL  11   7.741   5.135 -14.846
   84   HG11  VAL  11          HG11      VAL  11   7.536   2.886 -15.770
   85   HG12  VAL  11          HG12      VAL  11   6.075   3.331 -14.880
   86   HG13  VAL  11          HG13      VAL  11   6.073   3.351 -16.659
   87   HG21  VAL  11          HG21      VAL  11   8.395   6.346 -16.921
   88   HG22  VAL  11          HG22      VAL  11   8.909   4.655 -16.951
   89   HG23  VAL  11          HG23      VAL  11   7.504   5.168 -17.899
   90    H    LEU  12           H        LEU  12   5.990   7.500 -17.731
   91    HA   LEU  12           HA       LEU  12   3.724   6.125 -19.054
   92    HB2  LEU  12           HB2      LEU  12   3.755   8.762 -17.967
   93    HB3  LEU  12           HB3      LEU  12   4.097   9.008 -19.660
   94    HG   LEU  12           HG       LEU  12   1.743   9.185 -19.285
   95   HD11  LEU  12          HD11      LEU  12   2.104   6.457 -20.583
   96   HD12  LEU  12          HD12      LEU  12   0.839   7.658 -20.879
   97   HD13  LEU  12          HD13      LEU  12   2.508   7.991 -21.379
   98   HD21  LEU  12          HD21      LEU  12   0.396   7.372 -18.325
   99   HD22  LEU  12          HD22      LEU  12   1.836   6.375 -18.083
  100   HD23  LEU  12          HD23      LEU  12   1.666   7.879 -17.175
  101    H    HIS  13           H        HIS  13   4.123   5.620 -21.224
  102    HA   HIS  13           HA       HIS  13   6.694   6.505 -22.343
  103    HB2  HIS  13           HB2      HIS  13   6.501   4.099 -22.235
  104    HB3  HIS  13           HB3      HIS  13   4.896   4.149 -22.961
  105    HD1  HIS  13           HD1      HIS  13   8.180   5.780 -24.325
  106    HD2  HIS  13           HD2      HIS  13   5.114   3.050 -25.277
  107    HE1  HIS  13           HE1      HIS  13   8.599   5.029 -26.728
  108    H    MET  14           H        MET  14   6.695   7.862 -24.094
  109    HA   MET  14           HA       MET  14   4.364   7.927 -25.841
  110    HB2  MET  14           HB2      MET  14   5.617  10.527 -24.847
  111    HB3  MET  14           HB3      MET  14   4.416  10.358 -26.111
  112    HG2  MET  14           HG2      MET  14   3.194  11.104 -24.341
  113    HG3  MET  14           HG3      MET  14   2.860   9.375 -24.304
  114    HE1  MET  14           HE1      MET  14   2.892  12.129 -22.140
  115    HE2  MET  14           HE2      MET  14   1.888  10.687 -21.839
  116    HE3  MET  14           HE3      MET  14   3.053  11.243 -20.610
  117    H    ASP  15           H        ASP  15   4.970   7.857 -27.867
  118    HA   ASP  15           HA       ASP  15   6.087   7.703 -29.762
  119    HB2  ASP  15           HB2      ASP  15   6.017  10.099 -29.608
  120    HB3  ASP  15           HB3      ASP  15   7.539  10.132 -28.708
  121    H    GLY  16           H        GLY  16   8.704   8.444 -27.467
  122    HA2  GLY  16           HA2      GLY  16  10.226   6.038 -28.043
  123    HA3  GLY  16           HA3      GLY  16  10.891   7.488 -28.813
  124    H    GLU  17           H        GLU  17   9.203   8.081 -25.791
  125    HA   GLU  17           HA       GLU  17  11.682   8.077 -24.234
  126    HB2  GLU  17           HB2      GLU  17   9.719  10.370 -24.640
  127    HB3  GLU  17           HB3      GLU  17  10.720  10.247 -23.188
  128    HG2  GLU  17           HG2      GLU  17  12.765  10.172 -24.573
  129    HG3  GLU  17           HG3      GLU  17  11.793  10.346 -26.039
  130    H    ASN  18           H        ASN  18  11.239   8.146 -21.934
  131    HA   ASN  18           HA       ASN  18   8.566   7.214 -21.130
  132    HB2  ASN  18           HB2      ASN  18  11.234   6.004 -20.371
  133    HB3  ASN  18           HB3      ASN  18   9.918   6.047 -19.205
  134   HD21  ASN  18          HD22      ASN  18  10.762   4.842 -22.498
  135   HD22  ASN  18          HD21      ASN  18   9.554   3.581 -22.505
  136    H    PHE  19           H        PHE  19   7.728   8.512 -19.640
  137    HA   PHE  19           HA       PHE  19   9.454  10.585 -18.373
  138    HB2  PHE  19           HB2      PHE  19   6.476  10.546 -18.998
  139    HB3  PHE  19           HB3      PHE  19   7.340  11.843 -18.185
  140    HD1  PHE  19           HD1      PHE  19   8.964  13.274 -19.427
  141    HD2  PHE  19           HD2      PHE  19   6.745  10.155 -21.405
  142    HE1  PHE  19           HE1      PHE  19   9.639  14.191 -21.634
  143    HE2  PHE  19           HE2      PHE  19   7.444  11.063 -23.609
  144    HZ   PHE  19           HZ       PHE  19   8.885  13.079 -23.728
  145    H    ARG  20           H        ARG  20  10.029   9.943 -16.349
  146    HA   ARG  20           HA       ARG  20   8.253   8.345 -14.677
  147    HB2  ARG  20           HB2      ARG  20  11.054   9.014 -14.630
  148    HB3  ARG  20           HB3      ARG  20  10.343   9.796 -13.227
  149    HG2  ARG  20           HG2      ARG  20  11.009   7.729 -12.394
  150    HG3  ARG  20           HG3      ARG  20   9.269   7.578 -12.625
  151    HD2  ARG  20           HD2      ARG  20  10.314   5.552 -13.357
  152    HD3  ARG  20           HD3      ARG  20   9.721   6.387 -14.804
  153    HE   ARG  20           HE       ARG  20  12.375   7.220 -14.439
  154   HH11  ARG  20          HH11      ARG  20  10.817   4.063 -14.979
  155   HH12  ARG  20          HH12      ARG  20  12.143   3.422 -15.878
  156   HH21  ARG  20          HH21      ARG  20  14.126   6.358 -15.645
  157   HH22  ARG  20          HH22      ARG  20  14.066   4.741 -16.235
  158    H    ILE  21           H        ILE  21   6.570   9.299 -13.640
  159    HA   ILE  21           HA       ILE  21   6.566  12.214 -13.233
  160    HB   ILE  21           HB       ILE  21   4.359  10.145 -13.138
  161   HG12  ILE  21          HG12      ILE  21   5.031  10.758 -15.394
  162   HG13  ILE  21          HG13      ILE  21   3.384  11.280 -15.041
  163   HG21  ILE  21          HG21      ILE  21   3.950  11.846 -11.355
  164   HG22  ILE  21          HG22      ILE  21   4.082  13.120 -12.575
  165   HG23  ILE  21          HG23      ILE  21   2.764  11.921 -12.656
  166   HD11  ILE  21          HD11      ILE  21   4.140  13.611 -14.840
  167   HD12  ILE  21          HD12      ILE  21   5.837  13.097 -15.034
  168   HD13  ILE  21          HD13      ILE  21   4.701  12.896 -16.361
  169    H    VAL  22           H        VAL  22   6.931  12.829 -11.073
  170    HA   VAL  22           HA       VAL  22   6.433  10.813  -9.003
  171    HB   VAL  22           HB       VAL  22   8.838  12.667  -9.028
  172   HG11  VAL  22          HG11      VAL  22   7.940  12.156  -6.772
  173   HG12  VAL  22          HG12      VAL  22   8.009  10.420  -7.147
  174   HG13  VAL  22          HG13      VAL  22   9.508  11.373  -7.025
  175   HG21  VAL  22          HG21      VAL  22  10.223  10.644  -9.247
  176   HG22  VAL  22          HG22      VAL  22   8.761   9.658  -9.427
  177   HG23  VAL  22          HG23      VAL  22   9.200  10.866 -10.668
  178    H    LEU  23           H        LEU  23   4.843  11.597  -7.789
  179    HA   LEU  23           HA       LEU  23   4.365  14.548  -7.582
  180    HB2  LEU  23           HB2      LEU  23   2.351  13.299  -7.867
  181    HB3  LEU  23           HB3      LEU  23   2.872  12.044  -6.746
  182    HG   LEU  23           HG       LEU  23   2.725  13.674  -4.838
  183   HD11  LEU  23          HD11      LEU  23   2.874  15.804  -6.069
  184   HD12  LEU  23          HD12      LEU  23   1.292  15.471  -6.830
  185   HD13  LEU  23          HD13      LEU  23   1.427  15.698  -5.075
  186   HD21  LEU  23          HD21      LEU  23   0.363  13.549  -4.555
  187   HD22  LEU  23          HD22      LEU  23   0.112  13.293  -6.289
  188   HD23  LEU  23          HD23      LEU  23   0.937  12.060  -5.305
  189    H    GLU  24           H        GLU  24   5.471  15.566  -5.909
  190    HA   GLU  24           HA       GLU  24   6.503  14.046  -3.623
  191    HB2  GLU  24           HB2      GLU  24   7.228  16.438  -5.034
  192    HB3  GLU  24           HB3      GLU  24   6.669  16.974  -3.459
  193    HG2  GLU  24           HG2      GLU  24   8.676  14.791  -4.045
  194    HG3  GLU  24           HG3      GLU  24   9.088  16.431  -3.536
  195    H    LYS  25           H        LYS  25   5.138  13.584  -2.001
  196    HA   LYS  25           HA       LYS  25   2.410  14.494  -2.165
  197    HB2  LYS  25           HB2      LYS  25   3.875  12.803  -0.156
  198    HB3  LYS  25           HB3      LYS  25   2.144  13.170  -0.067
  199    HG2  LYS  25           HG2      LYS  25   1.686  12.122  -2.190
  200    HG3  LYS  25           HG3      LYS  25   3.409  11.912  -2.541
  201    HD2  LYS  25           HD2      LYS  25   2.516   9.816  -1.846
  202    HD3  LYS  25           HD3      LYS  25   3.650  10.400  -0.638
  203    HE2  LYS  25           HE2      LYS  25   1.688  11.186   0.760
  204    HE3  LYS  25           HE3      LYS  25   0.591  10.599  -0.490
  205    HZ1  LYS  25           HZ1      LYS  25   1.365   8.332  -0.025
  206    HZ2  LYS  25           HZ2      LYS  25   2.415   8.872   1.117
  207    HZ3  LYS  25           HZ3      LYS  25   0.815   9.019   1.345
  208    H    ASP  26           H        ASP  26   5.237  15.574  -0.278
  209    HA   ASP  26           HA       ASP  26   3.671  16.799   1.811
  210    HB2  ASP  26           HB2      ASP  26   5.977  16.063   2.203
  211    HB3  ASP  26           HB3      ASP  26   6.565  17.234   1.009
  212    H    ALA  27           H        ALA  27   5.403  17.997  -1.081
  213    HA   ALA  27           HA       ALA  27   4.456  20.709  -0.663
  214    HB1  ALA  27           HB1      ALA  27   6.186  19.494  -2.858
  215    HB2  ALA  27           HB2      ALA  27   5.926  21.227  -2.571
  216    HB3  ALA  27           HB3      ALA  27   6.775  20.250  -1.357
  217    H    MET  28           H        MET  28   3.367  17.933  -2.445
  218    HA   MET  28           HA       MET  28   1.989  17.523  -4.065
  219    HB2  MET  28           HB2      MET  28   0.578  20.077  -3.282
  220    HB3  MET  28           HB3      MET  28  -0.046  18.915  -4.449
  221    HG2  MET  28           HG2      MET  28   0.623  18.312  -1.559
  222    HG3  MET  28           HG3      MET  28  -0.995  18.577  -2.200
  223    HE1  MET  28           HE1      MET  28  -2.326  16.833  -3.715
  224    HE2  MET  28           HE2      MET  28  -1.036  16.836  -4.945
  225    HE3  MET  28           HE3      MET  28  -1.639  15.302  -4.290
  226    H    ASP  29           H        ASP  29   4.470  18.703  -4.649
  227    HA   ASP  29           HA       ASP  29   4.042  20.168  -7.186
  228    HB2  ASP  29           HB2      ASP  29   5.895  20.988  -5.744
  229    HB3  ASP  29           HB3      ASP  29   6.632  19.374  -5.811
  230    H    VAL  30           H        VAL  30   4.707  19.116  -9.172
  231    HA   VAL  30           HA       VAL  30   5.144  16.188  -8.907
  232    HB   VAL  30           HB       VAL  30   3.444  17.529 -11.009
  233   HG11  VAL  30          HG11      VAL  30   4.094  14.594 -10.525
  234   HG12  VAL  30          HG12      VAL  30   2.938  15.227 -11.729
  235   HG13  VAL  30          HG13      VAL  30   4.662  15.583 -11.896
  236   HG21  VAL  30          HG21      VAL  30   1.565  16.398 -10.073
  237   HG22  VAL  30          HG22      VAL  30   2.575  15.647  -8.807
  238   HG23  VAL  30          HG23      VAL  30   2.275  17.403  -8.814
  239    H    TRP  31           H        TRP  31   7.073  15.718  -9.485
  240    HA   TRP  31           HA       TRP  31   8.664  17.292 -11.340
  241    HB2  TRP  31           HB2      TRP  31   9.362  14.577 -10.192
  242    HB3  TRP  31           HB3      TRP  31  10.431  15.869 -10.664
  243    HD1  TRP  31           HD1      TRP  31   8.614  14.428  -7.680
  244    HE1  TRP  31           HE1      TRP  31   9.306  15.621  -5.561
  245    HE3  TRP  31           HE3      TRP  31  10.944  18.417  -9.767
  246    HZ2  TRP  31           HZ2      TRP  31  10.820  17.973  -4.813
  247    HZ3  TRP  31           HZ3      TRP  31  12.117  20.100  -8.322
  248    HH2  TRP  31           HH2      TRP  31  12.041  19.886  -5.851
  249    H    CYS  32           H        CYS  32   8.783  16.737 -13.542
  250    HA   CYS  32           HA       CYS  32   8.035  13.956 -14.360
  251    HB2  CYS  32           HB2      CYS  32   6.455  15.593 -15.236
  252    HB3  CYS  32           HB3      CYS  32   7.802  16.559 -15.922
  253    HG   CYS  32           HG       CYS  32   6.590  15.333 -17.863
  254    H    ASN  33           H        ASN  33   9.850  12.858 -14.781
  255    HA   ASN  33           HA       ASN  33  12.084  12.421 -14.888
  256    HB2  ASN  33           HB2      ASN  33  11.639  14.109 -17.368
  257    HB3  ASN  33           HB3      ASN  33  13.226  13.439 -17.009
  258   HD21  ASN  33          HD22      ASN  33  12.202  12.557 -19.365
  259   HD22  ASN  33          HD21      ASN  33  11.665  10.896 -19.180
  260    H    GLY  34           H        GLY  34  11.600  14.152 -12.896
  261    HA2  GLY  34           HA2      GLY  34  12.889  15.232 -11.341
  262    HA3  GLY  34           HA3      GLY  34  14.214  15.302 -12.501
  263    H    LYS  35           H        LYS  35  11.886  16.785 -14.294
  264    HA   LYS  35           HA       LYS  35  12.665  19.489 -13.328
  265    HB2  LYS  35           HB2      LYS  35  11.242  18.571 -15.867
  266    HB3  LYS  35           HB3      LYS  35  11.630  20.244 -15.457
  267    HG2  LYS  35           HG2      LYS  35  14.047  19.693 -15.411
  268    HG3  LYS  35           HG3      LYS  35  13.675  18.014 -15.862
  269    HD2  LYS  35           HD2      LYS  35  12.649  18.805 -17.976
  270    HD3  LYS  35           HD3      LYS  35  13.028  20.488 -17.528
  271    HE2  LYS  35           HE2      LYS  35  15.449  19.914 -17.452
  272    HE3  LYS  35           HE3      LYS  35  15.073  18.243 -17.894
  273    HZ1  LYS  35           HZ1      LYS  35  14.557  20.615 -19.605
  274    HZ2  LYS  35           HZ2      LYS  35  15.754  19.531 -19.823
  275    HZ3  LYS  35           HZ3      LYS  35  14.199  19.070 -20.015
  276    H    LYS  36           H        LYS  36  11.102  20.926 -12.402
  277    HA   LYS  36           HA       LYS  36   8.618  19.761 -11.508
  278    HB2  LYS  36           HB2      LYS  36   9.442  22.688 -11.666
  279    HB3  LYS  36           HB3      LYS  36   8.112  22.046 -10.697
  280    HG2  LYS  36           HG2      LYS  36   9.503  21.244  -9.032
  281    HG3  LYS  36           HG3      LYS  36  10.825  20.882 -10.132
  282    HD2  LYS  36           HD2      LYS  36  11.493  22.658  -8.685
  283    HD3  LYS  36           HD3      LYS  36  11.383  23.228 -10.362
  284    HE2  LYS  36           HE2      LYS  36   9.158  24.255  -9.849
  285    HE3  LYS  36           HE3      LYS  36   9.248  23.635  -8.195
  286    HZ1  LYS  36           HZ1      LYS  36   9.919  25.957  -8.300
  287    HZ2  LYS  36           HZ2      LYS  36  11.197  25.052  -7.837
  288    HZ3  LYS  36           HZ3      LYS  36  11.107  25.634  -9.366
  289    H    LEU  37           H        LEU  37   6.499  20.157 -12.333
  290    HA   LEU  37           HA       LEU  37   6.297  21.864 -14.710
  291    HB2  LEU  37           HB2      LEU  37   4.672  20.424 -15.775
  292    HB3  LEU  37           HB3      LEU  37   6.295  19.756 -15.646
  293    HG   LEU  37           HG       LEU  37   5.584  18.384 -13.753
  294   HD11  LEU  37          HD11      LEU  37   2.791  19.370 -14.458
  295   HD12  LEU  37          HD12      LEU  37   3.087  17.878 -13.529
  296   HD13  LEU  37          HD13      LEU  37   3.586  19.429 -12.869
  297   HD21  LEU  37          HD21      LEU  37   3.964  17.995 -16.312
  298   HD22  LEU  37          HD22      LEU  37   5.673  17.562 -16.087
  299   HD23  LEU  37          HD23      LEU  37   4.422  16.717 -15.153
  300    H    GLU  38           H        GLU  38   4.027  22.552 -15.115
  301    HA   GLU  38           HA       GLU  38   3.109  23.840 -12.715
  302    HB2  GLU  38           HB2      GLU  38   1.621  25.061 -14.207
  303    HB3  GLU  38           HB3      GLU  38   3.271  25.043 -14.839
  304    HG2  GLU  38           HG2      GLU  38   2.593  23.140 -16.375
  305    HG3  GLU  38           HG3      GLU  38   0.935  23.337 -15.814
  306    H    THR  39           H        THR  39   1.027  23.671 -11.780
  307    HA   THR  39           HA       THR  39  -0.705  21.396 -12.574
  308    HB   THR  39           HB       THR  39  -0.853  20.974 -10.013
  309    HG1  THR  39           HG1      THR  39   0.619  22.536  -9.272
  310   HG21  THR  39          HG21      THR  39   1.536  19.975 -11.615
  311   HG22  THR  39          HG22      THR  39   0.815  19.196 -10.195
  312   HG23  THR  39          HG23      THR  39  -0.118  19.330 -11.699
  313    H    ALA  40           H        ALA  40  -2.837  21.602 -11.950
  314    HA   ALA  40           HA       ALA  40  -3.701  24.002 -10.443
  315    HB1  ALA  40           HB1      ALA  40  -4.155  24.515 -12.830
  316    HB2  ALA  40           HB2      ALA  40  -4.988  22.951 -13.009
  317    HB3  ALA  40           HB3      ALA  40  -5.666  24.206 -11.945
  318    H    GLY  41           H        GLY  41  -5.457  23.417  -9.006
  319    HA2  GLY  41           HA2      GLY  41  -5.883  20.461  -8.763
  320    HA3  GLY  41           HA3      GLY  41  -5.669  21.563  -7.395
  321    H    GLU  42           H        GLU  42  -7.931  20.165  -9.527
  322    HA   GLU  42           HA       GLU  42 -10.002  22.128  -8.771
  323    HB2  GLU  42           HB2      GLU  42  -9.820  20.087 -10.990
  324    HB3  GLU  42           HB3      GLU  42 -11.408  20.472 -10.303
  325    HG2  GLU  42           HG2      GLU  42 -11.013  22.875 -10.636
  326    HG3  GLU  42           HG3      GLU  42  -9.447  22.527 -11.390
  327    H    PHE  43           H        PHE  43 -11.871  21.361  -7.683
  328    HA   PHE  43           HA       PHE  43 -11.388  18.882  -6.074
  329    HB2  PHE  43           HB2      PHE  43 -12.678  21.486  -5.195
  330    HB3  PHE  43           HB3      PHE  43 -12.605  20.005  -4.254
  331    HD1  PHE  43           HD2      PHE  43 -10.423  19.159  -3.357
  332    HD2  PHE  43           HD1      PHE  43 -10.712  22.933  -5.436
  333    HE1  PHE  43           HE2      PHE  43  -8.217  19.831  -2.449
  334    HE2  PHE  43           HE1      PHE  43  -8.498  23.595  -4.537
  335    HZ   PHE  43           HZ       PHE  43  -7.244  22.046  -3.036
  336    H    VAL  44           H        VAL  44 -13.016  17.429  -5.986
  337    HA   VAL  44           HA       VAL  44 -15.681  18.147  -7.040
  338    HB   VAL  44           HB       VAL  44 -15.610  15.637  -7.760
  339   HG11  VAL  44          HG11      VAL  44 -15.945  17.500  -9.248
  340   HG12  VAL  44          HG12      VAL  44 -14.183  17.786  -9.351
  341   HG13  VAL  44          HG13      VAL  44 -14.889  16.288 -10.007
  342   HG21  VAL  44          HG21      VAL  44 -13.416  15.071  -6.802
  343   HG22  VAL  44          HG22      VAL  44 -13.529  14.735  -8.534
  344   HG23  VAL  44          HG23      VAL  44 -12.630  16.155  -7.974
  345    H    ASP  45           H        ASP  45 -17.305  16.505  -6.376
  346    HA   ASP  45           HA       ASP  45 -17.204  16.127  -3.500
  347    HB2  ASP  45           HB2      ASP  45 -19.230  16.970  -4.594
  348    HB3  ASP  45           HB3      ASP  45 -19.380  15.457  -5.499
  349    H    ASP  46           H        ASP  46 -15.210  14.769  -4.373
  350    HA   ASP  46           HA       ASP  46 -15.670  11.902  -4.000
  351    HB2  ASP  46           HB2      ASP  46 -16.168  12.091  -6.383
  352    HB3  ASP  46           HB3      ASP  46 -14.749  13.098  -6.651
  353    H    GLY  47           H        GLY  47 -13.472  14.678  -4.752
  354    HA2  GLY  47           HA2      GLY  47 -11.494  14.251  -2.901
  355    HA3  GLY  47           HA3      GLY  47 -11.076  13.201  -4.268
  356    H    THR  48           H        THR  48  -9.296  14.374  -4.984
  357    HA   THR  48           HA       THR  48  -9.851  17.085  -6.075
  358    HB   THR  48           HB       THR  48  -7.125  16.220  -5.145
  359    HG1  THR  48           HG1      THR  48  -8.426  16.093  -3.285
  360   HG21  THR  48          HG21      THR  48  -6.755  18.653  -4.863
  361   HG22  THR  48          HG22      THR  48  -7.150  18.217  -6.530
  362   HG23  THR  48          HG23      THR  48  -8.385  18.959  -5.484
  363    H    GLU  49           H        GLU  49  -8.796  17.518  -8.057
  364    HA   GLU  49           HA       GLU  49  -7.479  15.278  -9.432
  365    HB2  GLU  49           HB2      GLU  49  -9.631  17.080 -10.595
  366    HB3  GLU  49           HB3      GLU  49  -8.596  15.997 -11.545
  367    HG2  GLU  49           HG2      GLU  49  -9.453  14.045 -10.322
  368    HG3  GLU  49           HG3      GLU  49 -10.494  15.073  -9.339
  369    H    THR  50           H        THR  50  -5.419  15.986  -9.497
  370    HA   THR  50           HA       THR  50  -4.843  18.865  -9.830
  371    HB   THR  50           HB       THR  50  -3.134  16.481  -9.100
  372    HG1  THR  50           HG1      THR  50  -3.170  17.467  -7.075
  373   HG21  THR  50          HG21      THR  50  -1.664  17.953 -10.305
  374   HG22  THR  50          HG22      THR  50  -2.335  19.393  -9.507
  375   HG23  THR  50          HG23      THR  50  -1.359  18.210  -8.587
  376    H    HIS  51           H        HIS  51  -4.915  19.474 -11.960
  377    HA   HIS  51           HA       HIS  51  -4.428  17.485 -14.086
  378    HB2  HIS  51           HB2      HIS  51  -5.552  20.313 -14.122
  379    HB3  HIS  51           HB3      HIS  51  -5.322  19.318 -15.554
  380    HD1  HIS  51           HD1      HIS  51  -7.113  17.368 -15.985
  381    HD2  HIS  51           HD2      HIS  51  -7.619  19.623 -12.458
  382    HE1  HIS  51           HE1      HIS  51  -9.398  16.745 -15.047
  383    H    PHE  52           H        PHE  52  -2.942  17.744 -15.739
  384    HA   PHE  52           HA       PHE  52  -1.426  20.136 -16.176
  385    HB2  PHE  52           HB2      PHE  52   0.816  19.108 -15.906
  386    HB3  PHE  52           HB3      PHE  52  -0.039  19.362 -14.408
  387    HD1  PHE  52           HD2      PHE  52  -0.913  17.509 -13.049
  388    HD2  PHE  52           HD1      PHE  52   1.464  16.835 -16.594
  389    HE1  PHE  52           HE2      PHE  52  -0.377  15.237 -12.253
  390    HE2  PHE  52           HE1      PHE  52   1.984  14.538 -15.778
  391    HZ   PHE  52           HZ       PHE  52   1.103  13.752 -13.607
  392    H    SER  53           H        SER  53   0.409  19.244 -18.015
  393    HA   SER  53           HA       SER  53  -0.911  17.320 -19.804
  394    HB2  SER  53           HB2      SER  53  -0.328  20.178 -20.687
  395    HB3  SER  53           HB3      SER  53  -0.966  18.872 -21.691
  396    HG   SER  53           HG       SER  53  -2.611  20.323 -20.916
  397    H    ILE  54           H        ILE  54   0.501  16.481 -21.393
  398    HA   ILE  54           HA       ILE  54   3.344  17.278 -21.369
  399    HB   ILE  54           HB       ILE  54   2.326  14.475 -20.666
  400   HG12  ILE  54          HG12      ILE  54   4.061  16.388 -19.029
  401   HG13  ILE  54          HG13      ILE  54   2.342  16.095 -18.751
  402   HG21  ILE  54          HG21      ILE  54   4.696  13.780 -20.614
  403   HG22  ILE  54          HG22      ILE  54   4.299  14.391 -22.203
  404   HG23  ILE  54          HG23      ILE  54   5.213  15.415 -21.070
  405   HD11  ILE  54          HD11      ILE  54   3.632  14.878 -17.169
  406   HD12  ILE  54          HD12      ILE  54   2.726  13.763 -18.215
  407   HD13  ILE  54          HD13      ILE  54   4.487  13.992 -18.439
  408    H    GLY  55           H        GLY  55   4.074  17.136 -23.503
  409    HA2  GLY  55           HA2      GLY  55   3.989  16.769 -25.778
  410    HA3  GLY  55           HA3      GLY  55   3.185  15.229 -25.419
  411    H    ASN  56           H        ASN  56   1.305  15.138 -26.557
  412    HA   ASN  56           HA       ASN  56  -0.478  17.512 -26.612
  413    HB2  ASN  56           HB2      ASN  56   0.372  16.745 -28.850
  414    HB3  ASN  56           HB3      ASN  56  -0.442  15.202 -28.578
  415   HD21  ASN  56          HD22      ASN  56  -1.740  15.655 -30.528
  416   HD22  ASN  56          HD21      ASN  56  -3.065  16.794 -30.461
  417    H    HIS  57           H        HIS  57  -0.266  15.840 -24.306
  418    HA   HIS  57           HA       HIS  57  -2.901  14.455 -24.290
  419    HB2  HIS  57           HB2      HIS  57  -0.462  13.496 -22.770
  420    HB3  HIS  57           HB3      HIS  57  -1.978  12.648 -23.043
  421    HD1  HIS  57           HD1      HIS  57  -2.281  11.860 -25.812
  422    HD2  HIS  57           HD2      HIS  57   1.504  13.036 -24.381
  423    HE1  HIS  57           HE1      HIS  57  -0.571  11.009 -27.504
  424    H    ASP  58           H        ASP  58  -4.022  14.666 -22.297
  425    HA   ASP  58           HA       ASP  58  -2.842  16.566 -20.347
  426    HB2  ASP  58           HB2      ASP  58  -4.824  17.269 -19.653
  427    HB3  ASP  58           HB3      ASP  58  -5.183  17.033 -21.361
  428    H    CYS  59           H        CYS  59  -2.945  16.028 -18.141
  429    HA   CYS  59           HA       CYS  59  -3.215  13.161 -17.456
  430    HB2  CYS  59           HB2      CYS  59  -0.994  14.865 -16.350
  431    HB3  CYS  59           HB3      CYS  59  -1.164  13.104 -16.318
  432    HG   CYS  59           HG       CYS  59  -0.602  15.143 -18.833
  433    H    TYR  60           H        TYR  60  -3.859  12.907 -15.180
  434    HA   TYR  60           HA       TYR  60  -3.719  15.277 -13.586
  435    HB2  TYR  60           HB2      TYR  60  -6.035  15.354 -12.841
  436    HB3  TYR  60           HB3      TYR  60  -5.861  15.684 -14.552
  437    HD1  TYR  60           HD1      TYR  60  -6.865  12.944 -12.175
  438    HD2  TYR  60           HD2      TYR  60  -7.158  14.604 -16.141
  439    HE1  TYR  60           HE1      TYR  60  -8.749  11.417 -12.661
  440    HE2  TYR  60           HE2      TYR  60  -9.136  13.180 -16.600
  441    HH   TYR  60           HH       TYR  60 -10.491  10.894 -14.184
  442    H    ILE  61           H        ILE  61  -3.502  14.842 -11.389
  443    HA   ILE  61           HA       ILE  61  -3.376  11.941 -10.710
  444    HB   ILE  61           HB       ILE  61  -2.501  14.380  -9.153
  445   HG12  ILE  61          HG12      ILE  61  -0.706  12.102 -10.062
  446   HG13  ILE  61          HG13      ILE  61  -1.125  13.363 -11.211
  447   HG21  ILE  61          HG21      ILE  61  -3.335  12.672  -7.585
  448   HG22  ILE  61          HG22      ILE  61  -2.376  11.417  -8.401
  449   HG23  ILE  61          HG23      ILE  61  -1.581  12.728  -7.512
  450   HD11  ILE  61          HD11      ILE  61   0.972  13.934 -10.141
  451   HD12  ILE  61          HD12      ILE  61  -0.277  15.106  -9.662
  452   HD13  ILE  61          HD13      ILE  61   0.230  13.825  -8.532
  453    H    LYS  62           H        LYS  62  -5.204  11.065  -9.990
  454    HA   LYS  62           HA       LYS  62  -7.397  12.773  -8.937
  455    HB2  LYS  62           HB2      LYS  62  -7.738  10.930 -10.687
  456    HB3  LYS  62           HB3      LYS  62  -7.348   9.757  -9.424
  457    HG2  LYS  62           HG2      LYS  62  -9.278  10.617  -8.093
  458    HG3  LYS  62           HG3      LYS  62  -9.625  11.800  -9.361
  459    HD2  LYS  62           HD2      LYS  62  -9.969   9.951 -11.001
  460    HD3  LYS  62           HD3      LYS  62  -9.645   8.763  -9.723
  461    HE2  LYS  62           HE2      LYS  62 -11.571   9.665  -8.403
  462    HE3  LYS  62           HE3      LYS  62 -11.896  10.844  -9.675
  463    HZ1  LYS  62           HZ1      LYS  62 -12.074   7.892 -10.014
  464    HZ2  LYS  62           HZ2      LYS  62 -13.336   8.915  -9.862
  465    HZ3  LYS  62           HZ3      LYS  62 -12.390   8.998 -11.186
  466    H    ALA  63           H        ALA  63  -7.581  12.956  -6.761
  467    HA   ALA  63           HA       ALA  63  -5.997  11.157  -5.011
  468    HB1  ALA  63           HB1      ALA  63  -4.918  13.370  -5.267
  469    HB2  ALA  63           HB2      ALA  63  -6.424  14.152  -4.727
  470    HB3  ALA  63           HB3      ALA  63  -5.517  13.103  -3.627
  471    H    VAL  64           H        VAL  64  -7.702   9.866  -4.371
  472    HA   VAL  64           HA       VAL  64 -10.342  11.046  -4.065
  473    HB   VAL  64           HB       VAL  64  -9.760   8.107  -3.590
  474   HG11  VAL  64          HG11      VAL  64 -11.972   7.841  -4.610
  475   HG12  VAL  64          HG12      VAL  64 -12.034   8.989  -3.267
  476   HG13  VAL  64          HG13      VAL  64 -12.049   9.586  -4.939
  477   HG21  VAL  64          HG21      VAL  64 -10.002   7.621  -5.996
  478   HG22  VAL  64          HG22      VAL  64  -9.873   9.357  -6.351
  479   HG23  VAL  64          HG23      VAL  64  -8.503   8.458  -5.629
  480    H    SER  65           H        SER  65 -11.153  11.611  -2.030
  481    HA   SER  65           HA       SER  65  -9.754  10.874   0.387
  482    HB2  SER  65           HB2      SER  65 -12.379  12.363   0.101
  483    HB3  SER  65           HB3      SER  65 -11.241  12.387   1.468
  484    HG   SER  65           HG       SER  65 -10.977  14.234   0.143
  485    H    SER  66           H        SER  66 -10.354   8.522  -0.687
  486    HA   SER  66           HA       SER  66 -12.859   7.351   0.033
  487    HB2  SER  66           HB2      SER  66 -10.119   6.114  -0.486
  488    HB3  SER  66           HB3      SER  66 -11.664   5.236  -0.454
  489    HG   SER  66           HG       SER  66 -11.241   5.718  -2.578
  490    H    GLY  67           H        GLY  67 -13.192   5.658   1.656
  491    HA2  GLY  67           HA2      GLY  67 -12.942   4.608   3.698
  492    HA3  GLY  67           HA3      GLY  67 -11.320   5.287   3.834
  493    H    LYS  68           H        LYS  68 -11.540   5.935   5.972
  494    HA   LYS  68           HA       LYS  68 -13.801   7.459   6.964
  495    HB2  LYS  68           HB2      LYS  68 -11.055   6.839   8.159
  496    HB3  LYS  68           HB3      LYS  68 -12.368   7.644   9.027
  497    HG2  LYS  68           HG2      LYS  68 -13.831   5.668   8.689
  498    HG3  LYS  68           HG3      LYS  68 -12.499   4.822   7.877
  499    HD2  LYS  68           HD2      LYS  68 -11.131   4.994   9.943
  500    HD3  LYS  68           HD3      LYS  68 -12.466   5.841  10.757
  501    HE2  LYS  68           HE2      LYS  68 -13.939   3.863  10.393
  502    HE3  LYS  68           HE3      LYS  68 -12.618   3.020   9.580
  503    HZ1  LYS  68           HZ1      LYS  68 -12.805   2.346  11.896
  504    HZ2  LYS  68           HZ2      LYS  68 -11.371   3.091  11.676
  505    HZ3  LYS  68           HZ3      LYS  68 -12.599   3.874  12.427
  506    H    ARG  69           H        ARG  69 -13.284   9.579   8.209
  507    HA   ARG  69           HA       ARG  69 -12.456  11.559   6.276
  508    HB2  ARG  69           HB2      ARG  69 -12.939  11.838   9.280
  509    HB3  ARG  69           HB3      ARG  69 -12.790  13.170   8.146
  510    HG2  ARG  69           HG2      ARG  69 -15.020  11.089   8.167
  511    HG3  ARG  69           HG3      ARG  69 -15.128  12.756   8.729
  512    HD2  ARG  69           HD2      ARG  69 -14.637  13.545   6.389
  513    HD3  ARG  69           HD3      ARG  69 -14.618  11.866   5.856
  514    HE   ARG  69           HE       ARG  69 -16.895  11.693   6.042
  515   HH11  ARG  69          HH11      ARG  69 -15.929  14.860   7.361
  516   HH12  ARG  69          HH12      ARG  69 -17.535  15.490   7.389
  517   HH21  ARG  69          HH21      ARG  69 -19.022  12.539   6.080
  518   HH22  ARG  69          HH22      ARG  69 -19.328  14.143   6.639
  519    H    LYS  70           H        LYS  70 -10.690   9.842   8.818
  520    HA   LYS  70           HA       LYS  70  -8.446  11.596   8.994
  521    HB2  LYS  70           HB2      LYS  70  -8.823   9.795  10.584
  522    HB3  LYS  70           HB3      LYS  70  -8.650   8.569   9.331
  523    HG2  LYS  70           HG2      LYS  70  -6.378  10.511   9.753
  524    HG3  LYS  70           HG3      LYS  70  -6.646   9.301  10.997
  525    HD2  LYS  70           HD2      LYS  70  -6.266   8.615   8.049
  526    HD3  LYS  70           HD3      LYS  70  -4.938   8.709   9.181
  527    HE2  LYS  70           HE2      LYS  70  -7.324   6.815   9.472
  528    HE3  LYS  70           HE3      LYS  70  -5.786   6.390   8.720
  529    HZ1  LYS  70           HZ1      LYS  70  -5.806   5.672  10.997
  530    HZ2  LYS  70           HZ2      LYS  70  -4.682   6.838  10.844
  531    HZ3  LYS  70           HZ3      LYS  70  -6.117   7.168  11.567
  532    H    GLU  71           H        GLU  71  -6.544  11.695   7.830
  533    HA   GLU  71           HA       GLU  71  -6.819  11.509   5.095
  534    HB2  GLU  71           HB2      GLU  71  -4.198  11.710   6.644
  535    HB3  GLU  71           HB3      GLU  71  -4.459  12.125   4.952
  536    HG2  GLU  71           HG2      GLU  71  -4.624  14.211   5.812
  537    HG3  GLU  71           HG3      GLU  71  -6.320  13.760   5.964
  538    H    GLY  72           H        GLY  72  -7.166   9.679   4.012
  539    HA2  GLY  72           HA2      GLY  72  -4.937   7.754   3.743
  540    HA3  GLY  72           HA3      GLY  72  -6.580   7.140   4.047
  541    H    ILE  73           H        ILE  73  -5.330   9.912   2.136
  542    HA   ILE  73           HA       ILE  73  -7.438   9.653   0.183
  543    HB   ILE  73           HB       ILE  73  -4.990  11.449   0.411
  544   HG12  ILE  73          HG12      ILE  73  -6.579  13.266   0.785
  545   HG13  ILE  73          HG13      ILE  73  -7.952  12.179   0.593
  546   HG21  ILE  73          HG21      ILE  73  -5.518  11.193  -1.993
  547   HG22  ILE  73          HG22      ILE  73  -7.215  11.618  -1.662
  548   HG23  ILE  73          HG23      ILE  73  -5.920  12.804  -1.404
  549   HD11  ILE  73          HD11      ILE  73  -5.951  12.003   2.860
  550   HD12  ILE  73          HD12      ILE  73  -7.485  12.899   2.916
  551   HD13  ILE  73          HD13      ILE  73  -7.529  11.149   2.708
  552    H    ILE  74           H        ILE  74  -7.349   8.523  -1.770
  553    HA   ILE  74           HA       ILE  74  -4.981   6.823  -2.236
  554    HB   ILE  74           HB       ILE  74  -7.759   6.856  -3.472
  555   HG12  ILE  74          HG12      ILE  74  -7.814   6.188  -1.127
  556   HG13  ILE  74          HG13      ILE  74  -8.229   4.865  -2.199
  557   HG21  ILE  74          HG21      ILE  74  -5.462   4.901  -3.906
  558   HG22  ILE  74          HG22      ILE  74  -7.145   4.624  -4.407
  559   HG23  ILE  74          HG23      ILE  74  -6.229   5.946  -5.119
  560   HD11  ILE  74          HD11      ILE  74  -5.553   5.224  -0.763
  561   HD12  ILE  74          HD12      ILE  74  -6.840   4.090  -0.337
  562   HD13  ILE  74          HD13      ILE  74  -5.962   3.877  -1.855
  563    H    HIS  75           H        HIS  75  -3.403   7.695  -3.536
  564    HA   HIS  75           HA       HIS  75  -4.163   9.802  -5.496
  565    HB2  HIS  75           HB2      HIS  75  -1.486   8.958  -4.333
  566    HB3  HIS  75           HB3      HIS  75  -1.677  10.105  -5.654
  567    HD1  HIS  75           HD1      HIS  75  -2.587   9.854  -1.878
  568    HD2  HIS  75           HD2      HIS  75  -2.296  12.582  -5.073
  569    HE1  HIS  75           HE1      HIS  75  -2.798  12.183  -0.868
  570    H    THR  76           H        THR  76  -4.301   9.299  -7.618
  571    HA   THR  76           HA       THR  76  -2.725   7.033  -8.682
  572    HB   THR  76           HB       THR  76  -5.579   7.583  -9.601
  573    HG1  THR  76           HG1      THR  76  -5.878   6.931  -7.486
  574   HG21  THR  76          HG21      THR  76  -4.315   6.348 -11.159
  575   HG22  THR  76          HG22      THR  76  -3.610   5.290  -9.912
  576   HG23  THR  76          HG23      THR  76  -5.336   5.173 -10.293
  577    H    LEU  77           H        LEU  77  -1.888   7.491 -10.788
  578    HA   LEU  77           HA       LEU  77  -2.394  10.240 -11.777
  579    HB2  LEU  77           HB2      LEU  77  -0.066   9.569 -11.703
  580    HB3  LEU  77           HB3      LEU  77  -0.426   8.083 -12.604
  581    HG   LEU  77           HG       LEU  77  -1.159   9.527 -14.549
  582   HD11  LEU  77          HD11      LEU  77  -0.322  11.886 -14.571
  583   HD12  LEU  77          HD12      LEU  77  -1.631  11.652 -13.415
  584   HD13  LEU  77          HD13      LEU  77   0.051  11.746 -12.837
  585   HD21  LEU  77          HD21      LEU  77   1.034   8.473 -14.489
  586   HD22  LEU  77          HD22      LEU  77   1.127  10.063 -15.264
  587   HD23  LEU  77          HD23      LEU  77   1.702   9.861 -13.591
  588    H    ILE  78           H        ILE  78  -3.762  10.579 -13.415
  589    HA   ILE  78           HA       ILE  78  -4.631   8.310 -15.066
  590    HB   ILE  78           HB       ILE  78  -6.078  10.719 -13.993
  591   HG12  ILE  78          HG12      ILE  78  -8.004   9.098 -13.947
  592   HG13  ILE  78          HG13      ILE  78  -6.925   7.833 -14.521
  593   HG21  ILE  78          HG21      ILE  78  -6.383  11.256 -16.222
  594   HG22  ILE  78          HG22      ILE  78  -6.580   9.533 -16.724
  595   HG23  ILE  78          HG23      ILE  78  -7.838  10.353 -15.790
  596   HD11  ILE  78          HD11      ILE  78  -7.315   7.800 -12.082
  597   HD12  ILE  78          HD12      ILE  78  -5.602   8.032 -12.472
  598   HD13  ILE  78          HD13      ILE  78  -6.587   9.432 -11.968
  599    H    VAL  79           H        VAL  79  -4.357   8.656 -17.340
  600    HA   VAL  79           HA       VAL  79  -3.410  11.260 -18.272
  601    HB   VAL  79           HB       VAL  79  -2.008   8.652 -18.946
  602   HG11  VAL  79          HG11      VAL  79  -1.380  11.518 -19.778
  603   HG12  VAL  79          HG12      VAL  79  -0.365  10.102 -20.124
  604   HG13  VAL  79          HG13      VAL  79  -1.971  10.221 -20.839
  605   HG21  VAL  79          HG21      VAL  79  -1.382   9.266 -16.719
  606   HG22  VAL  79          HG22      VAL  79  -0.026   9.698 -17.771
  607   HG23  VAL  79          HG23      VAL  79  -1.116  10.962 -17.181
  608    H    ASP  80           H        ASP  80  -4.445  11.810 -20.145
  609    HA   ASP  80           HA       ASP  80  -6.163  11.753 -21.597
  610    HB2  ASP  80           HB2      ASP  80  -4.330  10.766 -22.907
  611    HB3  ASP  80           HB3      ASP  80  -4.875   9.148 -22.454
  612    H    ASN  81           H        ASN  81  -6.944  10.944 -19.112
  613    HA   ASN  81           HA       ASN  81  -8.614  10.084 -17.912
  614    HB2  ASN  81           HB2      ASN  81 -10.022  11.016 -19.680
  615    HB3  ASN  81           HB3      ASN  81  -9.983   9.477 -20.530
  616   HD21  ASN  81          HD22      ASN  81 -10.804  10.743 -17.167
  617   HD22  ASN  81          HD21      ASN  81 -12.209   9.729 -17.021
  618    H    ARG  82           H        ARG  82  -6.459   8.054 -19.339
  619    HA   ARG  82           HA       ARG  82  -7.745   5.573 -18.418
  620    HB2  ARG  82           HB2      ARG  82  -5.163   6.201 -19.945
  621    HB3  ARG  82           HB3      ARG  82  -5.442   4.652 -19.164
  622    HG2  ARG  82           HG2      ARG  82  -6.119   4.364 -21.376
  623    HG3  ARG  82           HG3      ARG  82  -7.581   4.441 -20.362
  624    HD2  ARG  82           HD2      ARG  82  -8.062   6.682 -21.135
  625    HD3  ARG  82           HD3      ARG  82  -6.514   6.762 -22.015
  626    HE   ARG  82           HE       ARG  82  -7.895   4.553 -23.024
  627   HH11  ARG  82          HH21      ARG  82  -8.363   8.068 -22.861
  628   HH12  ARG  82          HH22      ARG  82  -9.398   8.146 -24.250
  629   HH21  ARG  82          HH11      ARG  82  -9.243   4.643 -24.899
  630   HH22  ARG  82          HH12      ARG  82  -9.904   6.145 -25.438
  631    H    GLU  83           H        GLU  83  -6.822   4.358 -16.757
  632    HA   GLU  83           HA       GLU  83  -5.626   6.065 -14.703
  633    HB2  GLU  83           HB2      GLU  83  -7.681   4.974 -14.160
  634    HB3  GLU  83           HB3      GLU  83  -7.007   3.371 -14.555
  635    HG2  GLU  83           HG2      GLU  83  -5.362   3.652 -12.700
  636    HG3  GLU  83           HG3      GLU  83  -6.062   5.245 -12.375
  637    H    ILE  84           H        ILE  84  -3.612   5.808 -13.891
  638    HA   ILE  84           HA       ILE  84  -1.869   3.721 -15.053
  639    HB   ILE  84           HB       ILE  84  -1.138   6.542 -14.170
  640   HG12  ILE  84          HG12      ILE  84  -2.547   6.803 -16.090
  641   HG13  ILE  84          HG13      ILE  84  -0.877   7.137 -16.473
  642   HG21  ILE  84          HG21      ILE  84   0.457   4.397 -15.609
  643   HG22  ILE  84          HG22      ILE  84   0.970   6.087 -15.355
  644   HG23  ILE  84          HG23      ILE  84   0.723   5.023 -13.970
  645   HD11  ILE  84          HD11      ILE  84  -2.359   4.589 -17.225
  646   HD12  ILE  84          HD12      ILE  84  -1.988   5.945 -18.297
  647   HD13  ILE  84          HD13      ILE  84  -0.669   4.958 -17.632
  648    HA   PRO  85           HA       PRO  85  -1.719   2.825 -10.569
  649    HB2  PRO  85           HB2      PRO  85  -0.522   0.373 -10.666
  650    HB3  PRO  85           HB3      PRO  85  -2.246   0.633 -11.082
  651    HG2  PRO  85           HG2      PRO  85   0.121   0.449 -12.969
  652    HG3  PRO  85           HG3      PRO  85  -1.453  -0.396 -13.095
  653    HD2  PRO  85           HD2      PRO  85  -0.906   1.917 -14.457
  654    HD3  PRO  85           HD3      PRO  85  -2.552   1.564 -13.827
  655    H    GLU  86           H        GLU  86   0.002   2.810  -9.005
  656    HA   GLU  86           HA       GLU  86   2.365   4.274  -9.550
  657    HB2  GLU  86           HB2      GLU  86   1.248   2.694  -7.270
  658    HB3  GLU  86           HB3      GLU  86   2.998   2.915  -7.289
  659    HG2  GLU  86           HG2      GLU  86   2.749   5.318  -7.607
  660    HG3  GLU  86           HG3      GLU  86   0.983   5.170  -7.509
  661    H    ILE  87           H        ILE  87   4.552   3.586  -9.412
  662    HA   ILE  87           HA       ILE  87   5.247   1.334 -11.031
  663    HB   ILE  87           HB       ILE  87   7.574   1.802 -10.210
  664   HG12  ILE  87          HG12      ILE  87   6.476   4.211  -8.802
  665   HG13  ILE  87          HG13      ILE  87   6.822   2.718  -7.948
  666   HG21  ILE  87          HG21      ILE  87   6.073   4.205 -11.291
  667   HG22  ILE  87          HG22      ILE  87   7.807   3.853 -11.485
  668   HG23  ILE  87          HG23      ILE  87   6.609   2.801 -12.241
  669   HD11  ILE  87          HD11      ILE  87   9.177   2.766  -8.677
  670   HD12  ILE  87          HD12      ILE  87   8.895   4.306  -9.515
  671   HD13  ILE  87          HD13      ILE  87   8.738   4.209  -7.751
  672    H    ALA  88           H        ALA  88   6.479  -0.523 -10.464
  673    HA   ALA  88           HA       ALA  88   6.572  -1.362  -7.647
  674    HB1  ALA  88           HB1      ALA  88   5.834  -3.646  -8.262
  675    HB2  ALA  88           HB2      ALA  88   4.529  -2.450  -8.466
  676    HB3  ALA  88           HB3      ALA  88   5.405  -3.076  -9.887
  677    H    SER  89           H        SER  89   8.761  -1.195  -7.554
  678    HA   SER  89           HA       SER  89  10.545  -1.885  -9.668
  679    HB2  SER  89           HB2      SER  89  11.156  -1.805  -6.688
  680    HB3  SER  89           HB3      SER  89  12.294  -1.605  -8.029
  681    HG   SER  89           HG       SER  89  11.647   0.441  -7.119